data_shelxl _audit_creation_method SHELXL-2013 _chemical_name_systematic ; 'selenium dicyanide difluoride tetrahydrofurane-solvate' ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C10 H0 F2 N2 O2 Se' _chemical_formula_weight 297.08 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Se' 'Se' -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system orthorhombic _space_group_IT_number 62 _space_group_name_H-M_alt 'P n m a' _space_group_name_Hall '-P 2ac 2n' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x, y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z-1/2' 'x, -y-1/2, z' _cell_length_a 13.717(18) _cell_length_b 20.45(4) _cell_length_c 4.804(5) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1348(3) _cell_formula_units_Z 4 _cell_measurement_temperature 133(2) _cell_measurement_reflns_used 418 _cell_measurement_theta_min 7.970 _cell_measurement_theta_max 57.841 _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.464 _exptl_crystal_F_000 568 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.7 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.19 _exptl_absorpt_coefficient_mu 2.800 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type 'none' _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 133(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'sealed tube' _diffrn_measurement_device_type 'Bruker AXS Smart CCD' _diffrn_measurement_method 'omega scan' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 1299 _diffrn_reflns_av_unetI/netI 0.0690 _diffrn_reflns_av_R_equivalents 0.1082 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -3 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_theta_min 1.992 _diffrn_reflns_theta_max 30.529 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.431 _diffrn_measured_fraction_theta_full 0.483 _diffrn_reflns_Laue_measured_fraction_max 0.431 _diffrn_reflns_Laue_measured_fraction_full 0.483 _diffrn_reflns_point_group_measured_fraction_max 0.431 _diffrn_reflns_point_group_measured_fraction_full 0.483 _reflns_number_total 906 _reflns_number_gt 545 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'Smart (Bruker AXS)' _computing_cell_refinement 'Saint (Bruker AXS)' _computing_data_reduction 'Saint (Bruker AXS)' _computing_structure_solution 'SHELXS-2013 (Sheldrick, 2013)' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_molecular_graphics 'Ortep3v2 for Windows' _computing_publication_material 'publCIF (IUCR)' _refine_special_details ; ? ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.1558P)^2^] where P=(Fo^2^+2Fc^2^)/3 ; _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 906 _refine_ls_number_parameters 82 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1224 _refine_ls_R_factor_gt 0.0848 _refine_ls_wR_factor_ref 0.2176 _refine_ls_wR_factor_gt 0.1968 _refine_ls_goodness_of_fit_ref 0.933 _refine_ls_restrained_S_all 0.933 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Se1 Se 0.48990(9) 0.2500 0.5004(3) 0.0240(5) Uani 1 2 d S T P . . F1 F 0.3895(6) 0.2500 0.2521(18) 0.047(2) Uani 1 2 d S T P . . F2 F 0.5692(5) 0.2500 0.8048(19) 0.046(2) Uani 1 2 d S T P . . N1 N 0.3801(7) 0.1397(3) 0.778(2) 0.053(3) Uani 1 1 d . . . . . C1 C 0.4206(7) 0.1827(3) 0.680(2) 0.034(2) Uani 1 1 d . . . . . O1 O 0.5756(5) 0.1417(2) 0.3605(16) 0.0380(17) Uani 1 1 d . . . . . C2 C 0.6775(8) 0.1478(3) 0.277(2) 0.044(3) Uani 1 1 d . . . . . H2A H 0.7153 0.1684 0.4239 0.053 Uiso 1 1 calc R U . . . H2B H 0.6831 0.1741 0.1098 0.053 Uiso 1 1 calc R U . . . C3 C 0.5403(8) 0.0795(3) 0.285(2) 0.045(3) Uani 1 1 d . . . . . H3A H 0.4833 0.0837 0.1669 0.054 Uiso 1 1 calc R U . . . H3B H 0.5224 0.0548 0.4499 0.054 Uiso 1 1 calc R U . . . C4 C 0.7124(8) 0.0805(4) 0.226(3) 0.058(3) Uani 1 1 d . . . . . H4A H 0.7620 0.0796 0.0821 0.070 Uiso 1 1 calc R U . . . H4B H 0.7385 0.0610 0.3944 0.070 Uiso 1 1 calc R U . . . C5 C 0.6209(8) 0.0460(4) 0.133(3) 0.060(3) Uani 1 1 d . . . . . H5A H 0.6234 -0.0001 0.1807 0.072 Uiso 1 1 calc R U . . . H5B H 0.6123 0.0501 -0.0669 0.072 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Se1 0.0272(13) 0.0282(6) 0.0165(7) 0.000 0.0013(5) 0.000 F1 0.032(6) 0.099(5) 0.011(6) 0.000 0.001(3) 0.000 F2 0.034(6) 0.062(4) 0.044(7) 0.000 -0.016(4) 0.000 N1 0.071(8) 0.043(4) 0.045(8) 0.004(3) 0.025(5) -0.017(4) C1 0.034(7) 0.032(4) 0.035(7) -0.003(3) 0.004(4) 0.004(3) O1 0.039(5) 0.028(3) 0.046(6) -0.008(2) 0.009(3) -0.003(3) C2 0.039(9) 0.042(4) 0.050(8) -0.002(4) 0.006(5) -0.009(4) C3 0.047(8) 0.032(4) 0.056(9) -0.011(3) -0.003(5) -0.002(4) C4 0.047(9) 0.053(5) 0.074(12) -0.011(5) -0.001(5) -0.002(5) C5 0.076(11) 0.054(6) 0.050(11) -0.020(5) 0.009(6) 0.000(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Se1 F1 1.822(8) . ? Se1 F2 1.822(8) . ? Se1 C1 1.882(8) 8_565 ? Se1 C1 1.882(8) . ? Se1 O1 2.595(6) . ? N1 C1 1.140(10) . ? O1 C3 1.409(9) . ? O1 C2 1.459(11) . ? C2 C4 1.479(12) . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 C5 1.494(14) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 C5 1.508(14) . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag F1 Se1 F2 167.5(4) . . ? F1 Se1 C1 85.3(4) . 8_565 ? F2 Se1 C1 86.2(4) . 