#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/01/96/2019610.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2019610 loop_ _publ_author_name 'Kucera, Benjamin E.' 'Jilek, Robert E.' 'Brennessel, William W.' 'Ellis, John E.' _publ_section_title ; Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals ; _journal_coeditor_code WQ3068 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first ; ; _journal_paper_doi 10.1107/S2053229614015290 _journal_volume 70 _journal_year 2014 _chemical_formula_iupac '[V (C16 H10)2]' _chemical_formula_moiety 'C32 H20 V' _chemical_formula_sum 'C32 H20 V' _chemical_formula_weight 455.42 _chemical_name_common 7018 _chemical_name_systematic ; Bis[(1,2,3,3a,10a,10b-\h)-pyrene]vanadium(0) ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL2014 _cell_angle_alpha 90 _cell_angle_beta 100.306(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 9.4905(8) _cell_length_b 9.4969(8) _cell_length_c 11.4851(10) _cell_measurement_reflns_used 2538 _cell_measurement_temperature 173(2) _cell_measurement_theta_max 25.34 _cell_measurement_theta_min 2.57 _cell_volume 1018.45(15) _computing_cell_refinement 'SAINT (Bruker, 2003)' _computing_data_collection 'SMART (Bruker, 2003)' _computing_data_reduction 'SAINT (Bruker, 2003)' _computing_molecular_graphics 'SHELXTL (Sheldrick, 2008)' _computing_publication_material 'SHELXTL (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL2014 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _diffrn_ambient_temperature 173(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Bruker SMART CCD area-detector' _diffrn_measurement_method \w _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0411 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 10868 _diffrn_reflns_theta_full 26.373 _diffrn_reflns_theta_max 26.403 _diffrn_reflns_theta_min 2.569 _exptl_absorpt_coefficient_mu 0.507 _exptl_absorpt_correction_T_max 0.9511 _exptl_absorpt_correction_T_min 0.7857 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS; Sheldrick, 2008)' _exptl_crystal_colour black _exptl_crystal_density_diffrn 1.485 _exptl_crystal_description needle _exptl_crystal_F_000 470 _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.10 _refine_diff_density_max 0.299 _refine_diff_density_min -0.224 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.049 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 154 _refine_ls_number_reflns 2087 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.049 _refine_ls_R_factor_all 0.0578 _refine_ls_R_factor_gt 0.0380 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0442P)^2^+0.5242P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0912 _refine_ls_wR_factor_ref 0.1027 _reflns_number_gt 1599 _reflns_number_total 2087 _reflns_threshold_expression I>2\s(I) _cod_data_source_file wq3068sup1.cif _cod_data_source_block I _cod_database_code 2019610 _cod_database_fobs_code 2019610 #BEGIN Tags that were not found in dictionaries: _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. ; _shelx_estimated_absorpt_t_min 0.786 _shelx_estimated_absorpt_t_max 0.951 _shelx_hkl_file ; 1 0 0 2.10 0.83 1 0 0 2.03 0.62 -1 0 0 0.27 0.64 -1 0 0 2.29 0.94 2 0 0 3131.05 83.01 -2 0 0 3047.52 81.82 2 0 0 2981.32 82.73 -2 0 0 2992.47 83.56 -3 0 0 -0.44 1.42 -3 0 0 0.02 1.64 3 0 0 -1.98 1.45 4 0 0 105.85 5.89 -4 0 0 105.32 5.33 -4 0 0 95.00 5.81 4 0 0 97.00 3.92 -5 0 0 -2.08 2.07 5 0 0 0.85 2.16 5 0 0 -0.49 1.45 -5 0 0 -1.21 1.85 6 0 0 60.81 5.56 -6 0 0 65.04 5.07 -6 0 0 59.32 5.76 -7 0 0 -2.24 3.09 -7 0 0 0.83 2.77 7 0 0 -0.62 3.12 -8 0 0 7.76 4.55 8 0 0 1.85 3.84 -8 0 0 7.79 4.25 9 0 0 -1.84 4.19 -9 0 0 1.47 4.33 -9 0 0 -4.44 3.68 -10 0 0 120.35 10.47 10 0 0 133.08 10.68 11 0 0 -3.62 6.41 -11 0 0 -7.72 5.18 0 1 0 -0.03 0.75 0 1 0 0.73 0.78 0 -1 0 -0.31 0.50 0 -1 0 -1.09 0.66 -1 -1 0 1350.76 35.72 -1 1 0 1256.95 36.14 -1 -1 0 1323.54 35.82 -1 1 0 1291.01 35.90 1 1 0 1259.00 35.83 1 -1 0 1268.09 36.14 -1 -1 0 1317.82 36.06 -2 1 0 28.91 2.56 2 1 0 25.02 2.32 -2 -1 0 26.63 2.31 2 -1 0 25.88 2.13 -2 1 0 28.81 1.70 -2 1 0 21.44 2.27 -2 -1 0 24.29 2.43 -3 1 0 97.43 4.29 -3 -1 0 104.14 5.31 3 1 0 110.05 5.25 3 -1 0 103.62 4.68 -3 -1 0 108.45 5.31 3 -1 0 96.34 5.14 -3 1 0 99.60 5.30 4 -1 0 76.91 4.03 4 -1 0 64.39 4.69 -4 1 0 73.15 5.01 -4 -1 0 78.53 4.98 -4 -1 0 73.85 4.86 4 1 0 64.21 4.62 -4 1 0 80.12 4.21 -5 1 0 189.31 9.46 -5 -1 0 196.08 9.08 5 -1 0 188.04 9.24 -5 -1 0 193.20 9.37 5 1 0 194.56 9.23 -5 1 0 201.96 8.17 5 -1 0 204.73 7.81 6 1 0 4.07 3.31 -6 1 0 5.70 2.59 6 -1 0 3.92 3.22 -6 -1 0 4.47 2.64 -6 1 0 3.10 3.21 6 -1 0 4.57 2.47 -6 -1 0 1.83 2.87 7 -1 0 5.43 3.77 -7 1 0 20.50 4.51 -7 1 0 27.79 3.91 -7 -1 0 25.98 5.02 7 1 0 22.17 4.81 -7 -1 0 20.11 4.70 -8 1 0 186.19 11.69 8 -1 0 199.36 11.69 -8 1 0 201.81 9.91 -8 -1 0 198.32 11.90 8 1 0 190.98 11.45 -8 -1 0 200.16 10.97 9 1 0 30.08 6.46 -9 -1 0 38.26 7.77 9 -1 0 33.58 6.60 -9 -1 0 28.59 5.85 -9 1 0 44.74 7.33 -10 1 0 -3.44 4.74 10 1 0 -1.56 5.06 -10 -1 0 -6.75 5.56 -10 -1 0 -6.71 5.02 10 -1 0 -3.00 5.31 -11 -1 0 14.28 7.23 -11 1 0 21.38 6.91 11 1 0 18.44 7.60 11 -1 0 17.90 7.61 0 -2 0 69.47 3.04 0 -2 0 66.46 3.65 0 2 0 68.87 3.96 0 2 0 62.85 3.66 1 2 0 567.89 18.21 1 2 0 605.69 18.18 -1 2 0 631.50 18.40 1 -2 0 606.35 16.78 -1 -2 0 592.40 17.98 1 -2 0 596.63 18.59 -1 2 0 619.96 18.29 -1 -2 0 614.42 17.90 -2 -2 0 258.86 8.29 2 -2 0 268.54 9.58 -2 -2 0 257.58 9.57 -2 2 0 251.68 9.39 2 2 0 271.11 9.60 2 2 0 256.04 9.30 -2 2 0 260.09 9.50 -3 -2 0 4.02 2.07 -3 2 0 -0.84 1.67 -3 -2 0 3.22 1.09 -3 -2 0 0.88 1.87 3 -2 0 3.31 1.98 -3 2 0 1.46 1.85 -3 2 0 3.49 1.11 3 2 0 4.30 2.32 4 -2 0 1906.04 53.55 -4 2 0 1872.72 51.19 -4 -2 0 1859.59 53.83 -4 -2 0 1834.03 54.20 -4 2 0 1920.84 54.68 -4 2 0 1857.38 54.20 4 2 0 1827.50 53.85 -5 2 0 338.82 14.20 -5 -2 0 355.84 14.17 5 -2 0 363.44 13.08 -5 2 0 352.10 11.90 -5 -2 0 356.62 14.14 5 -2 0 347.38 14.19 5 2 0 363.22 14.09 -6 -2 0 -0.25 2.97 6 -2 0 3.37 2.73 -6 2 0 5.98 2.40 6 -2 0 3.54 2.76 -6 2 0 4.58 3.22 6 2 0 -0.88 2.95 -6 -2 0 2.20 3.09 -7 -2 0 47.80 5.53 -7 -2 0 44.76 5.33 -7 2 0 47.60 6.07 7 2 0 44.81 5.41 7 -2 0 54.09 6.08 8 2 0 10.67 5.28 -8 2 0 14.20 5.45 -8 -2 0 11.86 4.82 -8 -2 0 17.10 5.23 8 -2 0 6.85 4.62 9 -2 0 154.78 11.38 -9 2 0 149.42 11.17 -9 -2 0 175.77 11.78 -9 -2 0 155.17 10.52 9 2 0 166.89 11.50 10 -2 0 8.85 5.72 -10 2 0 4.29 5.64 -10 -2 0 2.36 5.18 -10 -2 0 11.67 5.22 10 2 0 -1.15 6.10 -11 2 0 101.84 10.82 11 2 0 108.38 11.38 -11 -2 0 97.10 9.97 -11 -2 0 119.88 11.18 11 -2 0 108.82 11.31 0 3 0 -2.28 1.64 0 3 0 1.68 2.27 0 -3 0 0.59 1.35 0 -3 0 2.56 1.85 1 -3 0 114.74 5.83 1 -3 0 107.18 4.06 -1 3 0 124.94 5.88 1 3 0 106.81 5.72 -1 3 0 105.11 5.36 -1 -3 0 111.45 5.35 1 3 0 111.99 5.53 -1 -3 0 106.13 5.26 2 -3 0 762.21 24.42 -2 -3 0 782.71 24.10 -2 -3 0 786.86 23.17 -2 3 0 771.56 24.15 -2 3 0 762.72 24.01 2 3 0 783.55 24.24 2 3 0 798.80 23.98 -3 -3 0 8.21 2.55 -3 3 0 4.11 2.51 -3 -3 0 7.05 1.82 3 -3 0 3.35 2.39 3 3 0 3.76 2.34 3 3 0 3.69 2.18 -3 3 0 5.58 2.51 -4 3 0 436.00 16.15 -4 -3 0 412.06 12.99 4 -3 0 450.91 16.02 4 3 0 455.72 16.41 -4 -3 0 466.48 16.63 -4 3 0 434.92 16.21 -4 -3 0 429.62 15.84 -4 3 0 444.51 12.88 -5 3 0 58.31 5.08 5 3 0 44.87 4.76 5 -3 0 45.63 4.52 -5 -3 0 45.30 4.72 -5 3 0 44.68 4.72 -5 -3 0 47.22 4.74 -5 3 0 49.29 2.97 6 3 0 264.21 12.36 -6 -3 0 241.82 12.06 6 -3 0 237.56 12.18 -6 3 0 257.92 12.53 6 -3 0 261.23 11.28 -6 -3 0 250.40 11.95 7 -3 0 3.73 3.42 7 3 0 -3.31 3.75 -7 3 0 1.94 3.81 -7 -3 0 -2.52 2.96 7 -3 0 0.91 3.51 -8 -3 0 132.18 9.68 -8 3 0 134.68 9.79 8 -3 0 147.07 10.34 -8 -3 0 129.52 9.75 8 3 0 138.74 9.86 9 3 0 415.02 19.76 -9 3 0 419.44 20.41 -9 -3 0 393.14 19.08 9 -3 0 421.79 19.98 -9 -3 0 434.78 19.81 10 3 0 6.78 6.29 -10 3 0 -4.16 5.31 -10 -3 0 2.21 5.68 10 -3 0 -6.35 6.48 -10 -3 0 4.14 5.69 11 3 0 9.16 7.18 -11 3 0 -10.34 6.42 -11 -3 0 -5.79 6.45 -11 -3 0 5.25 7.59 11 -3 0 4.25 7.66 0 -4 0 288.12 11.33 0 -4 0 285.86 9.97 0 4 0 278.08 11.25 0 4 0 271.37 11.12 1 -4 0 782.88 25.76 -1 -4 0 768.64 25.00 -1 -4 0 829.51 24.66 1 4 0 802.99 25.66 1 -4 0 789.66 22.94 1 4 0 816.69 25.49 -1 4 0 816.71 25.38 -1 4 0 796.15 25.10 -2 -4 0 502.54 16.93 2 -4 0 511.54 14.53 -2 4 0 513.59 17.72 2 4 0 505.93 17.91 -2 -4 0 521.89 17.63 2 -4 0 484.81 18.15 -2 4 0 536.53 17.94 2 4 0 538.94 17.64 -3 4 0 297.16 12.11 3 4 0 316.64 12.15 -3 -4 0 283.09 10.65 -3 -4 0 304.94 12.33 3 -4 0 273.72 12.26 3 4 0 302.65 12.45 -3 4 0 322.33 12.46 4 4 0 53.98 5.27 -4 4 0 48.48 4.60 4 4 0 46.33 4.61 4 -4 0 42.76 4.78 -4 -4 0 44.66 3.28 -4 4 0 46.49 4.60 -4 -4 0 55.34 5.08 5 -4 0 58.64 5.27 5 4 0 54.31 5.95 -5 4 0 61.69 5.59 5 4 0 56.98 5.49 -5 -4 0 63.92 5.75 -5 4 0 60.29 5.81 6 4 0 2.79 3.63 6 -4 0 9.21 3.96 6 4 0 14.67 4.75 -6 4 0 9.13 4.29 -6 4 0 13.51 4.49 -6 -4 0 5.03 3.64 -7 4 0 154.04 10.05 7 4 0 151.22 9.93 7 -4 0 143.59 9.17 -7 -4 0 157.59 10.24 -7 -4 0 138.31 9.43 7 -4 0 138.25 9.77 7 4 0 139.06 9.94 -8 4 0 47.39 6.56 8 4 0 47.99 6.84 -8 -4 0 46.52 7.92 -8 -4 0 49.07 6.90 8 -4 0 46.79 6.60 -9 4 0 184.36 12.90 -9 -4 0 203.15 13.04 9 -4 0 196.54 13.10 -9 -4 0 206.53 12.96 9 4 0 204.63 13.69 -10 -4 0 45.10 8.49 10 -4 0 36.93 7.93 -10 -4 0 38.28 8.07 -10 4 0 24.92 8.15 10 4 0 34.16 8.41 11 -4 0 91.77 11.18 0 5 0 -1.09 2.57 0 5 0 -0.97 2.74 0 -5 0 0.14 1.87 0 -5 0 2.75 2.87 -1 5 0 113.38 6.70 -1 -5 0 123.14 6.32 1 -5 0 119.09 7.22 1 5 0 116.56 7.23 -1 5 0 102.96 6.65 1 5 0 108.09 6.84 1 -5 0 98.15 4.83 -1 -5 0 99.75 6.47 2 5 0 8.80 3.58 -2 -5 0 5.07 2.66 2 5 0 7.88 3.76 -2 5 0 5.58 3.09 -2 -5 0 11.42 3.30 -2 5 0 6.11 2.74 2 -5 0 9.12 1.84 2 -5 0 7.55 3.70 -3 5 0 99.90 6.82 3 5 0 112.10 6.93 -3 5 0 108.09 6.76 -3 -5 0 97.09 6.80 3 -5 0 88.67 6.90 3 5 0 104.86 7.23 -3 -5 0 107.90 6.12 4 -5 0 282.85 12.97 4 5 0 270.79 12.11 4 5 0 269.34 12.83 -4 -5 0 249.12 12.29 -4 5 0 269.44 12.41 -4 -5 0 270.98 10.30 -4 5 0 255.10 12.11 -5 5 0 4.70 3.64 -5 5 0 12.23 4.16 5 5 0 1.11 3.40 5 -5 0 4.78 4.01 -5 -5 0 2.77 3.57 5 5 0 8.97 4.72 6 5 0 9.23 5.15 6 -5 0 16.60 4.83 6 5 0 4.81 4.42 -6 -5 0 7.52 4.06 -6 5 0 1.50 