#------------------------------------------------------------------------------ #$Date: 2021-10-20 02:22:01 +0300 (Wed, 20 Oct 2021) $ #$Revision: 270041 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/85/7708590.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7708590 loop_ _publ_author_name 'Henry, Andrew Timothy' 'Cosby, Taylor P. L.' 'Boyle, Paul D.' 'Baines, Kim M.' _publ_section_title ; Assessing the Lewis Acidity and Catalytic Activity of Bis(catecholato)germanes ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT03180E _journal_year 2021 _chemical_formula_sum 'C40 H70 Ge O6 P2' _chemical_formula_weight 781.49 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2016/6 _audit_update_record ; 2021-06-15 deposited with the CCDC. 2021-10-18 downloaded from the CCDC. ; _cell_angle_alpha 109.138(11) _cell_angle_beta 92.133(9) _cell_angle_gamma 95.396(13) _cell_formula_units_Z 1 _cell_length_a 8.012(3) _cell_length_b 9.945(4) _cell_length_c 14.528(6) _cell_measurement_reflns_used 9440 _cell_measurement_temperature 110 _cell_measurement_theta_max 37.29 _cell_measurement_theta_min 3.02 _cell_volume 1085.9(8) _computing_cell_refinement SAINT _computing_data_collection Apex3 _computing_data_reduction SAINT _computing_molecular_graphics Mercury _computing_publication_material cif2tables.py _computing_structure_refinement SHELXL _computing_structure_solution SHELXT _diffrn_ambient_temperature 110 _diffrn_detector 'CCD plate' _diffrn_detector_type 'Bruker Apex2' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device '\k-geometry diffractometer' _diffrn_measurement_device_type 'Bruker Kappa Axis Apex2' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0385 _diffrn_reflns_av_unetI/netI 0.0267 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 125120 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 42.168 _diffrn_reflns_theta_min 2.867 _diffrn_source 'sealed tube' _exptl_absorpt_coefficient_mu 0.819 _exptl_absorpt_correction_T_max 0.7483 _exptl_absorpt_correction_T_min 0.6804 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.195 _exptl_crystal_description prism _exptl_crystal_F_000 420 _exptl_crystal_size_max 0.373 _exptl_crystal_size_mid 0.229 _exptl_crystal_size_min 0.167 _refine_diff_density_max 0.687 _refine_diff_density_min -0.323 _refine_diff_density_rms 0.063 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.045 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 232 _refine_ls_number_reflns 15267 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.045 _refine_ls_R_factor_all 0.0362 _refine_ls_R_factor_gt 0.0269 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0399P)^2^+0.0621P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0700 _refine_ls_wR_factor_ref 0.0733 _reflns_Friedel_coverage 0.000 _reflns_number_gt 13141 _reflns_number_total 15267 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt03180e3.cif _cod_data_source_block b21074 _cod_database_code 7708590 _shelx_shelxl_version_number 2016/6 _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 0.750 _shelx_estimated_absorpt_t_max 0.875 _shelx_res_file ; TITL b21074 in P-1 b21074.res created by SHELXL-2016/6 at 10:29:30 on 02-Feb-2021 CELL 0.71073 8.01198 9.94521 14.52796 109.1380 92.1333 95.3964 ZERR 1 0.00347 0.00386 0.00636 0.0110 0.0091 0.0125 LATT 1 SFAC C H O P GE UNIT 40 70 6 2 1 TEMP -163.180 SIZE 0.167 0.229 0.373 ACTA REM omitted reflections chosen by beamstop_omit.py program: REM Please verify reflections are blocked on the images (Verified by P. Boyle) OMIT 0 0 1 OMIT 0 1 0 OMIT 0 -1 1 L.S. 12 4 FMAP 2 PLAN 30 BOND $H CONF REM Instructions for potential hydrogen bonds HTAB C17 O2 WGHT 0.039900 0.062100 FVAR 0.69078 GE1 5 0.500000 0.500000 0.000000 10.50000 0.00736 0.00935 = 0.00817 0.00265 0.00079 0.00123 P1 4 0.199457 0.486342 0.146443 11.00000 0.00862 0.01623 = 0.01066 0.00549 0.00261 0.00285 O1 3 0.285817 0.523633 0.065098 11.00000 0.00964 0.01733 = 0.01278 0.00719 0.00369 0.00374 O2 3 0.601060 0.469668 0.106736 11.00000 0.01029 0.01057 = 0.00951 0.00267 -0.00006 0.00143 O3 3 0.565939 0.693763 0.058578 11.00000 0.01391 0.01072 = 0.01036 0.00308 -0.00014 0.00040 C1 1 0.633378 0.597021 0.179675 11.00000 0.00915 0.01213 = 0.00968 0.00245 0.00076 0.00063 C2 1 0.615600 0.720218 0.153647 11.00000 0.01126 0.01145 = 0.01030 0.00243 0.00125 0.00014 C3 1 0.645684 0.856584 0.224128 11.00000 0.01613 0.01170 = 0.01287 0.00158 0.00263 -0.00039 C4 1 0.686138 0.863587 0.321011 11.00000 0.01936 0.01520 = 0.01189 0.00045 0.00195 -0.00181 AFIX 43 H4 2 0.704899 0.955223 0.370157 11.00000 -1.20000 AFIX 0 C5 1 0.700019 0.743114 0.348394 11.00000 0.01552 0.01866 = 0.00995 0.00259 0.00102 -0.00183 C6 1 0.675594 0.607826 0.275356 11.00000 0.01251 0.01571 = 0.01051 0.00399 0.00051 0.00024 AFIX 43 H6 2 0.687993 0.524001 0.291540 11.00000 -1.20000 AFIX 0 C7 1 0.635802 0.990840 0.195399 11.00000 0.02319 0.01120 = 0.01838 0.00284 0.00383 -0.00020 C8 1 0.458879 0.990617 0.151079 11.00000 0.02655 0.01764 = 0.04164 0.01084 0.00178 0.00684 AFIX 137 H8A 2 0.377100 0.992703 0.199905 11.00000 -1.50000 H8B 2 0.431248 0.903815 0.094160 11.00000 -1.50000 H8C 2 0.455291 1.075193 0.130867 11.00000 -1.50000 AFIX 0 C9 1 0.763233 0.992905 0.119387 11.00000 0.02974 0.01872 = 0.02602 0.00857 0.00828 -0.00336 AFIX 137 H9A 2 0.757462 1.078934 0.101093 11.00000 -1.50000 H9B 2 0.736830 0.907530 0.061332 11.00000 -1.50000 