8_565 ? F1 Se1 C1 85.3(4) . . ? F2 Se1 C1 86.2(4) . . ? C1 Se1 C1 94.0(5) 8_565 . ? F1 Se1 O1 100.0(2) . . ? F2 Se1 O1 86.4(2) . . ? C1 Se1 O1 166.3(3) 8_565 . ? C1 Se1 O1 74.0(3) . . ? N1 C1 Se1 176.4(8) . . ? C3 O1 C2 109.7(6) . . ? C3 O1 Se1 132.9(6) . . ? C2 O1 Se1 115.6(4) . . ? O1 C2 C4 106.0(7) . . ? O1 C2 H2A 110.5 . . ? C4 C2 H2A 110.5 . . ? O1 C2 H2B 110.5 . . ? C4 C2 H2B 110.5 . . ? H2A C2 H2B 108.7 . . ? O1 C3 C5 106.6(9) . . ? O1 C3 H3A 110.4 . . ? C5 C3 H3A 110.4 . . ? O1 C3 H3B 110.4 . . ? C5 C3 H3B 110.4 . . ? H3A C3 H3B 108.6 . . ? C5 C4 C2 102.5(9) . . ? C5 C4 H4A 111.3 . . ? C2 C4 H4A 111.3 . . ? C5 C4 H4B 111.3 . . ? C2 C4 H4B 111.3 . . ? H4A C4 H4B 109.2 . . ? C4 C5 C3 104.8(8) . . ? C4 C5 H5A 110.8 . . ? C3 C5 H5A 110.8 . . ? C4 C5 H5B 110.8 . . ? C3 C5 H5B 110.8 . . ? H5A C5 H5B 108.9 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C3 O1 C2 C4 -17.0(11) . . . . ? Se1 O1 C2 C4 176.3(7) . . . . ? C2 O1 C3 C5 -3.5(12) . . . . ? Se1 O1 C3 C5 160.1(7) . . . . ? O1 C2 C4 C5 29.7(12) . . . . ? C2 C4 C5 C3 -31.6(13) . . . . ? O1 C3 C5 C4 22.1(13) . . . . ? _refine_diff_density_max 0.737 _refine_diff_density_min -1.959 _refine_diff_density_rms 0.199 _shelxl_version_number 2013-2 _shelx_res_file ; TITL sf231 in Pna2(1) New: Pnma CELL 0.71073 13.7170 20.4500 4.8040 90.000 90.000 90.000 ZERR 4.00 0.0180 0.0400 0.0050 0.000 0.000 0.000 LATT 1 SYMM 1/2 - X, - Y, 1/2 + Z SYMM 1/2 + X, 1/2 - Y, 1/2 - Z SYMM - X, 1/2 + Y, - Z SFAC C H F N O SE UNIT 40 0 8 8 8 4 MERG 2 FMAP 2 PLAN 5 ACTA BIND SE1 O1 BOND $H CONF L.S. 16 WGHT 0.155800 FVAR 0.48142 SE1 6 0.489905 0.250000 0.500366 10.50000 0.02723 0.02818 = 0.01645 0.00000 0.00127 0.00000 F1 3 0.389534 0.250000 0.252085 10.50000 0.03224 0.09919 = 0.01106 0.00000 0.00079 0.00000 F2 3 0.569162 0.250000 0.804754 10.50000 0.03391 0.06154 = 0.04380 0.00000 -0.01621 0.00000 N1 4 0.380143 0.139734 0.777737 11.00000 0.07062 0.04291 = 0.04542 0.00415 0.02477 -0.01703 C1 1 0.420582 0.182697 0.679915 11.00000 0.03402 0.03179 = 0.03547 -0.00296 0.00421 0.00420 O1 5 0.575630 0.141735 0.360483 11.00000 0.03938 0.02849 = 0.04607 -0.00805 0.00884 -0.00300 C2 1 0.677488 0.147846 0.277342 11.00000 0.03915 0.04213 = 0.04999 -0.00151 0.00603 -0.00920 AFIX 23 H2A 2 0.715315 0.168363 0.423888 11.00000 -1.20000 H2B 2 0.683113 0.174058 0.109827 11.00000 -1.20000 AFIX 0 C3 1 0.540294 0.079513 0.285285 11.00000 0.04703 0.03230 = 0.05621 -0.01057 -0.00268 -0.00214 AFIX 23 H3A 2 0.483348 0.083652 0.166877 11.00000 -1.20000 H3B 2 0.522356 0.054811 0.449876 11.00000 -1.20000 AFIX 0 C4 1 0.712384 0.080466 0.226029 11.00000 0.04737 0.05252 = 0.07397 -0.01057 -0.00135 -0.00240 AFIX 23 H4A 2 0.761956 0.079593 0.082081 11.00000 -1.20000 H4B 2 0.738466 0.060993 0.394411 11.00000 -1.20000 AFIX 0 C5 1 0.620926 0.045966 0.132719 11.00000 0.07603 0.05407 = 0.04982 -0.02017 0.00859 -0.00027 AFIX 23 H5A 2 0.623372 -0.000081 0.180668 11.00000 -1.20000 H5B 2 0.612297 0.050081 -0.066920 11.00000 -1.20000 AFIX 0 HKLF 4 1.0 -1.