3.48 -6 5 0 -2.90 3.41 -7 -5 0 105.54 8.78 7 5 0 109.52 8.58 7 -5 0 102.50 8.58 -7 5 0 110.50 8.76 7 -5 0 122.28 8.69 7 5 0 116.63 9.52 8 -5 0 40.76 7.93 -8 5 0 25.31 7.52 -8 -5 0 30.03 6.31 8 5 0 32.01 7.25 8 5 0 36.03 6.78 -9 -5 0 20.04 7.29 9 5 0 11.41 6.29 9 -5 0 11.52 5.80 9 5 0 19.75 6.72 -9 5 0 11.00 6.24 10 5 0 16.16 6.62 10 -5 0 7.86 6.32 10 5 0 -0.13 6.65 -10 5 0 -11.71 7.16 -10 -5 0 5.20 6.05 0 -6 0 94.21 6.98 0 6 0 96.67 7.06 0 6 0 105.66 7.33 0 -6 0 109.87 6.01 -1 -6 0 0.13 2.48 1 -6 0 -0.50 3.62 1 6 0 -3.09 3.45 -1 -6 0 5.99 3.26 1 -6 0 1.41 2.13 1 6 0 0.93 3.29 -1 6 0 3.68 3.47 -1 6 0 3.16 2.91 2 6 0 264.21 12.83 -2 -6 0 257.43 11.64 2 -6 0 249.80 12.56 2 6 0 269.73 12.52 -2 -6 0 256.95 11.58 -2 6 0 274.78 12.44 -2 6 0 263.44 12.08 -3 6 0 100.75 7.34 3 6 0 97.85 7.68 3 -6 0 99.18 7.79 -3 6 0 105.87 7.34 -3 -6 0 94.34 6.93 -3 -6 0 93.68 6.52 3 6 0 92.68 7.21 4 6 0 16.69 5.28 4 -6 0 10.48 5.12 -4 6 0 15.37 4.14 4 6 0 16.28 4.93 -4 -6 0 13.90 3.64 -4 -6 0 13.38 4.13 -4 6 0 9.47 3.75 -5 6 0 41.41 5.59 5 6 0 47.29 6.25 5 -6 0 38.99 5.42 -5 -6 0 40.79 5.36 5 6 0 43.92 6.77 -5 6 0 56.34 6.00 6 6 0 0.53 4.71 -6 6 0 5.75 4.29 6 -6 0 11.57 5.24 -6 -6 0 4.75 3.99 -6 6 0 -1.40 4.29 -7 -6 0 52.39 7.49 7 6 0 61.85 9.25 -7 6 0 56.58 6.75 7 6 0 60.62 6.97 -7 6 0 52.17 6.94 7 -6 0 58.89 7.04 8 6 0 53.40 10.14 -8 -6 0 41.04 8.04 8 -6 0 44.04 8.34 8 -6 0 38.27 7.58 8 6 0 28.55 6.70 -8 6 0 29.81 7.03 9 6 0 20.88 8.58 -9 6 0 19.97 7.28 -9 -6 0 12.34 7.26 9 -6 0 28.65 7.70 9 6 0 21.24 8.77 -10 -6 0 63.07 11.15 10 6 0 58.89 10.53 -10 6 0 74.79 10.13 10 -6 0 52.14 9.49 10 6 0 76.91 12.03 0 7 0 -1.84 3.49 0 -7 0 -2.67 3.18 0 7 0 -1.61 3.53 -1 -7 0 246.60 11.26 -1 7 0 260.52 12.48 -1 -7 0 262.07 12.65 1 7 0 249.76 12.79 1 7 0 254.38 12.70 -1 7 0 248.17 12.38 1 -7 0 229.99 12.57 2 7 0 11.23 5.35 2 -7 0 14.89 5.06 -2 -7 0 10.97 4.03 -2 7 0 9.81 3.76 -2 -7 0 9.97 4.32 2 7 0 22.67 5.18 -2 7 0 12.57 4.39 3 7 0 0.29 4.37 -3 -7 0 -2.19 3.85 -3 7 0 -1.64 3.32 3 7 0 -0.84 3.95 3 -7 0 10.25 4.89 -3 -7 0 2.75 3.43 -3 7 0 -0.25 3.72 -4 7 0 -1.16 3.82 4 -7 0 3.75 4.52 4 7 0 5.75 5.02 4 7 0 2.29 4.51 -4 7 0 3.42 3.84 -4 -7 0 5.13 3.99 5 -7 0 53.59 6.89 5 7 0 45.29 6.58 -5 7 0 72.29 6.89 5 7 0 46.17 6.44 -5 -7 0 54.50 6.64 -5 7 0 48.39 6.25 6 7 0 50.48 8.19 -6 7 0 43.12 6.28 -6 7 0 44.21 7.20 6 7 0 54.80 7.11 -6 -7 0 49.44 8.19 6 -7 0 49.14 6.85 7 7 0 44.13 8.27 -7 7 0 56.72 9.06 -7 7 0 34.11 7.25 -7 -7 0 29.90 7.18 7 -7 0 59.42 9.69 7 7 0 37.67 7.80 8 7 0 137.17 11.52 8 -7 0 128.45 11.11 8 -7 0 128.14 11.35 -8 7 0 133.78 11.22 8 7 0 166.29 12.88 -8 -7 0 123.07 10.93 -9 7 0 0.47 6.48 9 7 0 6.29 8.70 9 7 0 2.89 7.42 9 -7 0 10.69 7.10 -9 -7 0 3.84 6.00 0 8 0 9.76 5.19 0 8 0 -2.55 4.03 0 -8 0 1.83 4.21 1 -8 0 47.99 6.08 1 8 0 44.83 7.41 -1 -8 0 51.94 6.43 1 8 0 41.09 6.06 -1 8 0 35.16 5.29 -1 8 0 41.88 6.42 -1 -8 0 43.68 5.18 2 8 0 27.85 6.59 -2 -8 0 24.66 5.11 2 8 0 36.32 7.20 -2 -8 0 29.01 6.55 2 -8 0 15.91 5.43 -2 8 0 27.17 5.89 -2 8 0 23.39 5.66 -3 8 0 573.49 22.67 -3 -8 0 595.90 22.85 3 -8 0 610.79 24.43 -3 -8 0 627.63 22.82 3 8 0 565.82 23.46 -3 8 0 574.89 23.36 3 8 0 525.53 23.23 -4 -8 0 34.50 6.61 4 8 0 22.11 7.22 -4 8 0 36.83 6.42 4 8 0 15.33 6.15 -4 8 0 22.95 5.71 4 -8 0 39.42 7.56 -5 8 0 2.54 5.29 5 8 0 8.01 5.85 -5 8 0 2.04 4.91 -5 -8 0 4.26 5.09 5 -8 0 0.52 5.21 6 8 0 -4.82 5.70 -6 8 0 0.74 5.69 -6 8 0 -2.50 4.05 -6 -8 0 -3.92 5.01 6 8 0 -1.08 5.31 6 -8 0 -3.65 4.94 -7 8 0 19.55 7.16 7 8 0 17.09 7.51 -7 8 0 -0.10 5.54 7 -8 0 5.89 6.96 -7 -8 0 12.60 6.72 8 8 0 -6.61 6.75 -8 -8 0 2.39 6.64 -8 8 0 9.19 6.47 -8 8 0 -0.14 6.44 8 -8 0 -1.29 7.72 0 -9 0 -1.22 4.76 0 9 0 -5.17 4.03 0 9 0 -2.28 4.62 1 9 0 16.73 5.99 -1 9 0 23.46 5.96 1 9 0 37.93 7.53 1 -9 0 25.71 6.82 -1 -9 0 10.41 6.10 -1 9 0 27.16 6.39 -2 -9 0 26.98 6.94 -2 -9 0 22.41 5.57 2 -9 0 28.58 6.84 -2 9 0 14.49 5.67 2 9 0 28.77 6.90 -2 9 0 30.76 7.10 -3 9 0 861.84 31.61 3 9 0 816.52 31.66 -3 9 0 815.32 30.35 -3 -9 0 859.82 30.59 3 -9 0 816.58 32.23 -3 -9 0 819.03 30.30 -4 9 0 125.41 9.40 4 9 0 118.58 10.50 4 -9 0 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2.64 4.98 0 4 11 2.28 6.14 0 4 -11 -1.34 6.63 0 4 11 2.08 7.16 1 -4 11 93.25 9.92 -1 4 -11 94.21 9.97 1 4 11 86.78 10.09 -1 -4 -11 89.05 9.41 1 4 11 104.68 9.51 -1 4 -11 80.52 8.36 -2 -4 -11 21.88 7.36 2 4 11 31.44 7.85 2 -4 11 35.95 8.98 2 4 11 39.86 8.96 -2 4 -11 39.24 8.41 3 -4 11 12.18 8.08 -3 4 -11 21.62 7.33 3 4 11 13.95 6.97 -3 -4 -11 23.71 6.93 4 -4 11 31.70 9.41 -4 -4 -11 22.18 7.83 4 4 11 27.32 9.47 -4 4 -11 14.87 7.95 -7 5 11 54.01 10.91 7 5 -11 39.08 11.43 -7 -5 11 56.55 10.26 6 -5 -11 2.70 6.62 -6 5 11 0.97 6.76 6 5 -11 -7.72 6.56 -6 -5 11 -8.46 5.28 -6 -5 11 0.62 6.84 5 -5 -11 -3.41 5.17 -5 5 11 6.15 7.09 -5 -5 11 2.40 6.79 5 5 -11 0.28 7.51 -5 -5 11 8.10 6.81 4 5 -11 121.15 13.36 -4 5 11 101.47 10.43 -4 -5 11 111.32 10.59 4 -5 -11 132.78 11.20 -4 -5 11 96.67 9.92 -3 -5 11 14.26 6.64 -3 -5 11 3.92 6.42 3 5 -11 19.71 7.95 -3 5 11 15.38 7.14 3 -5 -11 5.75 6.07 -3 5 11 5.80 4.81 