H9C 2 0.876749 0.993570 0.147216 11.00000 -1.50000 AFIX 0 C10 1 0.676092 1.129763 0.282761 11.00000 0.05205 0.01237 = 0.02509 0.00006 0.00502 -0.00161 AFIX 137 H10A 2 0.594883 1.132147 0.331922 11.00000 -1.50000 H10B 2 0.669292 1.212335 0.260661 11.00000 -1.50000 H10C 2 0.789805 1.133435 0.311433 11.00000 -1.50000 AFIX 0 C11 1 0.736355 0.751517 0.454681 11.00000 0.02127 0.02380 = 0.00994 0.00308 0.00050 -0.00369 C12 1 0.750668 0.905245 0.526260 11.00000 0.04564 0.02723 = 0.01271 0.00023 -0.00042 -0.00550 AFIX 137 H12A 2 0.845345 0.962429 0.511128 11.00000 -1.50000 H12B 2 0.769258 0.904509 0.593140 11.00000 -1.50000 H12C 2 0.646556 0.947123 0.520295 11.00000 -1.50000 AFIX 0 C13 1 0.901772 0.690022 0.465106 11.00000 0.03078 0.04999 = 0.01643 0.01065 -0.00285 0.00800 AFIX 137 H13A 2 0.893307 0.589917 0.422336 11.00000 -1.50000 H13B 2 0.923730 0.695150 0.533055 11.00000 -1.50000 H13C 2 0.993989 0.745702 0.446590 11.00000 -1.50000 AFIX 0 C14 1 0.591642 0.664542 0.483700 11.00000 0.03451 0.03830 = 0.01435 0.00785 0.00320 -0.01215 AFIX 137 H14A 2 0.485755 0.702895 0.475849 11.00000 -1.50000 H14B 2 0.612476 0.671147 0.552028 11.00000 -1.50000 H14C 2 0.584322 0.564067 0.441746 11.00000 -1.50000 AFIX 0 C15 1 0.210549 0.640469 0.255593 11.00000 0.01763 0.02439 = 0.01251 0.00273 0.00326 0.00356 AFIX 23 H15A 2 0.159997 0.610938 0.308115 11.00000 -1.20000 H15B 2 0.330152 0.675794 0.276747 11.00000 -1.20000 AFIX 0 C16 1 0.121270 0.762803 0.242804 11.00000 0.02518 0.01822 = 0.02212 0.00209 0.00413 0.00251 AFIX 137 H16A 2 0.169352 0.791936 0.190283 11.00000 -1.50000 H16B 2 0.135925 0.844302 0.303856 11.00000 -1.50000 H16C 2 0.001195 0.730738 0.226061 11.00000 -1.50000 AFIX 0 C17 1 0.286855 0.346517 0.179036 11.00000 0.01415 0.02318 = 0.01924 0.01291 0.00323 0.00470 AFIX 23 H17A 2 0.294949 0.264668 0.118778 11.00000 -1.20000 H17B 2 0.402270 0.382382 0.209254 11.00000 -1.20000 AFIX 0 C18 1 0.184469 0.293294 0.249787 11.00000 0.02469 0.03243 = 0.02563 0.02023 0.00660 0.00475 AFIX 137 H18A 2 0.175345 0.373618 0.309671 11.00000 -1.50000 H18B 2 0.240760 0.219659 0.265844 11.00000 -1.50000 H18C 2 0.071811 0.252562 0.219101 11.00000 -1.50000 AFIX 0 C19 1 -0.017519 0.425306 0.106961 11.00000 0.00938 0.02154 = 0.01760 0.00886 0.00218 0.00186 AFIX 23 H19A 2 -0.077780 0.413266 0.162506 11.00000 -1.20000 H19B 2 -0.068406 0.498892 0.086487 11.00000 -1.20000 AFIX 0 C20 1 -0.040176 0.283493 0.022148 11.00000 0.01880 0.02024 = 0.02194 0.00844 -0.00213 -0.00219 AFIX 137 H20A 2 0.031279 0.290942 -0.029660 11.00000 -1.50000 H20B 2 -0.158064 0.261957 -0.003520 11.00000 -1.50000 H20C 2 -0.008270 0.206651 0.045241 11.00000 -1.50000 AFIX 0 HKLF 4 REM b21074 in P-1 REM R1 = 0.0269 for 13141 Fo > 4sig(Fo) and 0.0362 for all 15267 data REM 232 parameters refined using 0 restraints END WGHT 0.0399 0.0621 REM Highest difference peak 0.687, deepest hole -0.323, 1-sigma level 0.063 Q1 1 0.6304 0.6541 0.1634 11.00000 0.05 0.69 Q2 1 0.6949 0.8038 0.3329 11.00000 0.05 0.67 Q3 1 0.6285 0.7911 0.1847 11.00000 0.05 0.64 Q4 1 0.6639 0.6077 0.2280 11.00000 0.05 0.58 Q5 1 0.6949 0.6771 0.3128 11.00000 0.05 0.57 Q6 1 0.5118 0.5678 0.0041 11.00000 0.05 0.56 Q7 1 0.1963 0.5540 0.1904 11.00000 0.05 0.55 Q8 1 0.2407 0.4922 0.1019 11.00000 0.05 0.54 Q9 1 0.6669 0.8550 0.2695 11.00000 0.05 0.54 Q10 1 0.6538 0.9186 0.2139 11.00000 0.05 0.47 Q11 1 0.7460 0.8299 0.4909 11.00000 0.05 0.44 Q12 1 0.2223 0.4079 0.1504 11.00000 0.05 0.42 Q13 1 0.2429 0.3234 0.2122 11.00000 0.05 0.41 Q14 1 -0.0117 0.3604 0.0655 11.00000 0.05 0.41 Q15 1 0.5002 0.4761 0.0397 11.00000 0.05 0.40 Q16 1 0.6165 0.5369 0.1472 11.00000 0.05 0.39 Q17 1 0.5554 0.7424 0.0529 11.00000 0.05 0.39 Q18 1 0.7306 0.7350 0.3969 11.00000 0.05 0.38 Q19 1 0.6989 0.9943 0.1623 11.00000 0.05 0.38 Q20 1 0.2146 0.5903 0.2107 11.00000 0.05 0.38 Q21 1 0.6472 1.0651 0.2453 11.00000 0.05 0.37 Q22 1 0.6701 0.7112 0.4680 11.00000 0.05 0.35 Q23 1 0.5937 0.4913 0.0676 11.00000 0.05 0.35 Q24 1 0.1799 0.7001 0.2439 11.00000 0.05 0.34 Q25 1 0.5658 0.4371 0.1172 11.00000 0.05 0.34 Q26 1 0.5997 0.6966 0.1030 11.00000 0.05 0.34 Q27 1 0.1037 0.4524 0.1264 11.00000 0.05 0.34 Q28 1 0.5235 0.6301 0.0577 11.00000 0.05 0.33 Q29 1 -0.0224 0.2294 0.0205 11.00000 0.05 0.30 Q30 1 0.5607 0.9763 0.1605 11.00000 0.05 0.30 ; _shelx_res_checksum 33057 _shelx_hkl_file ; -2 0 0 729.091 17.5760 19 -2 0 0 728.267 17.6172 23 -2 0 0 729.911 16.8854 1 -2 0 0 765.032 17.5930 16 -2 0 0 731.943 17.9798 7 -2 0 0 739.662 17.9843 4 -2 0 0 716.325 16.8719 1 2 0 0 735.940 16.8788 1 2 0 0 755.074 17.4587 17 -3 0 0 73.6006 2.93103 7 -3 0 0 70.9857 2.85101 16 -3 0 0 77.1350 2.97626 19 -3 0 0 72.3549 2.08751 1 -3 0 0 71.5537 2.06267 1 -3 0 0 75.4480 2.73806 22 -3 0 0 69.4645 2.96544 23 -3 0 0 74.1671 2.87527 21 -3 0 0 75.0000 2.78132 10 -3 0 0 75.4714 2.77800 8 -3 0 0 72.8401 2.78271 24 -3 0 0 77.6403 2.99758 4 3 0 0 73.1621 3.06529 18 3 0 0 72.9618 2.77575 17 -4 0 0 222.563 6.81832 19 -4 0 0 208.874 6.42263 24 -4 0 0 213.568 6.65009 16 -4 0 0 227.588 6.55243 8 -4 0 0 221.101 6.81890 4 -4 0 0 218.603 6.61046 21 -4 0 0 216.942 6.79366 23 -4 0 0 216.698 6.47353 10 -4 0 0 221.792 6.42510 22 -4 0 0 207.087 6.61918 7 -4 0 0 215.093 5.37782 1 -4 0 0 211.812 5.35736 1 4 0 0 218.752 6.89833 18 4 0 0 212.771 6.41159 17 -5 0 0 0.93099 1.06225 19 -5 0 0 0.89498 0.94786 8 -5 0 0 1.08970 0.98314 10 -5 0 0 4.03323 1.36118 4 -5 0 0 1.08228 0.40834 1 -5 0 0 