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 REM sf231 in Pna2(1) New: Pnma REM R1 = 0.0848 for 545 Fo > 4sig(Fo) and 0.1224 for all 906 data REM 82 parameters refined using 0 restraints END WGHT 0.1498 0.0000 REM Highest difference peak 0.737, deepest hole -1.959, 1-sigma level 0.199 Q1 1 0.5239 0.2934 0.6816 11.00000 0.05 0.74 Q2 1 0.4868 0.2915 0.4978 11.00000 0.05 0.70 Q3 1 0.5153 0.2987 0.3126 11.00000 0.05 0.62 Q4 1 0.5387 0.1862 0.2211 11.00000 0.05 0.55 Q5 1 0.4421 0.2903 0.3363 11.00000 0.05 0.53 ; _shelx_res_checksum 78665 _shelx_hkl_file ; 0 0 2 2945.31 24.26 0 0 3 8.92 1.08 0 0 4 99.69 2.42 0 0 5 14.74 1.82 0 0 6 1998.66 14.64 0 0 7 9.12 2.18 0 0 8 1633.49 13.46 0 0 9 4.18 2.69 0 0 10 5116.32 33.34 0 0 12 2156.03 18.61 -1 0 2 9.96 0.94 1 0 2 7.06 0.85 -1 0 3 7.38 0.99 1 0 3 4.73 1.13 -1 0 4 7.11 1.23 1 0 4 4.58 1.38 -1 0 5 4.29 1.48 1 0 5 2.64 1.60 -1 0 6 3.57 1.59 1 0 6 -0.19 1.93 -1 0 7 2.54 1.95 1 0 7 -0.18 2.20 -1 0 8 -0.55 2.09 1 0 8 3.19 2.36 -1 0 9 0.48 2.55 1 0 9 2.34 2.83 -1 0 10 3.59 2.89 1 0 10 0.42 3.23 -1 0 11 1.54 3.26 1 0 11 -2.87 3.53 -1 0 12 2.14 3.71 -1 0 13 -3.09 4.09 -2 0 3 2603.51 21.85 -2 0 4 2905.31 20.90 2 0 4 2345.86 16.41 -2 0 5 61.35 2.43 2 0 5 69.64 3.42 -2 0 6 2017.13 14.48 2 0 6 1828.64 14.22 -2 0 7 85.68 3.44 2 0 7 78.89 4.21 -2 0 8 1985.80 14.93 2 0 8 1730.17 14.66 -2 0 9 20.02 2.76 2 0 9 22.37 3.51 -2 0 10 1558.15 13.57 -2 0 11 57.16 4.87 -2 0 12 1082.70 12.04 -2 0 13 110.66 6.23 -3 0 4 0.93 1.11 -3 0 5 1.17 1.33 -3 0 6 0.60 1.54 -3 0 7 -0.46 1.72 -3 0 8 0.66 1.98 -3 0 9 -1.12 2.22 -3 0 10 -0.74 2.63 -3 0 11 -0.77 2.91 -3 0 12 -0.01 3.30 -3 0 13 1.73 4.05 -4 0 5 7.11 1.44 -4 0 6 3613.66 24.19 -4 0 7 48.79 3.08 -4 0 8 216.35 4.37 -4 0 9 44.57 3.64 -4 0 10 76.92 4.18 -4 0 11 9.69 3.25 -4 0 12 1290.12 12.69 -5 0 7 0.41 1.63 -5 0 8 -0.51 1.88 -5 0 9 -0.87 2.17 -5 0 10 0.46 2.55 -5 0 11 -1.63 3.00 -5 0 12 -2.82 3.44 -6 0 8 536.85 6.00 -6 0 9 29.87 2.80 -6 0 10 383.39 6.03 0 1 6 4.82 2.64 0 1 7 35.67 4.31 0 1 8 1.62 2.94 0 1 9 0.28 3.42 0 1 10 -0.34 3.65 0 1 11 318.33 7.55 0 1 12 1.53 4.38 0 1 13 59.49 5.75 0 1 14 -3.32 4.87 0 1 15 289.01 9.43 0 1 16 0.14 5.71 0 1 17 -1.19 6.23 0 1 18 -2.96 6.61 0 1 19 39.21 7.86 0 1 20 4.27 7.89 0 1 21 -0.67 8.11 0 1 22 4.24 8.69 1 1 5 532.85 6.94 1 1 6 1575.23 13.28 -1 1 7 3.95 2.82 1 1 7 1.02 2.79 -1 1 8 2417.12 18.48 1 1 8 2193.85 17.62 -1 1 9 31.36 3.78 1 1 9 31.62 4.04 -1 1 10 1852.51 16.35 1 1 10 1686.36 15.77 -1 1 11 8.08 4.12 1 1 11 -0.07 4.15 -1 1 12 1338.02 14.53 1 1 12 1131.01 13.57 -1 1 13 41.39 5.44 1 1 13 45.79 5.74 -1 1 14 603.37 10.88 1 1 14 587.14 11.27 -1 1 15 62.99 6.42 1 1 15 47.66 6.34 -1 1 16 732.92 12.74 1 1 16 698.47 12.94 -1 1 17 2.10 6.12 1 1 17 3.04 6.54 -1 1 18 771.80 14.27 1 1 18 670.70 13.79 -1 1 19 8.80 7.12 1 1 19 10.41 7.42 -1 1 20 323.33 11.74 1 1 20 323.74 12.29 -1 1 21 9.61 8.09 1 1 21 4.30 8.32 -1 1 22 256.89 13.17 2 1 4 4725.74 29.96 2 1 5 5.03 2.48 2 1 6 2073.40 16.25 -2 1 7 26.74 3.23 2 1 7 16.70 3.38 -2 1 8 239.28 5.91 2 1 8 181.24 6.02 -2 1 9 2.06 3.27 2 1 9 2.80 3.64 -2 1 10 94.36 5.61 2 1 10 91.31 6.19 -2 1 11 10.88 4.04 2 1 11 13.06 4.47 -2 1 12 88.90 6.41 2 1 12 81.68 6.80 -2 1 13 42.20 5.25 2 1 13 43.94 5.69 -2 1 14 323.00 8.69 2 1 14 334.99 9.70 -2 1 15 27.63 5.64 2 1 15 34.97 6.45 -2 1 16 30.23 6.28 2 1 16 28.70 6.71 -2 1 17 -1.05 5.65 2 1 17 -4.54 6.52 -2 1 18 76.96 7.92 2 1 18 67.75 8.47 -2 1 19 -1.39 7.10 2 1 19 5.65 7.79 -2 1 20 4.59 7.68 2 1 20 -1.20 7.95 -2 1 21 -3.36 8.15 2 1 21 8.30 8.45 -2 1 22 68.62 9.98 3 1 2 2599.11 17.92 3 1 3 620.35 7.10 3 1 4 2922.63 20.23 3 1 5 798.98 8.89 3 1 6 2415.70 18.30 3 1 7 7.04 3.10 -3 1 8 1731.44 14.53 3 1 8 1236.08 12.69 -3 1 9 2.94 3.37 3 1 9 0.28 3.72 -3 1 10 1775.79 15.69 3 1 10 1370.51 14.44 -3 1 11 32.72 4.58 3 1 11 24.36 4.50 -3 1 12 1132.56 12.99 3 1 12 909.05 12.74 -3 1 13 175.73 7.39 3 1 13 141.22 7.93 -3 1 14 777.31 11.70 3 1 14 642.26 11.69 -3 1 15 215.94 8.50 3 1 15 203.66 9.32 -3 1 16 719.44 12.48 3 1 16 665.90 13.33 -3 1 17 1.65 6.02 3 1 17 14.81 7.00 -3 1 18 503.22 12.06 3 1 18 495.81 13.22 -3 1 19 6.83 7.00 3 1 19 10.82 7.79 -3 1 20 315.55 11.65 3 1 20 339.76 13.44 -3 1 21 16.80 8.25 -3 1 22 220.47 12.33 4 1 1 73.15 3.37 4 1 2 124.83 3.96 4 1 3 635.85 7.41 4 1 4 431.31 6.54 4 1 5 234.77 5.74 4 1 6 339.77 6.66 4 1 7 1.75 3.18 -4 1 8 204.33 5.79 4 1 8 120.90 5.83 -4 1 9 353.66 7.11 4 1 9 225.56 7.15 -4 1 10 91.06 5.92 4 1 10 58.93 6.13 -4 1 11 0.85 4.03 4 1 11 2.35 4.46 -4 1 12 64.22 6.10 4 1 12 64.32 6.07 -4 1 13 3.04 4.44 4 1 13 0.90 4.91 -4 1 14 17.95 5.04 4 1 14 11.73 5.56 -4 1 15 56.46 6.00 4 1 15 42.39 6.73 -4 1 16 9.42 5.69 4 1 16 5.52 6.92 -4 1 17 58.26 6.99 4 1 17 51.20 8.27 -4 1 18 0.93 6.14 4 1 18 6.44 7.39 -4 1 19 8.69 6.86 4 1 19 4.09 8.07 -4 1 20 21.46 7.61 -4 1 21 20.87 8.52 -4 1 22 27.68 8.95 5 1 0 3361.48 22.52 5 1 -1 211.81 3.69 5 1 1 182.11 4.15 5 1 2 1471.17 11.79 5 1 3 740.52 8.13 5 1 4 2868.07 20.31 5 1 5 186.93 5.45 5 1 6 1978.29 16.40 5 1 7 189.87 6.21 -5 1 8 1695.92 14.13 5 1 8 1046.11 12.17 -5 1 9 60.81 5.25 5 1 9 48.27 4.86 -5 1 10 1722.38 15.20 5 1 10 1096.42 13.31 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