2 -5 -11 270.87 16.26 -2 5 11 253.28 15.83 2 5 -11 232.25 15.98 -2 -5 11 239.37 15.25 -2 5 11 261.34 15.20 2 5 -11 231.22 14.14 1 5 -11 2.42 6.62 1 5 -11 -4.92 4.70 1 -5 -11 10.10 6.26 -1 5 11 1.40 6.37 -1 5 11 8.08 7.03 0 -5 -11 111.78 10.46 0 5 11 130.98 10.87 0 5 -11 126.51 11.74 0 -5 11 127.38 11.59 0 5 11 104.93 10.43 1 5 11 5.61 5.45 1 -5 11 -0.03 6.18 1 5 11 2.22 7.46 -1 -5 -11 -0.17 4.87 -1 5 -11 3.80 6.21 -2 5 -11 -2.24 5.66 -2 -5 -11 4.08 5.69 2 5 11 11.75 7.06 2 -5 11 2.56 6.74 2 5 11 -5.08 7.10 3 5 11 2.78 7.63 3 -5 11 25.45 9.22 -3 5 -11 27.15 8.50 -3 -5 -11 17.41 7.69 -4 -5 -11 -5.83 6.34 -4 5 -11 -4.30 6.20 4 5 11 -4.46 6.74 6 6 -11 9.83 9.00 -6 6 11 -0.03 7.38 -6 -6 11 -10.72 7.10 -5 6 11 29.32 8.85 -5 -6 11 40.14 9.02 5 6 -11 51.68 12.09 5 -6 -11 55.05 10.02 -5 -6 11 32.24 8.49 -4 -6 11 8.49 5.89 4 -6 -11 -3.17 6.07 -4 -6 11 0.49 6.67 4 6 -11 -1.14 7.83 -4 6 11 9.17 6.74 -4 6 11 1.66 6.59 -3 -6 11 -3.31 7.09 -3 6 11 6.74 6.22 3 6 -11 5.65 5.99 3 -6 -11 2.62 7.28 -2 6 11 12.22 7.69 -2 -6 11 7.54 7.19 -2 6 11 15.94 7.92 2 6 -11 8.79 6.24 2 -6 -11 -0.93 5.55 2 6 -11 -1.47 7.68 -1 6 11 1.10 5.42 -1 6 11 -7.61 6.35 -1 -6 11 5.61 6.25 1 -6 -11 1.68 6.07 0 -6 -11 12.70 6.57 0 6 11 -4.57 6.64 0 6 11 -7.76 5.86 0 6 -11 7.94 7.54 0 -6 11 6.81 7.20 -1 6 -11 8.57 8.14 1 -6 11 -10.19 6.49 1 6 11 3.01 6.45 -1 -6 -11 0.47 5.94 1 6 11 -0.40 6.86 -2 -6 -11 12.86 7.18 2 6 11 18.45 8.31 -2 6 -11 12.26 7.86 2 6 11 3.52 6.98 2 -6 11 25.26 8.78 3 6 11 85.58 10.64 4 7 -11 79.19 11.47 -4 -7 11 85.32 9.56 -4 7 11 58.56 11.14 -4 -7 11 77.89 9.59 -4 7 11 70.48 9.94 3 -7 -11 11.21 7.69 -3 7 11 2.88 7.85 -3 7 11 4.80 6.45 3 7 -11 -5.92 7.35 -3 -7 11 -2.29 7.24 -2 7 11 4.38 6.80 -2 -7 11 4.29 7.74 2 7 -11 3.57 7.19 2 -7 -11 1.02 6.17 -2 7 11 9.39 7.43 1 -7 -11 -6.51 7.20 1 7 -11 0.76 7.34 -1 -7 11 0.18 7.89 -1 7 11 0.25 7.28 -1 7 11 1.14 8.34 0 7 11 -9.61 7.49 0 7 -11 3.09 8.25 0 -7 11 7.24 6.95 0 7 11 -7.21 6.69 0 -7 -11 0.96 7.16 1 7 11 18.01 7.35 1 -7 11 9.52 8.43 1 7 11 24.87 9.48 -1 7 -11 -5.41 8.25 -1 -7 -11 12.81 7.94 -8 0 12 1.68 7.77 8 0 -12 21.71 8.26 7 0 -12 8.86 6.17 -7 0 12 5.48 7.25 6 0 -12 -0.80 5.98 -5 0 12 3.44 6.34 5 0 -12 -2.53 5.07 4 0 -12 141.23 11.78 -4 0 12 138.25 11.40 -3 0 12 3.49 5.94 3 0 -12 2.40 5.58 2 0 -12 1717.17 59.49 -2 0 12 1948.36 61.40 -1 0 12 -0.54 5.77 1 0 -12 -5.00 5.12 0 0 12 82.03 9.52 0 0 -12 84.25 9.02 1 0 12 0.96 6.09 -1 0 -12 -3.28 4.84 2 0 12 95.69 10.02 -2 0 -12 92.05 10.21 -3 0 -12 -6.16 6.45 -4 0 -12 23.06 8.95 -8 1 12 -6.77 8.21 -8 -1 12 -6.82 5.76 8 -1 -12 -0.63 6.11 -7 -1 12 -0.70 5.55 -7 1 12 11.41 7.35 7 -1 -12 8.16 6.34 6 1 -12 3.34 6.00 6 -1 -12 -3.82 4.89 -6 -1 12 1.15 5.53 -5 1 12 33.46 8.93 5 1 -12 45.21 7.92 -5 -1 12 32.97 8.59 5 -1 -12 42.79 8.42 -4 1 12 -4.68 5.79 4 1 -12 -1.39 4.76 4 -1 -12 0.72 5.45 -4 -1 12 5.17 6.75 3 -1 -12 278.59 16.56 -3 -1 12 277.12 16.60 3 1 -12 271.72 16.54 -3 1 12 286.46 16.79 2 1 -12 222.80 14.32 -2 1 12 232.05 14.85 -2 -1 12 209.28 13.93 2 -1 -12 204.69 13.78 -1 1 12 -6.43 5.71 1 1 -12 0.62 4.34 1 -1 -12 5.75 5.18 0 1 12 16.55 6.61 0 -1 -12 10.51 6.35 0 -1 12 21.48 7.57 0 1 -12 16.95 6.44 -1 -1 -12 17.79 6.61 -1 1 -12 22.85 6.33 1 -1 12 34.44 8.09 1 1 12 29.86 7.61 -2 -1 -12 8.94 5.62 -2 1 -12 2.08 6.25 2 1 12 12.10 6.93 2 -1 12 20.58 7.39 -3 -1 -12 69.79 9.10 -3 1 -12 55.33 9.77 3 1 12 84.84 9.86 3 -1 12 81.56 9.61 -4 -1 -12 6.20 7.48 4 -1 12 11.63 8.23 -4 1 -12 15.82 8.07 -7 2 12 25.52 8.79 7 -2 -12 14.04 8.02 7 2 -12 23.33 9.19 -7 -2 12 11.12 8.13 -7 -2 12 2.47 6.54 -6 -2 12 41.83 9.73 6 2 -12 34.20 9.80 -6 2 12 36.73 8.27 -6 -2 12 41.50 8.92 6 -2 -12 38.95 8.49 5 2 -12 12.96 6.53 -5 2 12 20.05 7.59 5 2 -12 3.34 7.13 -5 -2 12 6.51 6.69 5 -2 -12 6.32 5.72 -4 2 12 6.67 6.57 -4 -2 12 6.26 6.34 4 2 -12 5.18 5.26 4 -2 -12 6.34 6.15 3 2 -12 101.82 9.59 -3 2 12 102.45 10.04 -3 -2 12 99.93 10.18 3 -2 -12 98.23 9.91 -2 -2 12 3.31 6.25 2 2 -12 -4.52 5.14 2 -2 -12 7.32 6.08 -2 2 12 3.60 6.37 -1 2 12 60.87 9.76 -1 -2 12 41.19 8.71 1 2 -12 46.61 9.02 1 -2 -12 35.49 7.93 0 2 12 7.36 6.47 0 -2 -12 8.50 5.65 0 -2 12 2.66 5.97 0 2 -12 6.06 5.67 1 -2 12 13.25 7.11 1 2 12 3.61 6.15 -1 -2 -12 9.28 5.80 -1 2 -12 10.33 5.59 -2 -2 -12 59.71 8.24 -2 2 -12 62.65 8.91 2 2 12 56.02 8.49 2 -2 12 76.10 8.91 -3 2 -12 35.00 8.50 3 -2 12 45.72 9.63 3 2 12 44.37 9.41 -3 -2 -12 42.87 8.94 4 -2 12 7.53 7.96 -4 -2 -12 1.98 6.18 -7 -3 12 46.06 10.43 -7 3 12 26.75 9.33 7 3 -12 29.61 10.95 7 -3 -12 47.44 9.13 -7 -3 12 25.34 9.14 -6 -3 12 214.56 14.97 -6 3 12 214.92 15.49 6 -3 -12 221.40 15.33 -6 -3 12 215.50 14.75 6 3 -12 222.46 16.35 -5 -3 12 26.95 7.49 5 3 -12 28.72 8.40 -5 -3 12 31.70 8.54 -5 3 12 32.79 8.97 5 -3 -12 47.66 8.84 4 3 -12 59.13 9.79 -4 -3 12 63.03 10.37 4 -3 -12 55.76 9.57 4 3 -12 70.57 12.05 -4 3 12 52.99 9.27 3 3 -12 15.54 8.30 3 -3 -12 2.95 5.30 -3 3 12 2.10 5.86 -3 -3 12 4.65 6.55 3 3 -12 5.56 5.04 2 3 -12 6.77 6.45 2 3 -12 22.88 6.57 2 -3 -12 12.75 5.89 -2 3 12 17.19 7.84 -2 -3 12 12.56 7.31 -1 3 12 -0.36 5.80 1 3 -12 -3.50 