0.36707 1.02669 16 -5 0 0 2.88504 1.31423 7 -5 0 0 3.32181 1.07908 22 -5 0 0 1.89079 1.11199 23 -5 0 0 0.96752 0.89984 24 -5 0 0 2.01350 1.12302 21 5 0 0 1.32195 1.06953 18 5 0 0 -0.3365 0.84731 17 -6 0 0 145.953 5.92531 16 -6 0 0 153.035 5.72891 8 -6 0 0 156.276 6.18086 19 -6 0 0 152.006 5.77490 24 -6 0 0 154.730 6.23977 4 -6 0 0 149.127 5.56525 22 -6 0 0 145.967 5.96205 7 -6 0 0 150.914 5.70764 10 -6 0 0 147.036 5.90518 21 -6 0 0 147.687 6.22003 23 6 0 0 156.733 6.30169 18 6 0 0 147.029 5.60422 17 -7 0 0 160.008 7.04310 4 -7 0 0 184.276 7.11537 21 -7 0 0 171.555 6.78365 24 -7 0 0 171.929 7.11041 7 -7 0 0 173.212 6.73186 8 -7 0 0 176.312 7.21455 16 -7 0 0 169.067 6.59034 22 -7 0 0 177.230 6.72487 10 -7 0 0 177.436 7.31743 19 -7 0 0 165.006 7.15248 23 7 0 0 191.401 7.50127 18 7 0 0 184.012 6.70521 17 -8 0 0 13.0728 2.67230 19 -8 0 0 11.4359 2.37525 10 -8 0 0 12.4809 2.91563 23 -8 0 0 15.3033 2.52952 22 -8 0 0 14.0166 2.35760 8 -8 0 0 14.0773 2.55311 24 -8 0 0 12.5591 2.92194 7 -8 0 0 13.1525 2.64249 16 -8 0 0 12.3871 2.68190 21 -8 0 0 13.5160 2.91249 4 8 0 0 13.7717 2.24788 13 8 0 0 14.3950 2.33710 17 8 0 0 15.7379 2.97433 18 8 0 0 15.1226 2.45660 5 -9 0 0 57.7929 4.86020 10 -9 0 0 44.4590 4.44713 24 -9 0 0 63.0238 4.66979 8 -9 0 0 59.8169 5.57627 4 -9 0 0 74.2363 6.11189 7 -9 0 0 57.8286 4.36557 22 -9 0 0 59.6530 5.47655 23 -9 0 0 61.3363 5.50515 16 -9 0 0 61.5201 5.38823 21 9 0 0 53.0032 4.13982 17 9 0 0 60.8445 5.53843 18 9 0 0 58.0724 4.13428 13 9 0 0 52.4522 4.59683 5 9 0 0 57.9129 5.29398 11 -10 0 0 295.853 12.3419 4 -10 0 0 310.482 11.8627 21 -10 0 0 302.954 12.2236 16 -10 0 0 288.250 10.8246 22 -10 0 0 289.342 12.2098 23 -10 0 0 317.479 11.5728 24 -10 0 0 303.003 11.2618 8 -10 0 0 320.544 11.3042 10 -10 0 0 293.270 12.0719 7 10 0 0 289.341 11.9484 18 10 0 0 289.656 11.1442 5 10 0 0 296.559 12.1040 11 -11 0 0 5.96699 2.81233 10 -11 0 0 7.49770 3.62031 7 -11 0 0 10.7593 3.71367 21 -11 0 0 5.32860 3.00342 8 -11 0 0 11.6308 3.34445 24 -11 0 0 10.0709 3.88576 4 -11 0 0 9.61920 3.78984 16 -11 0 0 6.48770 3.68539 23 11 0 0 10.3402 3.23892 5 11 0 0 2.48518 3.02555 14 -12 0 0 4.16858 4.02120 16 -12 0 0 2.11580 3.53350 23 -12 0 0 5.28827 3.55133 21 -12 0 0 4.52054 3.40314 7 -12 0 0 4.02995 4.00788 4 12 0 0 7.12657 3.81749 14 12 0 0 5.62722 3.36144 5 -13 0 0 49.6839 6.96686 16 -13 0 0 61.4940 6.95819 21 -13 0 0 65.9743 8.06544 23 -13 0 0 64.4921 7.62631 4 13 0 0 61.2439 7.07375 14 -14 0 0 24.4465 5.89457 4 -14 0 0 31.1897 6.16852 16 -14 0 0 18.3702 5.52446 23 -14 0 0 18.5242 4.98364 21 14 0 0 27.1309 5.66710 2 14 0 0 28.7885 5.54741 14 -15 0 0 4.53654 7.21222 16 -15 0 0 3.57447 8.07994 23 -15 0 0 2.03736 7.42160 4 15 0 0 -0.3724 5.34425 2 15 -1 0 -6.0502 3.77814 14 15 -1 0 0.28117 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145.379 5.01694 4 -3 3 0 139.875 4.84732 1 -3 3 0 143.446 4.86322 15 2 -3 0 80.4391 2.96652 13 2 -3 0 74.6060 3.05924 18 2 -3 0 72.3428 2.86826 14 2 -3 0 79.9930 3.22428 1 2 -3 0 82.4691 3.12672 17 2 -3 0 77.1507 3.08625 5 -2 3 0 82.9388 3.09593 18 -2 3 0 81.2508 3.38254 11 -2 3 0 73.6808 2.84205 23 -2 3 0 77.7964 3.20005 1 -2 3 0 78.0077 3.05252 17 -2 3 0 68.8729 2.96952 15 -2 3 0 78.3458 2.74116 16 -2 3 0 82.0923 2.96152 6 -2 3 0 79.5995 2.30136 20 -2 3 0 74.1716 3.09308 1 -2 3 0 79.8472 3.09549 9 1 -3 0 63.2638 2.74515 1 1 -3 0 66.0597 2.58848 13 1 -3 0 62.3576 2.36457 18 1 -3 0 64.4188 2.74323 11 1 -3 0 65.1045 2.58315 14 1 -3 0 65.6563 2.62162 5 1 -3 0 64.0524 2.70946 17 -1 3 0 65.1720 2.79289 1 -1 3 0 63.8795 2.24620 20 -1 3 0 61.2550 2.33664 18 -1 3 0 63.0023 2.74832 11 -1 3 0 61.7351 2.49359 6 -1 3 0 64.6310 2.51077 9 -1 3 0 65.3370 2.62591 15 0 -3 0 18.8272 1.39606 22 0 -3 0 17.1173 1.47948 3 0 -3 0 19.8593 1.35801 10 0 -3 0 15.0559 1.35917 11 0 -3 0 19.1345 1.65116 17 0 -3 0 18.1722 0.96698 18 0 -3 0 19.1204 1.56709 1 0 -3 0 22.5612 1.57082 13 0 -3 0 19.7909 1.32225 5 0 -3 0 19.8354 1.38371 8 0 3 0 19.4923 1.52539 1 0 3 0 19.4960 1.44598 17 0 3 0 22.5786 1.67332 15 0 3 0 19.3243 1.43600 6 0 3 0 20.0438 1.54226 11 0 3 0 18.4424 0.96533 18 -1 -3 0 107.856 3.68073 8 -1 -3 0 106.122 3.63579 11 -1 -3 0 108.511 3.54917 1 -1 -3 0 113.666 3.68393 24 -1 -3 0 103.199 3.65132 10 -1 -3 0 106.912 3.48361 5 -1 -3 0 104.077 3.33911 19 -1 -3 0 102.312 3.63268 21 -1 -3 0 111.792 3.67557 7 -1 -3 0 98.2669 3.45365 1 -1 -3 0 101.648 3.60556 22 1 3 0 111.654 3.66820 15 1 3 0 100.036 3.48381 1 1 3 0 106.859 2.78874 18 1 3 0 112.442 3.69101 11 1 3 0 105.826 3.72684 17 -2 -3 0 17.3412 1.32888 1 -2 -3 0 18.5021 1.37164 1 -2 -3 0 18.6206 1.77624 22 -2 -3 0 18.4238 1.37312 23 -2 -3 0 21.6336 1.82045 13 -2 -3 0 19.4545 1.76570 10 -2 -3 0 19.0075 1.71523 21 -2 -3 0 22.1323 1.41834 7 -2 -3 0 18.3584 1.61721 4 -2 -3 0 17.3710 1.70826 8 -2 -3 0 20.2408 1.57159 5 -2 -3 0 19.7727 1.40715 19 -2 -3 0 22.9849 1.85234 24 -2 -3 0 18.2360 1.68045 11 2 3 0 20.1333 1.68355 11 2 3 0 18.6257 1.32985 1 2 3 0 20.1988 1.42455 9 2 3 0 23.9185 1.85406 15 -3 -3 0 169.987 5.45270 7 -3 -3 0 174.918 4.89125 1 -3 -3 0 176.365 5.75405 4 -3 -3 0 182.769 5.85486 11 -3 -3 0 175.354 5.95434 8 -3 -3 0 176.384 5.70615 24 -3 -3 0 184.989 5.54742 23 -3 -3 0 175.793 5.52895 19 -3 -3 0 188.193 6.06397 10 -3 -3 0 171.489 4.85971 1 -3 -3 0 180.929 5.91471 21 -3 -3 0 177.016 5.28365 16 3 3 0 182.447 5.82188 11 3 3 0 177.896 5.48750 9 -4 -3 0 410.648 11.7050 10 -4 -3 0 392.622 11.2465 24 -4 -3 0 411.181 11.2194 7 -4 -3 0 