#------------------------------------------------------------------------------ #$Date: 2016-04-06 19:44:30 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181914 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/13/2241396.hkl $ #------------------------------------------------------------------------------ # # 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_2241396 loop_ _publ_author_name 'Zaitsev, Kirill V.' 'Zaitseva, Galina S.' 'Karlov, Sergey S.' 'Korlyukov, Alexander A.' _publ_contact_author_address ; Department of Chemistry, M.V. Lomonosov Moscow State University, Leninskie Gory 1/3, 119991 Moscow, Russia ; _publ_contact_author_email sergej@org.chem.msu.ru _publ_contact_author_fax +7-495-9328846 _publ_contact_author_name 'Sergey S. Karlov' _publ_contact_author_phone +7-495-9393887 _publ_section_related_literature ; For general background to the chemistry Group 14 element catenated compounds, see: Marschner & Hlina (2013), Amadoruge & Weinert (2008). As apart of our studies of the chemistry of oligogermanium compounds (Zaitsev et al. 2012, 2013, 2014a), the title compound was obtained and studied. For related crystal structures of silagermanes, see: Zaitsev et al. (2015). ; _publ_section_title ; Crystal structure of triphenyl(tert-butyldimethylsilyl)germane, Ph~3~Ge-SiMe~2~(t-Bu) ; _publ_section_keywords ; catenated compounds, silagermanes ; _chemical_formula_moiety 'C24 H30 Ge Si' _chemical_formula_sum 'C24 H30 Ge Si' _chemical_formula_weight 419.16 _chemical_melting_point ? _chemical_name_common ? _chemical_name_systematic ? _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _audit_creation_date 2015-09-25 _audit_creation_method ; Olex2 1.2 (compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998) ; _cell_angle_alpha 90 _cell_angle_beta 106.2048(10) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 13.5332(6) _cell_length_b 14.9825(7) _cell_length_c 22.7179(13) _cell_measurement_reflns_used 8565 _cell_measurement_temperature 120 _cell_measurement_theta_max 31.69 _cell_measurement_theta_min 2.45 _cell_volume 4423.3(4) _computing_cell_refinement 'SAINT v8.34A (Bruker, 2013)' _computing_data_collection 'APEX2 (Bruker, 2013)' _computing_data_reduction 'SAINT v8.34A (Bruker, 2013)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2008)' _computing_structure_solution ? _diffrn_ambient_temperature 120 _diffrn_detector_area_resol_mean 8 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.985 _diffrn_measurement_device_type 'Bruker SMART APEX II CCD area detector' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0433 _diffrn_reflns_av_unetI/netI 0.0434 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.985 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_number 32242 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.985 _diffrn_reflns_theta_full 26.000 _diffrn_reflns_theta_max 32.638 _diffrn_reflns_theta_min 1.867 _diffrn_source 'sealed tube' _exptl_absorpt_coefficient_mu 1.444 _exptl_absorpt_correction_T_max 0.8623 _exptl_absorpt_correction_T_min 0.7195 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0820 before and 0.0431 after correction. The Ratio of minimum to maximum transmission is 0.8344. The \l/2 correction factor is 0.0015. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.259 _exptl_crystal_density_meas . _exptl_crystal_density_method ? _exptl_crystal_description irregular _exptl_crystal_F_000 1760 _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.29 _exptl_crystal_size_min 0.24 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _refine_diff_density_max 0.434 _refine_diff_density_min -0.373 _refine_diff_density_rms 0.071 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 240 _refine_ls_number_reflns 7990 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.010 _refine_ls_R_factor_all 0.0544 _refine_ls_R_factor_gt 0.0325 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0303P)^2^+1.8636P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0644 _refine_ls_wR_factor_ref 0.0709 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 6137 _reflns_number_total 7990 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL 1 in C2/c CELL 0.71073 13.5332 14.9825 22.71793 90 106.2048 90 ZERR 8 0.0006 0.0007 0.00125 0 0.001 0 LATT 7 SYMM -X,+Y,0.5-Z SFAC C H Ge Si UNIT 192 240 8 8 L.S. 4 PLAN 20 TEMP 0 BOND MORE -1 BOND $H CONF fmap 2 acta 52 REM REM REM WGHT 0.030300 1.863600 FVAR 0.06555 GE1 3 0.363537 0.035577 0.372476 11.00000 