5.21 -1 -3 12 3.29 5.85 1 3 -12 -5.67 5.42 1 -3 -12 4.82 5.86 0 3 -12 42.56 8.97 0 3 12 24.61 8.47 0 -3 12 36.42 8.82 0 -3 -12 45.51 8.52 0 3 -12 34.84 7.40 1 -3 12 28.39 8.45 -1 3 -12 26.90 7.47 1 3 12 21.94 8.04 -1 -3 -12 25.40 6.94 -1 3 -12 26.39 7.21 2 -3 12 -4.43 5.83 -2 -3 -12 -1.38 5.95 2 3 12 -7.24 6.97 -3 -3 -12 8.48 6.30 3 -3 12 -2.62 6.78 -6 -4 12 28.74 9.18 6 4 -12 22.64 9.18 -6 4 12 52.46 10.52 6 -4 -12 67.05 11.28 -6 -4 12 73.63 11.76 5 -4 -12 60.96 8.59 -5 -4 12 47.68 9.21 -5 4 12 62.30 10.48 -5 -4 12 58.71 8.24 5 4 -12 73.20 10.42 4 -4 -12 93.76 9.85 4 4 -12 94.85 12.27 4 4 -12 90.23 9.50 -4 4 12 69.50 9.20 -4 -4 12 86.91 9.36 3 4 -12 120.14 12.33 -3 -4 12 95.06 10.53 3 -4 -12 93.86 9.87 3 4 -12 87.75 9.25 -3 4 12 71.02 8.85 2 4 -12 44.10 9.44 2 -4 -12 18.97 7.61 2 4 -12 43.30 8.53 -2 -4 12 26.35 7.71 -2 4 12 27.11 9.01 -1 4 12 57.35 9.66 -1 -4 12 61.86 8.26 1 4 -12 76.60 11.83 1 4 -12 54.81 9.47 1 -4 -12 60.79 9.88 0 -4 12 58.23 10.72 0 4 12 51.87 9.42 0 4 -12 37.38 9.20 0 4 -12 30.95 8.77 0 -4 -12 46.74 9.13 1 4 12 8.22 7.30 -1 4 -12 13.49 7.12 1 -4 12 3.63 7.37 -1 -4 -12 8.36 6.81 -2 4 -12 13.87 7.81 2 4 12 0.72 7.06 2 -4 12 -2.86 7.06 -2 -4 -12 10.22 6.59 3 -4 12 37.67 10.36 3 4 12 51.06 10.43 -3 -4 -12 36.12 8.70 -3 4 -12 32.94 8.77 5 -5 -12 27.33 8.03 5 5 -12 31.32 10.93 -5 -5 12 39.79 9.73 -5 5 12 32.59 8.73 -5 -5 12 18.70 7.99 4 -5 -12 -2.51 6.54 -4 5 12 11.58 8.00 4 5 -12 -0.22 8.86 -4 -5 12 -0.05 6.26 -4 -5 12 -4.02 6.25 3 -5 -12 61.46 10.65 3 5 -12 50.07 11.31 3 5 -12 55.80 7.92 -3 5 12 51.61 10.26 -3 -5 12 48.99 9.90 2 5 -12 17.57 8.53 -2 5 12 45.58 9.77 2 5 -12 17.05 6.88 -2 -5 12 47.81 9.31 2 -5 -12 35.46 8.89 -1 5 12 2.64 7.08 -1 -5 12 -2.55 6.01 1 -5 -12 -6.96 5.82 1 5 -12 -4.71 5.83 1 5 -12 -4.61 6.63 0 5 12 -7.53 6.43 0 -5 12 4.28 6.15 0 5 -12 -0.74 6.57 1 5 12 25.11 8.99 1 5 12 4.87 7.62 1 -5 12 43.69 9.81 -1 5 -12 32.10 9.44 -1 -5 -12 20.04 7.81 2 -5 12 68.98 12.52 2 5 12 73.29 10.00 -2 -5 -12 55.97 10.15 2 5 12 29.93 9.83 -2 5 -12 63.71 9.22 -4 -6 12 30.45 10.02 4 6 -12 82.75 12.06 -4 -6 12 22.97 7.85 4 -6 -12 32.44 9.48 -4 6 12 57.86 11.46 3 -6 -12 29.02 9.66 -3 6 12 28.78 9.33 -3 -6 12 56.92 11.48 3 6 -12 39.82 10.09 3 6 -12 37.10 11.29 -2 -6 12 7.33 7.37 2 6 -12 17.28 9.10 2 -6 -12 17.82 7.62 2 6 -12 10.37 7.91 -2 6 12 6.97 8.10 1 -6 -12 5.32 7.40 -1 -6 12 5.84 7.94 -1 6 12 22.41 8.51 -1 6 12 3.47 7.03 1 6 -12 12.04 8.32 0 -6 12 26.22 8.65 0 6 12 18.59 8.48 0 -6 -12 38.80 9.39 0 6 -12 33.54 9.76 0 6 12 45.91 10.95 -6 0 13 20.78 8.97 6 0 -13 10.56 6.52 -5 0 13 68.19 9.45 5 0 -13 53.16 10.28 4 0 -13 10.46 5.78 -4 0 13 -4.35 5.34 -3 0 13 171.90 13.55 3 0 -13 184.99 13.90 2 0 -13 3.04 6.08 1 0 -13 18.55 7.88 -1 0 13 7.74 6.61 0 0 -13 4.51 5.67 -1 0 -13 31.82 8.46 1 0 13 51.03 10.36 2 0 13 -3.95 6.88 -2 0 -13 -6.81 6.79 3 0 13 215.88 15.37 -3 0 -13 212.96 15.66 -6 1 13 1.90 7.88 6 1 -13 -9.19 5.97 -6 -1 13 -4.15 6.89 6 -1 -13 3.43 7.12 5 -1 -13 8.44 6.40 -5 1 13 13.98 8.33 5 1 -13 7.26 6.59 -5 -1 13 1.57 7.23 4 -1 -13 78.27 9.85 4 1 -13 68.30 9.29 -4 -1 13 73.36 9.31 -4 1 13 76.35 9.78 -3 1 13 134.32 12.23 -3 -1 13 143.71 12.33 3 -1 -13 137.57 11.71 3 1 -13 110.04 11.15 2 -1 -13 10.81 6.88 -2 -1 13 1.15 6.32 2 1 -13 14.20 6.62 -2 1 13 25.06 8.31 1 -1 -13 19.40 7.27 1 1 -13 14.82 6.64 -1 1 13 24.26 7.86 -1 -1 13 17.90 7.39 0 1 13 29.42 8.48 0 1 -13 34.75 8.81 0 -1 -13 40.50 9.02 0 -1 13 22.28 8.25 1 -1 13 30.81 8.27 1 1 13 18.47 8.71 -1 -1 -13 30.28 8.46 -1 1 -13 27.46 8.70 2 1 13 63.75 11.35 -2 1 -13 99.65 11.33 2 -1 13 106.83 11.18 -2 -1 -13 103.43 10.94 -6 -2 13 75.73 10.23 -6 2 13 55.21 11.39 6 2 -13 70.02 11.39 6 -2 -13 64.02 11.05 -5 2 13 -0.15 7.47 5 2 -13 -0.12 5.85 5 -2 -13 -5.64 5.84 -5 -2 13 7.22 7.37 4 -2 -13 14.65 6.84 4 2 -13 11.47 6.36 -4 -2 13 25.12 8.03 -4 2 13 18.10 8.29 -3 2 13 -3.02 6.53 -3 -2 13 -4.67 6.52 3 -2 -13 -2.88 5.63 3 2 -13 -4.07 5.81 -2 2 13 44.32 9.47 2 -2 -13 44.45 9.69 -2 -2 13 40.33 9.75 2 2 -13 50.16 9.15 1 -2 -13 166.60 13.16 1 2 -13 173.37 13.59 -1 2 13 174.01 13.77 -1 -2 13 205.08 14.40 0 2 -13 -6.20 5.71 0 -2 13 -1.97 6.15 0 -2 -13 -4.01 5.53 0 2 13 12.00 7.74 1 2 13 6.08 7.68 -1 2 -13 5.04 6.66 -1 -2 -13 8.59 6.99 1 -2 13 12.36 7.75 -2 2 -13 9.74 7.49 -2 -2 -13 5.98 7.41 2 -2 13 9.67 7.19 2 2 13 10.68 7.30 5 -3 -13 77.55 10.10 5 3 -13 82.72 10.11 -5 -3 13 74.49 9.59 -5 3 13 74.58 10.35 4 -3 -13 1.13 6.85 4 3 -13 1.89 6.27 -4 -3 13 -3.56 6.10 -4 3 13 13.77 7.15 -3 -3 13 24.79 9.42 3 -3 -13 6.60 6.52 3 3 -13 20.90 7.54 -3 3 13 25.19 9.06 2 3 -13 11.05 7.91 2 -3 -13 5.18 5.91 -2 -3 13 6.72 6.78 -2 3 13 17.15 7.91 -1 3 13 27.32 7.96 -1 -3 13 17.85 7.53 1 3 -13 30.52 8.55 1 -3 -13 48.25 9.79 0 -3 -13 -3.81 6.05 0 3 -13 18.59 8.15 0 -3 13 7.22 6.47 0 3 13 -6.57 6.30 -1 -3 -13 3.87 6.46 -1 3 -13 18.54 8.31 1 -3 13 12.77 7.37 1 3 13 14.88 8.74 -2 -3 -13 5.94 6.90 2 -3 13 15.91 7.63 2 3 13 5.01 8.50 -4 -4 13 0.40 7.61 4 4 -13 1.45 6.87 4 -4 -13 9.13 6.89 4 4 -13 -4.30 6.32 -4 4 13 1.67 7.80 3 4 -13 22.91 7.84 -3 4 13 19.97 