405.114 11.7600 22 -4 -3 0 401.005 11.6998 8 -4 -3 0 405.961 11.2618 23 -4 -3 0 400.717 10.9792 16 -4 -3 0 405.865 11.4785 4 -4 -3 0 414.234 9.78532 1 -4 -3 0 413.196 11.2563 19 -4 -3 0 398.185 11.5068 21 4 3 0 427.690 10.9976 18 4 3 0 415.309 11.5362 11 -5 -3 0 364.067 10.9033 19 -5 -3 0 371.275 11.3239 10 -5 -3 0 385.322 11.0672 24 -5 -3 0 373.174 11.4115 22 -5 -3 0 380.006 11.1067 23 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0 69.3789 6.89921 21 -11 -3 0 47.6954 5.76471 16 -11 -3 0 49.6259 6.18918 8 -11 -3 0 52.6440 5.78205 24 -12 -3 0 18.9949 4.56933 10 -12 -3 0 14.9512 4.41285 22 -12 -3 0 12.1232 4.51615 8 -12 -3 0 10.8628 4.32483 21 -12 -3 0 14.8331 4.58719 16 -12 -3 0 12.8625 4.67141 23 -12 -3 0 16.7442 4.58479 7 -12 -3 0 10.1671 3.87245 24 -12 -3 0 11.9043 4.71476 4 12 3 0 22.0977 7.03183 2 -13 -3 0 86.3044 8.29585 7 -13 -3 0 75.7069 8.48722 23 -13 -3 0 69.0244 7.57753 16 -13 -3 0 78.3723 8.16334 21 -13 -3 0 71.3713 8.03830 4 -13 -3 0 64.0580 7.69843 8 -14 -3 0 3.01453 4.35246 23 -14 -3 0 2.93759 4.11567 21 -14 -3 0 4.59244 4.42466 16 -14 -3 0 3.49129 4.49122 4 -15 4 0 -2.2560 6.69639 4 14 -4 0 24.1288 5.71329 14 14 -4 0 30.9655 6.16747 5 -14 4 0 24.1385 6.42375 23 -14 4 0 36.2412 6.34521 16 -14 4 0 26.3861 6.05161 4 13 -4 0 23.0287 5.05947 14 13 -4 0 32.5898 5.90960 5 -13 4 0 24.3438 5.39149 16 -13 4 0 32.6841 6.44882 4 -13 4 0 25.9571 5.94358 23 -13 4 0 31.8058 5.59955 21 12 -4 0 -0.2615 3.41564 5 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234.693 9.23800 21 7 -4 0 292.254 10.7930 18 7 -4 0 285.827 9.63077 17 7 -4 0 281.812 9.32423 13 7 -4 0 300.632 10.3389 5 7 -4 0 285.036 10.4704 14 -7 4 0 296.122 9.57183 1 -7 4 0 294.775 10.1549 21 -7 4 0 311.573 9.50679 6 -7 4 0 296.092 10.3242 16 -7 4 0 309.723 10.7983 4 -7 4 0 300.802 8.87440 8 -7 4 0 313.939 10.4669 15 -7 4 0 316.046 10.7933 23 6 -4 0 2.03123 1.32696 17 6 -4 0 5.77412 1.74090 5 6 -4 0 4.73395 1.87381 18 6 -4 0 4.20269 1.44053 13 -6 4 0 1.70989 1.67521 4 -6 4 0 3.42545 1.57836 23 -6 4 0 2.99449 1.25872 6 -6 4 0 2.87422 1.63061 16 -6 4 0 3.40879 1.57738 15 -6 4 0 2.63040 1.40625 1 -6 4 0 3.69159 1.62911 21 -6 4 0 3.22000 1.08932 8 -6 4 0 4.12939 1.34503 1 5 -4 0 11.9423 2.22472 18 5 -4 0 8.88390 1.61119 17 5 -4 0 9.65436 1.72771 1 5 -4 0 9.77020 1.58957 13 5 -4 0 6.95241 1.65495 5 -5 4 0 10.8692 1.90692 15 -5 4 0 11.2019 1.82378 16 -5 4 0 11.8623 1.74696 1 -5 4 0 10.3280 1.79803 23 -5 4 0 10.3883 1.91963 4 -5 4 0 12.1788 1.84647 21 -5 4 0 11.3673 1.63447 6 -5 4 0 14.1204 1.48262 8 -5 4 0 10.3905 1.81990 1 4 -4 0 282.980 8.73601 14 4 -4 0 279.249 8.26132 13 4 -4 0 274.554 8.62225 1 4 -4 0 293.248 8.61580 17 4 -4 0 278.207 8.71370 5 4 -4 0 290.476 8.98194 18 -4 4 0 279.791 8.85967 4 -4 4 0 284.430 8.59913 21 -4 4 0 284.560 8.91495 9 -4 4 0 280.156 8.71599 1 -4 4 0 293.755 8.29928 6 -4 4 0 287.215 7.62687 8 -4 4 0 280.963 8.35139 16 -4 4 0 274.573 8.57104 23 -4 4 0 286.822 8.75182 15 3 -4 0 367.119 10.3256 18 3 -4 0 375.261 10.3721 5 3 -4 0 364.632 10.3927 1 3 -4 0 343.384 10.0059 14 3 -4 0 384.255 10.0682 13 3 -4 0 371.993 10.2352 17 -3 4 0 375.098 10.3802 15 -3 4 0 370.267 8.79271 20 -3 4 0 343.889 10.3051 1 -3 4 0 366.203 10.4450 4 -3 4 0 347.979 10.2247 1 -3 4 0 360.357 9.74970 16 -3 4 0 360.870 9.96123 23 -3 4 0 376.249 10.0044 6 -3 4 0 355.542 10.2962 9 -3 4 0 371.181 10.1997 17 2 -4 0 52.9600 2.54535 13 2 -4 0 48.2882 2.72231 1 2 -4 0 50.1169 2.61470 5 2 -4 0 52.9103 2.22437 3 2 -4 0 51.6173 2.46351 14 2 -4 0 47.9587 2.61408 17 2 -4 0 54.0899 2.93144 11 2 -4 0 49.2350 2.51530 18 -2 4 0 56.3743 2.72842 17 -2 4 0 49.5390 2.46507 18 -2 4 0 45.2165 2.80863 11 -2 4 0 54.3425 2.53632 6 -2 4 0 48.1655 2.78386 1 -2 4 0 52.6469 2.01291 20 -2 4 0 47.9596 2.31779 23 -2 4 0 50.8547 2.56568 9 -2 4 0 49.3146 2.70129 15 -2 4 0 54.3353 2.19016 16 1 -4 0 68.1228 2.95993 5 1 -4 0 67.1475 2.56445 18 1 -4 0 65.2800 3.10957 17 1 -4 0 65.5155 2.87302 13 1 -4 0 66.9957 2.56207 14 1 -4 0 69.0995 3.14767 11 1 -4 0 65.8737 2.71373 3 -1 4 0 66.6986 2.45622 23 -1 4 0 67.6701 3.13581 11 -1 4 0 74.8640 3.13948 17 -1 4 0 64.4530 2.77895 9 -1 4 0 67.3461 2.64757 20 -1 4 0 67.9855 2.55466 18 -1 4 0 67.1812 2.97361 15 -1 4 0 61.8048 3.06543 1 0 -4 0 1921.45 45.0756 13 0 -4 0 1929.30 44.9189 5 0 -4 0 1907.19 45.1899 1 0 -4 0 1925.29 44.9706 10 0 -4 0 1956.04 44.8468 8 0 -4 0 1922.07 44.0587 18 0 -4 0 1930.13 45.1954 1 0 -4 0 1925.86 44.6922 22 0 -4 0 1870.25 45.1172 11 0 4 0 1922.37 45.1436 11 0 4 0 1942.57 45.1713 1 0 4 0 1894.88 45.2026 17 0 4 0 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847.731 21.9286 6 0 6 0 869.670 21.9361 1 0 6 0 864.385 20.1134 18 -1 -6 0 344.119 10.2242 22 -1 -6 0 349.051 10.5786 13 -1 -6 0 360.348 10.5146 24 -1 -6 0 334.038 10.2710 8 -1 -6 0 365.861 9.95377 19 -1 -6 0 333.951 9.00960 14 -1 -6 0 344.586 10.4430 1 -1 -6 0 360.363 10.2359 5 -1 -6 0 356.445 9.84358 7 1 6 0 356.192 10.3734 1 1 6 0 347.871 10.3792 15 1 6 0 351.844 8.35055 18 1 6 0 353.998 9.75151 9 1 6 0 337.464 10.3469 11 1 6 0 356.041 10.7870 6 -2 -6 0 227.836 7.70931 24 -2 -6 0 220.494 7.42425 1 -2 -6 0 219.899 7.78586 10 -2 -6 0 244.751 7.95549 8 -2 -6 0 224.156 7.70674 22 -2 -6 0 227.423 7.36763 1 -2 -6 0 220.674 6.97157 7 -2 -6 0 218.159 7.28463 5 -2 -6 0 225.834 7.02788 19 -2 -6 0 214.569 7.68034 13 2 6 0 220.133 6.89940 9 2 6 0 224.964 7.61080 15 2 6 0 226.540 5.25468 18 2 6 0 232.348 7.37050 1 2 6 0 218.441 7.90427 6 2 6 0 