8.41 3 -4 -13 14.94 7.32 3 4 -13 25.39 9.58 -3 -4 13 25.74 8.08 -2 4 13 20.15 7.97 2 4 -13 -2.21 6.28 2 -4 -13 15.66 7.43 2 4 -13 10.75 7.74 -2 -4 13 19.57 7.78 -1 -4 13 -7.07 7.38 1 -4 -13 0.03 6.14 1 4 -13 -4.17 7.13 1 4 -13 7.67 6.44 -1 4 13 -1.94 7.41 0 4 -13 -7.42 6.44 0 -4 13 3.55 7.67 0 -4 -13 -5.07 5.54 0 4 -13 9.96 7.70 1 4 13 11.08 7.72 1 -4 13 -7.65 7.33 -1 -4 -13 16.49 7.52 2 5 -13 173.16 15.29 2 5 -13 170.85 13.96 2 -5 -13 182.49 15.03 -2 -5 13 158.92 13.72 -2 5 13 160.42 13.95 4 0 -14 18.85 8.34 -4 0 14 28.01 9.03 3 0 -14 -1.12 6.33 2 0 -14 3.86 7.38 1 0 -14 0.22 6.41 -1 0 14 -10.24 6.49 0 0 -14 71.75 9.71 0 0 14 68.63 12.13 -4 -1 14 -8.77 7.38 4 1 -14 1.90 6.53 4 -1 -14 -0.84 7.45 -4 1 14 9.44 8.92 3 -1 -14 -4.45 6.80 -3 -1 14 3.23 7.62 3 1 -14 -8.64 6.27 2 -1 -14 150.00 13.28 -2 -1 14 149.78 13.67 2 1 -14 151.22 13.51 -2 1 14 136.67 12.75 -1 -1 14 106.58 11.36 1 1 -14 119.88 11.98 -1 1 14 93.39 10.98 1 -1 -14 93.46 11.17 0 -1 14 0.12 8.17 0 -1 -14 7.09 7.44 0 1 14 9.73 8.84 0 1 -14 -3.95 6.91 -3 -2 14 17.22 8.80 3 -2 -14 20.20 7.05 3 2 -14 30.58 8.42 -3 2 14 11.88 8.09 -2 2 14 174.86 15.03 2 2 -14 203.44 15.16 -2 -2 14 176.04 14.44 2 -2 -14 171.39 14.31 1 2 -14 -4.11 5.97 -1 -2 14 -4.98 7.72 -1 2 14 -7.73 7.75 1 -2 -14 -3.26 6.51 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 41710 _shelx_res_file ; TITL 07018 in P2(1)/n CELL 0.71073 9.4905 9.4969 11.4851 90.000 100.306 90.000 ZERR 2.00 0.0008 0.0008 0.0010 0.000 0.002 0.000 LATT 1 SYMM 0.5-X, 0.5+Y, 0.5-Z SFAC C H V UNIT 64 40 2 TEMP -100 SIZE 0.50 0.15 0.10 L.S. 8 BOND $H FMAP 2 PLAN 10 ACTA 52.745 CONF LIST 4 HTAB WGHT 0.044200 0.524200 FVAR 0.83477 V1 3 0.294518 0.598308 0.464493 10.50000 0.01894 0.01988 = 0.01999 -0.00193 0.00195 0.00118 C1 1 0.129344 0.429937 0.422259 11.00000 0.02290 0.03861 = 0.03386 -0.01024 0.00681 -0.00511 AFIX 43 H1 2 0.055758 0.403335 0.464096 11.00000 -1.20000 AFIX 0 C2 1 0.102801 0.535252 0.336148 11.00000 0.02401 0.04080 = 0.03607 -0.01134 -0.00457 0.00661 AFIX 43 H2 2 0.011163 0.578505 0.319100 11.00000 -1.20000 AFIX 0 C3 1 0.210343 0.577175 0.275075 11.00000 0.03405 0.02908 = 0.02714 -0.00242 -0.00540 0.00665 AFIX 43 H3 2 0.191888 0.650820 0.218417 11.00000 -1.20000 AFIX 0 C4 1 0.346139 0.511783 0.296229 11.00000 0.02778 0.02215 = 0.02229 -0.00368 -0.00155 0.00008 C5 1 0.459398 0.549685 0.234401 11.00000 0.04006 0.02609 = 0.02347 0.00437 0.00348 -0.00306 AFIX 43 H5 2 0.443297 0.622261 0.176621 11.00000 -1.20000 AFIX 0 C6 1 0.587838 0.485173 0.256070 11.00000 0.03413 0.03364 = 0.02518 -0.00124 0.01085 -0.00800 AFIX 43 H6 2 0.659345 0.512812 0.212420 11.00000 -1.20000 AFIX 0 C7 1 0.619889 0.375881 0.343171 11.00000 0.02457 0.02592 = 0.02348 -0.00755 0.00387 -0.00214 C8 1 0.755341 0.310319 0.370011 11.00000 0.02586 0.04152 = 0.03111 -0.01102 0.00719 0.00295 AFIX 43 H8 2 0.828570 0.336403 0.327617 11.00000 -1.20000 AFIX 0 C9 1 0.782926 0.207637 0.458093 11.00000 0.03050 0.03617 = 0.03548 -0.00961 0.00030 0.01335 AFIX 43 H9 2 0.874652 0.164572 0.475217 11.00000 -1.20000 AFIX 0 C10 1 0.676578 0.167840 0.521168 11.00000 0.03967 0.02506 = 0.03030 -0.00244 -0.00290 0.00896 AFIX 43 H10 2 0.697074 0.098311 0.581284 11.00000 -1.20000 AFIX 0 C11 1 0.539066 0.229313 0.497002 11.00000 0.03158 0.01934 = 0.02371 -0.00344 0.00078 0.00098 C12 1 0.426109 0.191844 0.559789 11.00000 0.04180 0.02403 = 0.02606 0.00375 0.00475 -0.00412 AFIX 43 H12 2 0.443375 0.121264 0.619251 11.00000 -1.20000 AFIX 0 C13 1 0.296725 0.254071 0.536546 11.00000 0.03489 0.02975 = 0.02873 -0.00212 0.01146 -0.01068 AFIX 43 H13 2 0.224990 0.225746 0.579718 11.00000 -1.20000 AFIX 0 C14 1 0.263890 0.362481 0.448008 11.00000 0.02424 0.02473 = 0.02506 -0.00670 0.00378 -0.00487 C15 1 0.373630 0.403968 0.384590 11.00000 0.02242 0.01949 = 0.01929 -0.00423 0.00132 -0.00231 C16 1 0.511089 0.336301 0.408331 11.00000 0.02388 0.01895 = 0.01960 -0.00454 0.00146 -0.00126 HKLF 4 REM 07018 in P2(1)/n REM R1 = 0.0380 for 1599 Fo > 4sig(Fo) and 0.0578 for all 2087 data REM 154 parameters refined using 0 restraints END WGHT 0.0419 0.5465 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 0.299, deepest hole -0.224, 1-sigma level 0.048 Q1 1 0.5776 0.3756 0.3960 11.00000 0.05 0.30 Q2 1 0.3534 0.4390 0.3249 11.00000 0.05 0.27 Q3 1 0.3108 0.3682 0.4047 11.00000 0.05 0.27 Q4 1 0.5403 0.3036 0.4733 11.00000 0.05 0.25 Q5 1 0.6994 0.3743 0.3781 11.00000 0.05 0.23 Q6 1 0.4432 0.3779 0.3989 11.00000 0.05 0.22 Q7 1 0.4045 0.5511 0.2787 11.00000 0.05 0.22 Q8 1 0.5408 0.5510 0.2778 11.00000 0.05 0.22 Q9 1 0.2886 0.3227 0.5026 11.00000 0.05 0.21 Q10 1 0.2785 0.3000 0.4761 11.00000 0.05 0.21 ; _shelx_res_checksum 65832 _shelxl_version_number 2.014 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy V V1 0.29452(6) 0.59831(6) 0.46449(5) 0.01980(18) Uani d 0.5 C C1 0.1293(2) 0.4299(2) 0.42226(17) 0.0316(5) Uani d 1 H H1 0.0558 0.4033 0.4641 0.038 Uiso calc 1 C C2 0.1028(2) 0.5353(2) 0.33615(18) 0.0349(5) Uani d 1 H H2 0.0112 0.5785 0.3191 0.042 Uiso calc 1 C C3 0.2103(2) 0.5772(2) 0.27507(17) 0.0314(5) Uani d 1 H H3 0.1919 0.6508 0.2184 0.038 Uiso calc 1 C C4 0.34614(19) 0.51178(19) 0.29623(16) 0.0248(4) Uani d 1 C C5 0.4594(2) 0.5497(2) 0.23440(16) 0.0301(4) Uani d 1 H H5 0.4433 0.6223 0.1766 0.036 Uiso calc 1 C C6 0.5878(2) 0.4852(2) 0.25607(16) 0.0303(4) Uani d 1 H H6 0.6593 0.5128 0.2124 0.036 Uiso calc 1 C C7 0.61989(19) 0.37588(19) 0.34317(16) 0.0247(4) Uani d 1 C C8 0.7553(2) 0.3103(2) 0.37001(17) 0.0326(5) Uani d 1 H H8 0.8286 0.3364 0.3276 0.039 Uiso calc 1 C C9 0.7829(2) 0.2076(2) 0.45809(18) 0.0347(5) Uani d 1 H H9 0.8747 0.1646 0.4752 0.042 Uiso calc 1 C C10 0.6766(2) 0.1678(2) 0.52117(17) 0.0328(5) Uani d 1 H H10 0.6971 0.0983 0.5813 0.039 Uiso calc 1 C C11 0.53907(19) 0.22931(19) 0.49700(16) 0.0254(4) Uani d 1 C C12 0.4261(2) 0.1918(2) 0.55979(17) 0.0308(4) Uani d 1 H H12 0.4434 0.1213 0.6193 0.037 Uiso calc 1 C C13 0.2967(2) 0.2541(2) 0.53655(17) 0.0304(4) Uani d 1 H H13 0.2250 0.2257 0.5797 0.036 Uiso calc 1 C C14 0.26389(19) 0.36248(19) 0.44801(15) 0.0248(4) Uani d 1 C C15 0.37363(18) 0.40397(18) 0.38459(15) 0.0207(4) Uani d 1 C C16 0.51109(18) 0.33630(18) 0.40833(15) 0.0211(4) Uani d 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 V1 0.0189(3) 0.0199(3) 0.0200(3) 0.0012(2) 0.0019(2) -0.0019(2) C1 0.0229(9) 0.0386(12) 0.0339(11) -0.0051(8) 0.0068(8) -0.0102(9) C2 0.0240(10) 0.0408(12) 0.0361(11) 0.0066(9) -0.0046(8) -0.0113(9) C3 0.0341(10) 0.0291(11) 0.0271(10) 0.0066(8) -0.0054(8) -0.0024(8) C4 0.0278(10) 0.0222(9) 0.0223(9) 0.0001(7) -0.0016(7) -0.0037(7) C5 0.0401(11) 0.0261(10) 0.0235(10) -0.0031(8) 0.0035(8) 0.0044(8) C6 0.0341(11) 0.0336(11) 0.0252(10) -0.0080(9) 0.0108(8) -0.0012(8) C7 0.0246(9) 0.0259(10) 0.0235(9) -0.0021(7) 0.0039(7) -0.0075(7) C8 0.0259(10) 0.0415(12) 0.0311(10) 0.0030(9) 0.0072(8) -0.0110(9) C9 0.0305(10) 0.0362(11) 0.0355(11) 0.0133(9) 0.0003(9) -0.0096(9) C10 0.0397(12) 0.0251(10) 0.0303(10) 0.0090(8) -0.0029(9) -0.0024(8) C11 0.0316(10) 0.0193(9) 0.0237(9) 0.0010(7) 0.0008(8) -0.0034(7) C12 0.0418(11) 0.0240(10) 0.0261(10) -0.0041(8) 0.0048(8) 0.0037(8) C13 0.0349(10) 0.0298(10) 0.0287(10) -0.0107(9) 0.0115(8) -0.0021(8) C14 0.0242(9) 0.0247(10) 0.0251(9) -0.0049(7) 0.0038(7) -0.0067(7) C15 0.0224(8) 0.0195(9) 0.0193(8) -0.0023(7) 0.0013(7) -0.0042(7) C16 0.0239(9) 0.0190(9) 0.0196(8) -0.0013(7) 0.0015(7) -0.0045(7) 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' V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle C3 V1 C2 . . 37.00(7) C3 V1 C8 . 3_666 142.42(7) C2 V1 C8 . 3_666 113.68(7) C3 V1 C7 . 3_666 178.94(8) C2 V1 C7 . 3_666 143.36(8) C8 V1 C7 3_666 3_666 37.06(7) C3 V1 C16 . 3_666 142.17(8) C2 V1 C16 . 3_666 179.13(8) C8 V1 C16 3_666 3_666 66.87(7) C7 V1 C16 3_666 3_666 37.45(6) C3 V1 C9 . 3_666 112.63(8) C2 V1 C9 . 3_666 101.50(8) C8 V1 C9 3_666 3_666 36.61(7) C7 V1 C9 3_666 3_666 66.47(7) C16 V1 C9 3_666 3_666 78.53(7) C3 V1 C1 . . 66.47(8) C2 V1 C1 . . 36.68(8) C8 V1 C1 3_666 . 102.57(8) C7 V1 C1 3_666 . 114.33(7) C16 V1 C1 3_666 . 144.09(8) C9 V1 C1 3_666 . 114.24(8) C3 V1 C4 . . 37.22(7) C2 V1 C4 . . 66.73(7) C8 V1 C4 3_666 . 178.52(8) C7 V1 C4 3_666 . 143.26(7) C16 V1 C4 3_666 . 112.70(7) C9 V1 C4 3_666 . 142.08(8) C1 V1 C4 . . 78.61(7) C3 V1 C10 . 3_666 100.49(8) C2 V1 C10 . 3_666 113.15(8) C8 V1 C10 3_666 3_666 65.85(8) C7 V1 C10 3_666 3_666 78.45(7) C16 V1 C10 3_666 3_666 66.37(7) C9 V1 C10 3_666 3_666 36.41(7) C1 V1 C10 . 3_666 142.99(8) C4 V1 C10 . 3_666 112.67(8) C3 V1 C15 . . 66.94(7) C2 V1 C15 . . 78.50(7) C8 V1 C15 3_666 . 144.03(8) C7 V1 C15 3_666 . 113.95(7) C16 V1 C15 3_666 . 101.46(6) C9 V1 C15 3_666 . 179.29(8) C1 V1 C15 . . 66.17(7) C4 V1 C15 . . 37.27(6) C10 V1 C15 3_666 . 142.95(8) C3 V1 C14 . . 78.90(7) C2 V1 C14 . . 66.28(7) C8 V1 C14 3_666 . 114.55(8) C7 V1 C14 3_666 . 102.16(7) C16 V1 C14 3_666 . 114.21(7) C9 V1 C14 3_666 . 143.71(8) C1 V1 C14 . . 36.62(7) C4 V1 C14 . . 66.93(7) C10 V1 C14 3_666 . 179.37(8) C15 V1 C14 . . 36.93(6) C3 V1 C11 . 3_666 112.24(8) C2 V1 C11 . 3_666 142.10(8) C8 V1 C11 3_666 3_666 78.33(7) C7 V1 C11 3_666 3_666 66.95(7) C16 V1 C11 3_666 3_666 37.12(6) C9 V1 C11 3_666 3_666 65.92(7) C1 V1 C11 . 3_666 178.70(8) C4 V1 C11 . 3_666 100.47(7) C10 V1 C11 3_666 3_666 36.52(7) C15 V1 C11 . 3_666 113.65(7) C14 V1 C11 . 3_666 143.85(7) C2 C1 C14 . . 120.98(18) C2 C1 V1 . . 70.83(11) C14 C1 V1 . . 72.88(11) C2 C1 H1 . . 119.5 C14 C1 H1 . . 119.5 V1 C1 H1 . . 129.2 C3 C2 C1 . . 120.29(18) C3 C2 V1 . . 70.68(11) C1 C2 V1 . . 72.49(11) C3 C2 H2 . . 119.9 C1 C2 H2 . . 119.9 V1 C2 H2 . . 129.4 C2 C3 C4 . . 121.00(18) C2 C3 V1 . . 72.32(11) C4 C3 V1 . . 73.12(10) C2 C3 H3 . . 119.5 C4 C3 H3 . . 119.5 V1 C3 H3 . . 127.1 C3 C4 C15 . . 118.77(17) C3 C4 C5 . . 123.06(17) C15 C4 C5 . . 118.16(16) C3 C4 V1 . . 69.65(10) C15 C4 V1 . . 71.96(10) C5 C4 V1 . . 129.43(13) C6 C5 C4 . . 121.82(17) C6 C5 H5 . . 119.1 C4 C5 H5 . . 119.1 C5 C6 C7 . . 121.96(17) C5 C6 H6 . . 119.0 C7 C6 H6 . . 119.0 C8 C7 C16 . . 118.97(17) C8 C7 C6 . . 