227.489 7.63799 11 -3 -6 0 466.120 13.8385 13 -3 -6 0 481.929 13.0238 1 -3 -6 0 471.188 13.2211 5 -3 -6 0 474.125 12.9864 19 -3 -6 0 496.925 14.2037 10 -3 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252.697 9.95021 8 -8 -2 4 263.294 10.2535 21 -8 -2 4 254.989 10.3103 4 7 2 -4 2.42226 1.13104 17 7 2 -4 3.48664 1.73635 18 7 2 -4 1.29556 1.95889 11 7 2 -4 0.91416 1.60628 2 7 2 -4 1.93274 1.18456 5 7 2 -4 -0.2273 1.40952 14 -7 -2 4 3.19747 1.60891 7 -7 -2 4 2.10063 1.76517 16 -7 -2 4 2.34628 2.01204 4 -7 -2 4 2.07472 0.76837 1 -7 -2 4 2.56096 1.35573 24 -7 -2 4 3.31404 1.97050 23 -7 -2 4 2.93487 1.84669 8 -7 -2 4 1.83591 1.68063 22 -7 -2 4 3.68474 0.86449 1 -7 -2 4 1.01653 1.27293 10 -7 -2 4 3.16674 1.82750 21 6 2 -4 1.41264 1.26118 14 6 2 -4 2.47616 1.39221 18 6 2 -4 2.38087 1.58962 2 6 2 -4 5.54291 1.87455 11 6 2 -4 2.54306 0.99010 17 6 2 -4 1.09817 0.94147 5 -6 -2 4 1.35300 1.34971 22 -6 -2 4 1.23743 1.65248 23 -6 -2 4 -0.0253 1.16561 7 -6 -2 4 0.88940 0.99628 24 -6 -2 4 0.06312 1.53594 4 -6 -2 4 1.46894 1.24757 16 -6 -2 4 2.77409 0.88079 1 -6 -2 4 -1.1201 1.30948 8 -6 -2 4 3.91649 1.39949 10 -6 -2 4 1.18522 0.76179 1 -6 -2 4 5.02446 1.83001 21 5 2 -4 1158.04 29.0702 18 5 2 -4 1207.35 28.0031 5 5 2 -4 1229.33 29.4913 2 5 2 -4 1203.35 30.0206 11 5 2 -4 1206.29 28.6815 14 5 2 -4 1213.30 27.9757 17 -5 -2 4 1190.55 29.1642 16 -5 -2 4 1139.36 29.5321 4 -5 -2 4 1145.90 29.1475 22 -5 -2 4 1170.84 28.6695 7 -5 -2 4 1209.71 28.2208 24 -5 -2 4 1154.38 29.4918 23 -5 -2 4 1190.45 27.9450 1 -5 -2 4 1178.50 27.9445 1 -5 -2 4 1109.27 29.3321 8 -5 -2 4 1117.86 29.3792 21 -5 -2 4 1171.11 28.5561 10 4 2 -4 911.164 21.4042 14 4 2 -4 909.053 20.7128 5 4 2 -4 880.152 21.7583 18 4 2 -4 855.636 22.4497 11 4 2 -4 855.205 21.9376 2 -4 -2 4 866.161 22.1371 23 -4 -2 4 851.921 22.1543 4 -4 -2 4 864.801 20.8593 24 -4 -2 4 869.405 21.7685 16 -4 -2 4 870.028 22.1077 21 -4 -2 4 905.117 21.8346 18 -4 -2 4 852.128 21.0531 1 -4 -2 4 884.635 22.1914 8 -4 -2 4 855.965 21.0691 1 -4 -2 4 865.231 21.8899 22 -4 -2 4 885.512 21.3434 10 -4 -2 4 856.529 21.2917 7 3 2 -4 222.813 6.12573 14 3 2 -4 223.412 6.23159 1 3 2 -4 217.451 6.64307 2 3 2 -4 216.825 6.44840 18 3 2 -4 225.412 5.71607 17 -3 -2 4 217.213 6.42723 3 -3 -2 4 218.057 6.78769 23 -3 -2 4 215.910 6.76256 4 -3 -2 4 215.234 6.51264 12 -3 -2 4 210.373 6.64640 21 -3 -2 4 215.380 6.19144 10 -3 -2 4 213.139 6.22640 1 -3 -2 4 210.542 6.70918 8 -3 -2 4 211.998 6.22810 1 -3 -2 4 226.341 6.51247 18 -3 -2 4 221.839 6.67031 22 2 2 -4 15.6380 1.41403 1 2 2 -4 15.1353 0.97557 17 2 2 -4 16.4698 1.69355 11 2 2 -4 13.6657 1.16073 14 2 2 -4 18.2391 1.37726 18 2 2 -4 19.3341 1.68453 2 -2 -2 4 15.5590 1.52535 12 -2 -2 4 11.5972 1.42372 20 -2 -2 4 16.9198 1.63194 22 -2 -2 4 13.4813 1.32050 3 -2 -2 4 18.2013 1.43908 18 -2 -2 4 11.6859 1.27468 21 -2 -2 4 15.6345 1.58144 4 -2 -2 4 16.0768 1.33394 10 -2 -2 4 12.5099 1.48680 8 -2 -2 4 16.4967 1.43383 1 -2 -2 4 17.4329 1.69337 11 -2 -2 4 13.9502 1.34413 1 1 2 -4 1894.04 43.4975 11 1 2 -4 1876.98 42.8050 17 1 2 -4 1869.06 43.1191 18 1 2 -4 1857.48 43.3338 1 1 2 -4 1883.07 43.3559 2 -1 -2 4 1864.68 43.1144 18 -1 -2 4 1898.29 43.3519 3 -1 -2 4 1800.34 43.3720 11 -1 -2 4 1835.02 43.1807 4 -1 -2 4 1853.85 43.2223 8 -1 -2 4 1918.72 43.2762 12 -1 -2 4 1907.34 43.0186 21 -1 -2 4 1817.15 43.3878 20 -1 -2 4 1852.37 42.8151 17 -1 -2 4 1847.29 43.3628 1 0 2 -4 1087.16 24.5711 19 0 2 -4 1096.51 25.1400 18 0 2 -4 1040.64 25.1541 11 0 2 -4 1064.63 25.0490 17 0 2 -4 1050.23 25.3136 1 0 2 -4 1072.25 25.2373 9 0 2 -4 1097.62 25.2842 2 0 -2 4 1090.19 25.3458 3 0 -2 4 1043.66 25.0122 12 0 -2 4 1047.62 25.3108 1 0 -2 4 1047.50 25.0519 17 0 -2 4 1058.23 25.1539 20 0 -2 4 1048.32 25.2989 1 0 -2 4 1048.99 25.0848 18 0 -2 4 1076.56 25.1365 11 -1 2 -4 1588.08 37.9290 24 -1 2 -4 1680.21 38.2681 9 -1 2 -4 1604.02 38.2850 1 -1 2 -4 1629.67 37.9279 19 -1 2 -4 1664.19 38.1590 16 -1 2 -4 1657.85 38.1172 11 -1 2 -4 1590.46 38.0398 14 -1 2 -4 1635.23 38.3433 1 -1 2 -4 1634.16 38.3105 2 -1 2 -4 1733.48 38.4495 17 1 -2 4 1575.28 38.3496 17 1 -2 4 1713.38 38.0962 11 1 -2 4 1646.96 38.4182 3 1 -2 4 1610.23 38.2169 13 1 -2 4 1641.47 37.9949 20 1 -2 4 1652.29 38.3506 1 -2 2 -4 639.543 15.9338 23 -2 2 -4 609.074 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2 0 -4 26 80.3108 8.60380 3 0 -4 26 78.0712 8.77015 12 -1 4 -26 6.47843 5.47392 16 -1 4 -26 20.7394 5.76066 2 1 -4 26 19.3481 5.67823 12 1 -4 26 16.1976 5.46248 3 -2 4 -26 9.01198 5.35248 16 -2 4 -26 9.80330 4.97681 2 2 -4 26 19.9070 5.69808 12 2 -4 26 10.9164 5.22521 3 -3 4 -26 25.2201 5.75130 2 -3 4 -26 22.2909 6.01072 16 3 -4 26 16.4872 5.60996 12 3 -4 26 22.9603 6.10952 3 4 3 -26 19.0719 5.67413 2 4 3 -26 21.1215 5.70578 14 -4 -3 26 23.5922 6.26228 8 -4 -3 26 13.2317 5.25907 22 -4 -3 26 24.2837 6.13377 12 3 3 -26 16.0408 5.50776 2 3 3 -26 9.87341 5.20610 16 3 3 -26 15.8147 5.43099 14 -3 -3 26 16.4491 5.82684 12 -3 -3 26 15.1685 5.72091 8 -3 -3 26 10.9048 5.25381 22 2 3 -26 9.74210 4.99332 14 2 3 -26 6.03249 4.68887 2 2 3 -26 11.4595 5.45214 16 -2 -3 26 10.2082 5.29023 12 -2 -3 26 23.1212 6.16761 8 1 3 -26 38.4970 6.84462 2 1 3 -26 59.3051 8.10531 16 1 3 -26 40.2272 6.89756 14 -1 -3 26 40.7157 6.70231 8 -1 -3 26 40.9143 7.38164 12 0 3 -26 25.9975 6.16676 14 0 3 -26 28.3453 6.17459 2 0 3 -26 27.3465 6.17341 16 0 -3 26 33.0977 6.17706 3 0 -3 26 42.7160 6.96663 12 -1 3 -26 -0.6948 4.40782 2 -1 3 -26 -4.3289 4.14430 16 -1 3 -26 6.73137 5.01297 14 1 -3 26 3.54171 4.54772 3 1 -3 26 -1.6368 4.54412 12 -2 3 -26 21.5631 6.19802 16 -2 3 -26 29.7364 6.26555 2 2 -3 26 18.4791 5.76360 3 2 -3 26 28.9406 6.13003 12 -3 3 -26 35.3829 7.68842 16 3 -3 26 39.1859 7.59562 12 3 -3 26 41.6621 7.36288 3 4 2 -26 31.6759 6.50423 2 4 2 -26 45.4818 7.69919 14 -4 -2 26 55.0726 9.04407 12 -4 -2 26 48.4893 9.07982 8 3 2 -26 21.0532 5.84551 14 3 2 -26 12.1208 5.01962 2 3 2 -26 11.9572 5.53166 16 -3 -2 26 19.1275 5.93413 12 -3 -2 26 14.0423 5.63938 8 2 2 -26 14.2353 5.25450 2 2 2 -26 9.68841 5.11349 14 2 2 -26 14.8181 5.74238 16 -2 -2 26 15.9369 5.50880 12 -2 -2 26 25.0197 6.20990 8 1 2 -26 26.1097 6.38113 14 1 2 -26 20.7719 5.50936 2 1 2 -26 34.3029 6.58098 16 -1 -2 26 42.9020 7.28180 8 -1 -2 26 28.7552 6.25475 12 0 2 -26 36.4287 6.72059 16 0 2 -26 46.4599 7.63157 14 0 2 -26 44.2596 6.78091 2 0 -2 26 32.4249 6.85470 12 0 -2 26 31.4739 6.29449 8 -1 2 -26 2.57800 4.83006 16 -1 2 -26 -0.9036 4.67245 14 1 -2 26 1.17551 4.44210 3 1 -2 26 2.08686 4.86921 12 -2 2 -26 19.9599 6.05722 16 2 -2 26 16.8432 5.78074 12 2 -2 26 19.6940 5.95385 3 3 1 -26 1.91188 6.04040 14 3 1 -26 2.61137 6.08546 16 3 1 -26 2.09068 4.31625 2 -3 -1 26 -3.5447 7.14796 8 -3 -1 26 3.93891 7.98714 12 2 1 -26 2.66062 4.55032 16 2 1 -26 10.1920 5.12686 14 2 1 -26 -2.1473 4.06222 2 -2 -1 26 -0.5033 4.65766 12 -2 -1 26 10.4696 5.55912 8 1 1 -26 16.2015 5.59243 16 1 1 -26 6.62697 5.05170 14 -1 -1 26 4.81970 4.96346 8 -1 -1 26 11.2534 5.27890 12 0 1 -26 8.13104 5.15226 14 0 1 -26 16.3903 5.62938 16 0 -1 26 8.44175 5.53699 12 0 -1 26 4.14893 4.93954 8 -1 1 -26 -2.4367 7.27500 14 -1 1 -26 5.46625 6.80466 16 1 -1 26 3.66200 4.42718 8 1 -1 26 0.06775 4.37960 3 1 -1 26 -1.5901 7.41422 12 1 9 -27 29.5529 8.87016 16 -1 -9 27 22.3407 8.90994 3 0 9 -27 25.0830 7.62258 23 0 9 -27 22.6390 8.92451 16 0 -9 27 34.7102 7.26300 12 2 8 -27 19.5884 6.41317 16 -2 -8 27 27.9290 9.44878 22 -2 -8 27 21.9147 5.85170 3 -2 -8 27 34.0210 10.2313 12 1 8 -27 35.1487 6.44065 16 1 8 -27 32.2116 7.25472 2 -1 -8 27 25.9636 6.32988 12 -1 -8 27 31.4365 6.81027 22 -1 -8 27 22.2167 6.11617 3 0 8 -27 22.9572 6.14095 23 0 8 -27 27.2803 7.27674 2 0 8 -27 18.7366 5.82636 16 0 -8 27 11.7655 5.65075 22 0 -8 27 28.4682 6.01626 12 0 -8 27 34.7065 7.04154 3 -1 8 -27 5.78269 6.98597 2 -1 8 -27 11.2154 6.10758 16 -1 8 -27 16.3067 5.59148 23 1 -8 27 8.47641 5.01830 12 1 -8 27 13.1765 6.13561 3 2 7 -27 18.0485 5.90931 16 2 7 -27 0.10330 5.15195 2 -2 -7 27 0.35663 4.87639 22 -2 -7 27 11.3499 5.49565 12 1 7 -27 11.7367 5.41196 16 1 7 -27 8.41171 5.36548 2 -1 -7 27 8.71213 4.94213 3 -1 -7 27 13.3783 5.58949 12 -1 -7 27 16.4168 5.80826 22 0 7 -27 39.1957 7.21274 2 0 7 -27 43.2199 7.14480 16 0 -7 27 47.2615 7.34173 12 0 -7 27 33.7677 6.94526 3 -1 7 -27 13.7366 5.60053 2 -1 7 -27 8.72527 5.36537 16 1 -7 27 6.30325 4.89513 12 1 -7 27 10.6767 5.44650 3 2 -7 27 2.53641 7.45581 3 2 -7 27 13.8722 5.72774 12 -3 -6 27 51.4916 10.9271 22 2 6 -27 1.70717 4.61653 2 2 6 -27 2.67881 5.08515 16 -2 -6 27 -7.5241 4.48623 12 -2 -6 27 -4.4708 4.50908 22 1 6 -27 4.58357 4.98032 2 1 6 -27 5.88572 5.27694 16 -1 -6 27 4.40776 4.87217 12 -1 -6 27 2.09552 4.48876 3 0 6 -27 63.0836 8.15736 2 0 6 -27 70.1181 8.49981 16 0 -6 27 66.1709 8.26408 3 0 -6 27 76.6369 8.50679 12 -1 6 -27 14.3686 5.69321 16 -1 6 -27 11.8470 5.47300 2 1 -6 27 15.6016 5.29807 12 1 -6 27 13.2157 5.73561 3 2 -6 27 -2.1965 6.71683 3 2 -6 27 5.52928 6.97399 12 -3 -5 27 8.16154 6.30819 22 -3 -5 27 18.0355 6.55747 8 2 5 -27 9.78477 5.42923 2 2 5 -27 7.79823 5.22681 16 2 5 -27 6.07478 4.41557 14 -2 -5 27 4.17658 5.16840 12 -2 -5 27 7.34100 5.42465 22 1 5 -27 27.4630 6.40095 2 1 5 -27 21.7040 5.76855 14 1 5 -27 26.5689 6.52448 16 -1 -5 27 11.7573 5.28293 12 0 5 -27 49.3858 7.56148 16 0 5 -27 46.5716 7.53935 2 0 -5 27 52.4829 7.48798 12 0 -5 27 46.1234 7.16074 3 -1 5 -27 8.29196 5.82870 16 -1 5 -27 2.60117 4.56258 2 1 -5 27 5.79415 4.85652 3 1 -5 27 9.76886 5.30048 12 2 4 -27 31.7758 6.43071 14 2 4 -27 40.5960 7.62364 2 2 4 -27 37.7933 9.42468 16 -2 -4 27 32.3000 6.47199 8 -2 -4 27 46.4073 11.1887 12 1 4 -27 31.0696 6.61164 14 1 4 -27 22.5758 6.88611 16 1 4 -27 36.8867 6.61842 2 -1 -4 27 30.4651 6.77463 12 0 4 -27 9.75989 5.00806 14 0 4 -27 9.77318 5.65200 16 0 4 -27 9.76932 4.94476 2 0 -4 27 5.07472 5.68632 12 0 -4 27 8.98341 4.95709 3 -1 4 -27 1.55848 4.65191 2 1 -4 27 6.78741 5.47290 3 1 3 -27 0.12006 5.45171 2 -1 -3 27 -4.3741 5.01100 8 0 0 0 0.00 0.00 0 _exptl_absorpt_process_details ) SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10 ) _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_max 0.7483 _exptl_absorpt_correction_T_min 0.6804 _exptl_special_details ) The following wavelength and cell were deduced by SADABS from the direction cosines etc. They are given here for emergency use only: CELL 0.71070 8.018 9.952 14.540 109.138 92.142 95.422 ) ; _shelx_hkl_checksum 93363 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 Ge1 Ge 0.500000 0.500000 0.000000 0.00834(2) Uani 1 2 d S . P . . P1 P 0.19946(2) 0.48634(2) 0.14644(2) 0.01144(3) Uani 1 1 d . . . . . O1 O 0.28582(5) 0.52363(5) 0.06510(3) 0.01248(7) Uani 1 1 d . . . . . O2 O 0.60106(5) 0.46967(4) 0.10674(3) 0.01029(6) Uani 1 1 d . . . . . O3 O 0.56594(5) 0.69376(4) 0.05858(3) 0.01186(6) Uani 1 1 d . . . . . C1 C 0.63338(6) 0.59702(6) 0.17967(4) 0.01065(8) Uani 1 1 d . . . . . C2 C 0.61560(7) 0.72022(6) 0.15365(4) 