122.82(17) C16 C7 C6 . . 118.16(16) C8 C7 V1 . 3_666 71.07(10) C16 C7 V1 . 3_666 71.28(10) C6 C7 V1 . 3_666 127.29(13) C9 C8 C7 . . 120.78(18) C9 C8 V1 . 3_666 72.13(11) C7 C8 V1 . 3_666 71.87(10) C9 C8 H8 . . 119.6 C7 C8 H8 . . 119.6 V1 C8 H8 3_666 . 128.7 C10 C9 C8 . . 120.41(18) C10 C9 V1 . 3_666 72.30(11) C8 C9 V1 . 3_666 71.26(11) C10 C9 H9 . . 119.8 C8 C9 H9 . . 119.8 V1 C9 H9 3_666 . 129.0 C9 C10 C11 . . 121.00(18) C9 C10 V1 . 3_666 71.29(12) C11 C10 V1 . 3_666 72.61(11) C9 C10 H10 . . 119.5 C11 C10 H10 . . 119.5 V1 C10 H10 3_666 . 129.0 C10 C11 C16 . . 118.79(17) C10 C11 C12 . . 122.99(17) C16 C11 C12 . . 118.20(16) C10 C11 V1 . 3_666 70.87(11) C16 C11 V1 . 3_666 70.07(10) C12 C11 V1 . 3_666 129.58(13) C13 C12 C11 . . 121.80(18) C13 C12 H12 . . 119.1 C11 C12 H12 . . 119.1 C12 C13 C14 . . 121.87(17) C12 C13 H13 . . 119.1 C14 C13 H13 . . 119.1 C1 C14 C15 . . 118.85(17) C1 C14 C13 . . 123.03(17) C15 C14 C13 . . 118.11(16) C1 C14 V1 . . 70.50(11) C15 C14 V1 . . 71.05(10) C13 C14 V1 . . 129.78(13) C14 C15 C4 . . 120.08(16) C14 C15 C16 . . 120.00(16) C4 C15 C16 . . 119.91(16) C14 C15 V1 . . 72.02(10) C4 C15 V1 . . 70.77(10) C16 C15 V1 . . 130.39(12) C11 C16 C7 . . 120.02(16) C11 C16 C15 . . 120.00(16) C7 C16 C15 . . 119.98(16) C11 C16 V1 . 3_666 72.81(10) C7 C16 V1 . 3_666 71.27(10) C15 C16 V1 . 3_666 128.15(12) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag V1 C3 . 2.1885(19) y V1 C2 . 2.210(2) y V1 C8 3_666 2.2162(19) ? V1 C7 3_666 2.2266(19) ? V1 C16 3_666 2.2268(17) ? V1 C9 3_666 2.227(2) ? V1 C1 . 2.231(2) y V1 C4 . 2.2335(19) y V1 C10 3_666 2.240(2) ? V1 C15 . 2.2492(18) y V1 C14 . 2.2620(19) y V1 C11 3_666 2.2628(19) ? C1 C2 . 1.397(3) ? C1 C14 . 1.412(3) ? C1 H1 . 0.9500 ? C2 C3 . 1.396(3) ? C2 H2 . 0.9500 ? C3 C4 . 1.412(2) ? C3 H3 . 0.9500 ? C4 C15 . 1.432(2) ? C4 C5 . 1.436(3) ? C5 C6 . 1.347(3) ? C5 H5 . 0.9500 ? C6 C7 . 1.436(3) ? C6 H6 . 0.9500 ? C7 C8 . 1.412(3) ? C7 C16 . 1.430(2) ? C7 V1 3_666 2.2266(18) y C8 C9 . 1.396(3) ? C8 V1 3_666 2.2162(19) y C8 H8 . 0.9500 ? C9 C10 . 1.396(3) ? C9 V1 3_666 2.227(2) y C9 H9 . 0.9500 ? C10 C11 . 1.411(3) ? C10 V1 3_666 2.240(2) y C10 H10 . 0.9500 ? C11 C16 . 1.429(2) ? C11 C12 . 1.440(3) ? C11 V1 3_666 2.2628(19) y C12 C13 . 1.346(3) ? C12 H12 . 0.9500 ? C13 C14 . 1.441(3) ? C13 H13 . 0.9500 ? C14 C15 . 1.429(2) ? C15 C16 . 1.436(2) ? C16 V1 3_666 2.2268(17) y 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_site_symmetry_1 _geom_torsion_site_symmetry_4 _geom_torsion C14 C1 C2 C3 . . -1.0(3) V1 C1 C2 C3 . . 54.12(17) C14 C1 C2 V1 . . -55.09(16) C1 C2 C3 C4 . . 1.9(3) V1 C2 C3 C4 . . 56.84(16) C1 C2 C3 V1 . . -54.97(17) C2 C3 C4 C15 . . -1.9(3) V1 C3 C4 C15 . . 54.52(15) C2 C3 C4 C5 . . 179.01(18) V1 C3 C4 C5 . . -124.53(17) C2 C3 C4 V1 . . -56.46(16) C3 C4 C5 C6 . . -179.76(18) C15 C4 C5 C6 . . 1.2(3) V1 C4 C5 C6 . . 90.3(2) C4 C5 C6 C7 . . -0.8(3) C5 C6 C7 C8 . . -177.79(18) C5 C6 C7 C16 . . -0.3(3) C5 C6 C7 V1 . 3_666 -87.4(2) C16 C7 C8 C9 . . 0.5(3) C6 C7 C8 C9 . . 177.93(18) V1 C7 C8 C9 3_666 . 55.18(16) C16 C7 C8 V1 . 3_666 -54.71(15) C6 C7 C8 V1 . 3_666 122.75(17) C7 C8 C9 C10 . . 0.1(3) V1 C8 C9 C10 3_666 . 55.16(17) C7 C8 C9 V1 . 3_666 -55.06(16) C8 C9 C10 C11 . . 0.5(3) V1 C9 C10 C11 3_666 . 55.13(17) C8 C9 C10 V1 . 3_666 -54.67(17) C9 C10 C11 C16 . . -1.6(3) V1 C10 C11 C16 3_666 . 52.97(15) C9 C10 C11 C12 . . -179.90(18) V1 C10 C11 C12 3_666 . -125.37(18) C9 C10 C11 V1 . 3_666 -54.53(17) C10 C11 C12 C13 . . 178.69(18) C16 C11 C12 C13 . . 0.3(3) V1 C11 C12 C13 3_666 . 87.0(2) C11 C12 C13 C14 . . -0.4(3) C2 C1 C14 C15 . . 0.2(3) V1 C1 C14 C15 . . -53.95(15) C2 C1 C14 C13 . . 179.55(17) V1 C1 C14 C13 . . 125.40(17) C2 C1 C14 V1 . . 54.14(16) C12 C13 C14 C1 . . -179.69(18) C12 C13 C14 C15 . . -0.3(3) C12 C13 C14 V1 . . -88.4(2) C1 C14 C15 C4 . . -0.3(2) C13 C14 C15 C4 . . -179.68(16) V1 C14 C15 C4 . . -53.98(14) C1 C14 C15 C16 . . -179.49(16) C13 C14 C15 C16 . . 1.1(2) V1 C14 C15 C16 . . 126.82(15) C1 C14 C15 V1 . . 53.69(15) C13 C14 C15 V1 . . -125.70(16) C3 C4 C15 C14 . . 1.1(2) C5 C4 C15 C14 . . -179.76(16) V1 C4 C15 C14 . . 54.56(14) C3 C4 C15 C16 . . -179.65(16) C5 C4 C15 C16 . . -0.6(2) V1 C4 C15 C16 . . -126.24(15) C3 C4 C15 V1 . . -53.42(15) C5 C4 C15 V1 . . 125.68(16) C10 C11 C16 C7 . . 2.1(2) C12 C11 C16 C7 . . -179.47(16) V1 C11 C16 C7 3_666 . 55.45(14) C10 C11 C16 C15 . . -177.96(16) C12 C11 C16 C15 . . 0.5(2) V1 C11 C16 C15 3_666 . -124.61(15) C10 C11 C16 V1 . 3_666 -53.35(15) C12 C11 C16 V1 . 3_666 125.08(16) C8 C7 C16 C11 . . -1.6(2) C6 C7 C16 C11 . . -179.16(16) V1 C7 C16 C11 3_666 . -56.19(14) C8 C7 C16 C15 . . 178.49(16) C6 C7 C16 C15 . . 0.9(2) V1 C7 C16 C15 3_666 . 123.87(15) C8 C7 C16 V1 . 3_666 54.61(15) C6 C7 C16 V1 . 3_666 -122.97(16) C14 C15 C16 C11 . . -1.2(2) C4 C15 C16 C11 . . 179.60(16) V1 C15 C16 C11 . . 90.1(2) C14 C15 C16 C7 . . 178.74(15) C4 C15 C16 C7 . . -0.5(2) V1 C15 C16 C7 . . -89.9(2) C14 C15 C16 V1 . 3_666 -92.32(19) C4 C15 C16 V1 . 3_666 88.48(19) V1 C15 C16 V1 . 3_666 -1.0(2)