0.01136(8) Uani 1 1 d . . . . . C3 C 0.64568(8) 0.85658(6) 0.22413(4) 0.01428(9) Uani 1 1 d . . . . . C4 C 0.68614(8) 0.86359(7) 0.32101(4) 0.01672(10) Uani 1 1 d . . . . . H4 H 0.704899 0.955223 0.370157 0.020 Uiso 1 1 calc R U . . . C5 C 0.70002(8) 0.74311(7) 0.34839(4) 0.01550(9) Uani 1 1 d . . . . . C6 C 0.67559(7) 0.60783(6) 0.27536(4) 0.01310(8) Uani 1 1 d . . . . . H6 H 0.687993 0.524001 0.291540 0.016 Uiso 1 1 calc R U . . . C7 C 0.63580(9) 0.99084(6) 0.19540(5) 0.01819(10) Uani 1 1 d . . . . . C8 C 0.45888(10) 0.99062(8) 0.15108(7) 0.02810(15) Uani 1 1 d . . . . . H8A H 0.377100 0.992703 0.199905 0.042 Uiso 1 1 calc R U . . . H8B H 0.431248 0.903815 0.094160 0.042 Uiso 1 1 calc R U . . . H8C H 0.455291 1.075193 0.130867 0.042 Uiso 1 1 calc R U . . . C9 C 0.76323(10) 0.99291(8) 0.11939(6) 0.02479(13) Uani 1 1 d . . . . . H9A H 0.757462 1.078934 0.101093 0.037 Uiso 1 1 calc R U . . . H9B H 0.736830 0.907530 0.061332 0.037 Uiso 1 1 calc R U . . . H9C H 0.876749 0.993570 0.147216 0.037 Uiso 1 1 calc R U . . . C10 C 0.67609(14) 1.12976(8) 0.28276(6) 0.03166(17) Uani 1 1 d . . . . . H10A H 0.594883 1.132147 0.331922 0.047 Uiso 1 1 calc R U . . . H10B H 0.669292 1.212335 0.260661 0.047 Uiso 1 1 calc R U . . . H10C H 0.789805 1.133435 0.311433 0.047 Uiso 1 1 calc R U . . . C11 C 0.73635(9) 0.75152(8) 0.45468(4) 0.01940(11) Uani 1 1 d . . . . . C12 C 0.75067(13) 0.90525(9) 0.52626(5) 0.03083(17) Uani 1 1 d . . . . . H12A H 0.845345 0.962429 0.511128 0.046 Uiso 1 1 calc R U . . . H12B H 0.769258 0.904509 0.593140 0.046 Uiso 1 1 calc R U . . . H12C H 0.646556 0.947123 0.520295 0.046 Uiso 1 1 calc R U . . . C13 C 0.90177(11) 0.69002(12) 0.46511(6) 0.03239(17) Uani 1 1 d . . . . . H13A H 0.893307 0.589917 0.422336 0.049 Uiso 1 1 calc R U . . . H13B H 0.923730 0.695150 0.533055 0.049 Uiso 1 1 calc R U . . . H13C H 0.993989 0.745702 0.446590 0.049 Uiso 1 1 calc R U . . . C14 C 0.59164(11) 0.66454(10) 0.48370(5) 0.03033(17) Uani 1 1 d . . . . . H14A H 0.485755 0.702895 0.475849 0.046 Uiso 1 1 calc R U . . . H14B H 0.612476 0.671147 0.552028 0.046 Uiso 1 1 calc R U . . . H14C H 0.584322 0.564067 0.441746 0.046 Uiso 1 1 calc R U . . . C15 C 0.21055(8) 0.64047(8) 0.25559(4) 0.01888(11) Uani 1 1 d . . . . . H15A H 0.159997 0.610938 0.308115 0.023 Uiso 1 1 calc R U . . . H15B H 0.330152 0.675794 0.276747 0.023 Uiso 1 1 calc R U . . . C16 C 0.12127(10) 0.76280(8) 0.24280(5) 0.02291(12) Uani 1 1 d . . . . . H16A H 0.169352 0.791936 0.190283 0.034 Uiso 1 1 calc R U . . . H16B H 0.135925 0.844302 0.303856 0.034 Uiso 1 1 calc R U . . . H16C H 0.001195 0.730738 0.226061 0.034 Uiso 1 1 calc R U . . . C17 C 0.28685(8) 0.34652(7) 0.17904(5) 0.01718(10) Uani 1 1 d . . . . . H17A H 0.294949 0.264668 0.118778 0.021 Uiso 1 1 calc R U . . . H17B H 0.402270 0.382382 0.209254 0.021 Uiso 1 1 calc R U . . . C18 C 0.18447(10) 0.29329(9) 0.24979(6) 0.02474(13) Uani 1 1 d . . . . . H18A H 0.175345 0.373618 0.309671 0.037 Uiso 1 1 calc R U . . . H18B H 0.240760 0.219659 0.265844 0.037 Uiso 1 1 calc R U . . . H18C H 0.071811 0.252562 0.219101 0.037 Uiso 1 1 calc R U . . . C19 C -0.01752(7) 0.42531(7) 0.10696(5) 0.01555(9) Uani 1 1 d . . . . . H19A H -0.077780 0.413266 0.162506 0.019 Uiso 1 1 calc R U . . . H19B H -0.068406 0.498892 0.086487 0.019 Uiso 1 1 calc R U . . . C20 C -0.04018(9) 0.28349(7) 0.02215(5) 0.02037(11) Uani 1 1 d . . . . . H20A H 0.031279 0.290942 -0.029660 0.031 Uiso 1 1 calc R U . . . H20B H -0.158064 0.261957 -0.003520 0.031 Uiso 1 1 calc R U . . . H20C H -0.008270 0.206651 0.045241 0.031 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 Ge1 0.00736(3) 0.00935(3) 0.00817(3) 0.00265(2) 0.00079(2) 0.00123(2) P1 0.00862(5) 0.01623(6) 0.01066(5) 0.00549(5) 0.00261(4) 0.00285(4) O1 0.00964(14) 0.01733(17) 0.01278(15) 0.00719(13) 0.00369(12) 0.00374(12) O2 0.01029(14) 0.01057(14) 0.00951(14) 0.00267(11) -0.00006(11) 0.00143(11) O3 0.01391(16) 0.01072(15) 0.01036(14) 0.00308(12) -0.00014(12) 0.00040(12) C1 0.00915(17) 0.01213(19) 0.00968(17) 0.00245(15) 0.00076(14) 0.00063(14) C2 0.01126(18) 0.01145(19) 0.01030(18) 0.00243(15) 0.00125(15) 0.00014(15) C3 0.0161(2) 0.0117(2) 0.0129(2) 0.00158(16) 0.00263(17) -0.00039(16) C4 0.0194(2) 0.0152(2) 0.0119(2) 0.00045(17) 0.00195(18) -0.00181(18) C5 0.0155(2) 0.0187(2) 0.00995(19) 0.00259(17) 0.00102(16) -0.00183(18) C6 0.0125(2) 0.0157(2) 0.01051(19) 0.00399(16) 0.00051(15) 0.00024(16) C7 0.0232(3) 0.0112(2) 0.0184(2) 0.00284(18) 0.0038(2) -0.00020(19) C8 0.0265(3) 0.0176(3) 0.0416(4) 0.0108(3) 0.0018(3) 0.0068(2) C9 0.0297(3) 0.0187(3) 0.0260(3) 0.0086(2) 0.0083(3) -0.0034(2) C10 0.0521(5) 0.0124(3) 0.0251(3) 0.0001(2) 0.0050(3) -0.0016(3) C11 0.0213(3) 0.0238(3) 0.0099(2) 0.00308(19) 0.00050(18) -0.0037(2) C12 0.0456(5) 0.0272(3) 0.0127(2) 0.0002(2) -0.0004(3) -0.0055(3) C13 0.0308(4) 0.0500(5) 0.0164(3) 0.0106(3) -0.0029(3) 0.0080(3) C14 0.0345(4) 0.0383(4) 0.0143(3) 0.0078(3) 0.0032(2) -0.0122(3) C15 0.0176(2) 0.0244(3) 0.0125(2) 0.0027(2) 0.00326(18) 0.0036(2) C16 0.0252(3) 0.0182(3) 0.0221(3) 0.0021(2) 0.0041(2) 0.0025(2) C17 0.0141(2) 0.0232(3) 0.0192(2) 0.0129(2) 0.00323(18) 0.00470(19) C18 0.0247(3) 0.0324(4) 0.0256(3) 0.0202(3) 0.0066(2) 0.0048(3) C19 0.00938(19) 0.0215(2) 0.0176(2) 0.00886(19) 0.00218(16) 0.00186(17) C20 0.0188(3) 0.0202(3) 0.0219(3) 0.0084(2) -0.0021(2) -0.0022(2) 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ge Ge 0.1547 1.8001 '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 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 Ge1 O2 179.999(12) 2_665 . ? O2 Ge1 O3 91.39(3) 2_665 . ? O2 Ge1 O3 88.61(3) . . ? O2 Ge1 O3 88.61(3) 2_665 2_665 ? O2 Ge1 O3 91.39(3) . 2_665 ? O3 Ge1 O3 180.0 . 2_665 ? O2 Ge1 O1 90.25(3) 2_665 2_665 ? O2 Ge1 O1 89.75(3) . 2_665 ? O3 Ge1 O1 90.36(3) . 2_665 ? O3 Ge1 O1 89.64(3) 2_665 2_665 ? O2 Ge1 O1 89.75(3) 2_665 . ? O2 Ge1 O1 90.25(3) . . ? O3 Ge1 O1 89.64(3) . . ? O3 Ge1 O1 90.36(3) 2_665 . ? O1 Ge1 O1 180.0 2_665 . ? O1 P1 C19 108.75(4) . . ? O1 P1 C17 113.76(3) . . ? C19 P1 C17 107.18(4) . . ? O1 P1 C15 111.03(4) . . ? C19 P1 C15 108.60(3) . . ? C17 P1 C15 107.34(4) . . ? P1 O1 Ge1 139.50(3) . . ? C1 O2 Ge1 108.56(4) . . ? C2 O3 Ge1 109.15(4) . . ? O2 C1 C6 122.69(5) . . ? O2 C1 C2 116.12(5) . . ? C6 C1 C2 121.15(5) . . ? O3 C2 C3 124.76(5) . . ? O3 C2 C1 114.96(5) . . ? C3 C2 C1 120.27(6) . . ? C2 C3 C4 117.05(6) . . ? C2 C3 C7 120.54(6) . . ? C4 C3 C7 122.41(5) . . ? C5 C4 C3 123.41(5) . . ? C5 C4 H4 118.3 . . ? C3 C4 H4 118.3 . . ? C4 C5 C6 118.25(6) . . ? C4 C5 C11 122.98(6) . . ? C6 C5 C11 118.75(6) . . ? C1 C6 C5 119.80(6) . . ? C1 C6 H6 120.1 . . ? C5 C6 H6 120.1 . . ? C3 C7 C8 110.25(6) . . ? C3 C7 C9 109.33(6) . . ? C8 C7 C9 108.91(7) . . ? C3 C7 C10 112.53(7) . . ? C8 C7 C10 107.95(7) . . ? C9 C7 C10 107.78(6) . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C7 C10 H10A 109.5 . . ? C7 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C7 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C12 C11 C13 108.07(7) . . ? C12 C11 C5 112.61(6) . . ? C13 C11 C5 109.95(6) . . ? C12 C11 C14 107.68(7) . . ? C13 C11 C14 109.59(8) . . ? C5 C11 C14 108.89(6) . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C11 C14 H14A 109.5 . . ? C11 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C11 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 P1 113.68(5) . . ? C16 C15 H15A 108.8 . . ? P1 C15 H15A 108.8 . . ? C16 C15 H15B 108.8 . . ? P1 C15 H15B 108.8 . . ? H15A C15 H15B 107.7 . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C18 C17 P1 113.84(5) . . ? C18 C17 H17A 108.8 . . ? P1 C17 H17A 108.8 . . ? C18 C17 H17B 108.8 . . ? P1 C17 H17B 108.8 . . ? H17A C17 H17B 107.7 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C20 C19 P1 112.37(5) . . ? C20 C19 H19A 109.1 . . ? P1 C19 H19A 109.1 . . ? C20 C19 H19B 109.1 . . ? P1 C19 H19B 109.1 . . ? H19A C19 H19B 107.9 . . ? C19 C20 H20A 109.5 . . ? C19 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? 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 Ge1 O2 1.8467(7) 2_665 ? Ge1 O2 1.8467(7) . ? Ge1 O3 1.8484(8) . ? Ge1 O3 1.8484(8) 2_665 ? Ge1 O1 1.9862(8) 2_665 ? Ge1 O1 1.9863(8) . ? P1 O1 1.5208(7) . ? P1 C19 1.7940(9) . ? P1 C17 1.7996(8) . ? P1 C15 1.8006(9) . ? O2 C1 1.3535(8) . ? O3 C2 1.3551(9) . ? C1 C6 1.3851(10) . ? C1 C2 1.4132(9) . ? C2 C3 1.3984(9) . ? C3 C4 1.4101(10) . ? C3 C7 1.5317(10) . ? C4 C5 1.3930(10) . ? C4 H4 0.9500 . ? C5 C6 1.4048(9) . ? C5 C11 1.5341(11) . ? C6 H6 0.9500 . ? C7 C8 1.5344(12) . ? C7 C9 1.5353(11) . ? C7 C10 1.5362(11) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 C12 1.5322(12) . ? C11 C13 1.5335(13) . ? C11 C14 1.5353(11) . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 C16 1.5259(11) . ? C15 H15A 0.9900 . ? C15 H15B 0.9900 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 C18 1.5321(10) . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 C20 1.5284(11) . ? C19 H19A 0.9900 . ? C19 H19B 0.9900 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C17 H17B O2 0.99 2.50 3.0661(12) 115.7 . 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 C19 P1 O1 Ge1 -137.84(5) . . . . ? C17 P1 O1 Ge1 -18.48(5) . . . . ? C15 P1 O1 Ge1 102.73(5) . . . . ? O3 Ge1 O2 C1 14.22(4) . . . . ? O3 Ge1 O2 C1 -165.77(3) 2_665 . . . ? O1 Ge1 O2 C1 104.59(4) 2_665 . . . ? O1 Ge1 O2 C1 -75.41(4) . . . . ? O2 Ge1 O3 C2 166.10(4) 2_665 . . . ? O2 Ge1 O3 C2 -13.90(4) . . . . ? O1 Ge1 O3 C2 -103.64(4) 2_665 . . . ? O1 Ge1 O3 C2 76.36(4) . . . . ? Ge1 O2 C1 C6 165.99(4) . . . . ? Ge1 O2 C1 C2 -11.73(5) . . . . ? Ge1 O3 C2 C3 -168.34(5) . . . . ? Ge1 O3 C2 C1 10.50(6) . . . . ? O2 C1 C2 O3 0.86(7) . . . . ? C6 C1 C2 O3 -176.90(5) . . . . ? O2 C1 C2 C3 179.76(5) . . . . ? C6 C1 C2 C3 2.00(8) . . . . ? O3 C2 C3 C4 176.00(5) . . . . ? C1 C2 C3 C4 -2.78(8) . . . . ? O3 C2 C3 C7 -4.49(9) . . . . ? C1 C2 C3 C7 176.73(5) . . . . ? C2 C3 C4 C5 1.18(9) . . . . ? C7 C3 C4 C5 -178.32(6) . . . . ? C3 C4 C5 C6 1.26(9) . . . . ? C3 C4 C5 C11 -177.19(6) . . . . ? O2 C1 C6 C5 -177.07(5) . . . . ? C2 C1 C6 C5 0.54(8) . . . . ? C4 C5 C6 C1 -2.11(9) . . . . ? C11 C5 C6 C1 176.41(5) . . . . ? C2 C3 C7 C8 60.50(8) . . . . ? C4 C3 C7 C8 -120.01(7) . . . . ? C2 C3 C7 C9 -59.20(8) . . . . ? C4 C3 C7 C9 120.28(7) . . . . ? C2 C3 C7 C10 -178.93(6) . . . . ? C4 C3 C7 C10 0.56(9) . . . . ? C4 C5 C11 C12 1.50(9) . . . . ? C6 C5 C11 C12 -176.94(6) . . . . ? C4 C5 C11 C13 -119.07(8) . . . . ? C6 C5 C11 C13 62.48(8) . . . . ? C4 C5 C11 C14 120.85(8) . . . . ? C6 C5 C11 C14 -57.59(9) . . . . ? O1 P1 C15 C16 62.26(6) . . . . ? C19 P1 C15 C16 -57.27(6) . . . . ? C17 P1 C15 C16 -172.84(5) . . . . ? O1 P1 C17 C18 -171.40(5) . . . . ? C19 P1 C17 C18 -51.15(6) . . . . ? C15 P1 C17 C18 65.36(6) . . . . ? O1 P1 C19 C20 66.33(6) . . . . ? C17 P1 C19 C20 -57.05(6) . . . . ? C15 P1 C19 C20 -172.73(5) . . . . ?