0.01210 0.01250 = 0.01693 -0.00168 0.00481 -0.00005 SI1 4 0.262942 0.072577 0.270441 11.00000 0.01585 0.01453 = 0.01666 -0.00171 0.00463 0.00156 C1 1 0.194676 -0.026255 0.223332 11.00000 0.01746 0.01889 = 0.01959 -0.00429 0.00214 0.00254 C2 1 0.147602 -0.088080 0.262220 11.00000 0.02597 0.02659 = 0.02930 -0.00384 0.00416 -0.00834 AFIX 137 H2A 2 0.201513 -0.113489 0.294717 11.00000 -1.50000 H2B 2 0.109892 -0.134993 0.236896 11.00000 -1.50000 H2C 2 0.101976 -0.054404 0.279358 11.00000 -1.50000 AFIX 0 C3 1 0.108423 0.009819 0.169511 11.00000 0.02493 0.03062 = 0.02448 -0.00448 -0.00254 0.00367 AFIX 137 H3A 2 0.058195 0.039933 0.184946 11.00000 -1.50000 H3B 2 0.076279 -0.038834 0.143722 11.00000 -1.50000 H3C 2 0.136816 0.050934 0.146184 11.00000 -1.50000 AFIX 0 C4 1 0.269033 -0.080705 0.197249 11.00000 0.02812 0.02790 = 0.02974 -0.01274 0.00445 0.00597 AFIX 137 H4A 2 0.296681 -0.043198 0.171452 11.00000 -1.50000 H4B 2 0.232729 -0.129754 0.173664 11.00000 -1.50000 H4C 2 0.324136 -0.103172 0.230338 11.00000 -1.50000 AFIX 0 C5 1 0.165009 0.153742 0.281773 11.00000 0.02691 0.02453 = 0.03092 -0.00598 0.00127 0.01120 AFIX 137 H5A 2 0.115205 0.122857 0.297139 11.00000 -1.50000 H5B 2 0.131108 0.181443 0.243337 11.00000 -1.50000 H5C 2 0.198403 0.198622 0.310663 11.00000 -1.50000 AFIX 0 C6 1 0.346866 0.130179 0.229568 11.00000 0.04104 0.03911 = 0.02433 -0.00012 0.01316 -0.01344 AFIX 137 H6A 2 0.380603 0.179825 0.253649 11.00000 -1.50000 H6B 2 0.305578 0.151243 0.190534 11.00000 -1.50000 H6C 2 0.397570 0.089089 0.223504 11.00000 -1.50000 AFIX 0 C7 1 0.481013 0.117675 0.395113 11.00000 0.01518 0.01698 = 0.01609 -0.00149 0.00496 -0.00191 C8 1 0.466135 0.209972 0.386659 11.00000 0.01983 0.01823 = 0.03218 -0.00077 0.00240 -0.00078 AFIX 43 H8 2 0.399742 0.232200 0.371321 11.00000 -1.20000 AFIX 0 C9 1 0.548550 0.268590 0.400744 11.00000 0.02906 0.01822 = 0.03562 -0.00027 0.00389 -0.00642 AFIX 43 H9 2 0.537060 0.329543 0.394752 11.00000 -1.20000 AFIX 0 C10 1 0.647916 0.236843 0.423697 11.00000 0.02312 0.03045 = 0.02249 -0.00180 0.00396 -0.01228 AFIX 43 H10 2 0.703205 0.276250 0.433249 11.00000 -1.20000 AFIX 0 C11 1 0.664361 0.146322 0.432306 11.00000 0.01485 0.03284 = 0.01785 0.00085 0.00211 -0.00259 AFIX 43 H11 2 0.731039 0.124669 0.447520 11.00000 -1.20000 AFIX 0 C12 1 0.581706 0.087176 0.418349 11.00000 0.01756 0.02077 = 0.01680 0.00142 0.00436 -0.00039 AFIX 43 H12 2 0.593881 0.026350 0.424631 11.00000 -1.20000 AFIX 0 C13 1 0.282022 0.052726 0.430883 11.00000 0.01513 0.01580 = 0.01670 -0.00013 0.00444 0.00156 C14 1 0.192619 0.003337 0.426423 11.00000 0.02197 0.02263 = 0.01994 -0.00437 0.00822 -0.00513 AFIX 43 H14 2 0.171934 -0.039150 0.395586 11.00000 -1.20000 AFIX 0 C15 1 0.133992 0.016380 0.467096 11.00000 0.02203 0.03178 = 0.02506 -0.00227 0.01077 -0.00656 AFIX 43 H15 2 0.074972 -0.017439 0.463489 11.00000 -1.20000 AFIX 0 C16 1 0.163605 0.079929 0.513106 11.00000 0.02490 0.03337 = 0.02058 -0.00050 0.01172 0.00406 AFIX 43 H16 2 0.124248 0.089140 0.540209 11.00000 -1.20000 AFIX 0 C17 1 0.251640 0.129363 0.518467 11.00000 0.02773 0.02768 = 0.02000 -0.00728 0.00688 0.00093 AFIX 43 H17 2 0.271691 0.171853 0.549351 11.00000 -1.20000 AFIX 0 C18 1 0.310622 0.116022 0.477927 11.00000 0.01888 0.02085 = 0.02090 -0.00367 0.00514 -0.00170 AFIX 43 H18 2 0.369951 0.149658 0.482140 11.00000 -1.20000 AFIX 0 C19 1 0.419748 -0.085170 0.380530 11.00000 0.01353 0.01231 = 0.01886 -0.00230 0.00339 -0.00029 C20 1 0.479477 -0.111812 0.342169 11.00000 0.01835 0.01869 = 0.02152 0.00065 0.00732 0.00190 AFIX 43 H20 2 0.490743 -0.071867 0.313378 11.00000 -1.20000 AFIX 0 C21 1 0.521964 -0.196296 0.346292 11.00000 0.02155 0.02162 = 0.02902 -0.00451 0.00832 0.00510 AFIX 43 H21 2 0.561079 -0.212764 0.320280 11.00000 -1.20000 AFIX 0 C22 1 0.506331 -0.256422 0.389121 11.00000 0.02563 0.01238 = 0.03267 -0.00247 0.00100 0.00333 AFIX 43 H22 2 0.535121 -0.313183 0.392099 11.00000 -1.20000 AFIX 0 C23 1 0.447598 -0.231542 0.427475 11.00000 0.03062 0.01729 = 0.02394 0.00474 0.00378 -0.00163 AFIX 43 H23 2 0.436620 -0.271835 0.456150 11.00000 -1.20000 AFIX 0 C24 1 0.404869 -0.146365 0.423278 11.00000 0.02010 0.01828 = 0.02012 -0.00086 0.00602 -0.00173 AFIX 43 H24 2 0.365866 -0.130221 0.449424 11.00000 -1.20000 AFIX 0 HKLF 4 REM 1 in C2/c REM R1 = 0.0325 for 6137 Fo > 4sig(Fo) and 0.0544 for all 7990 data REM 240 parameters refined using 0 restraints END WGHT 0.0303 1.8634 REM Highest difference peak 0.434, deepest hole -0.373, 1-sigma level 0.071 Q1 1 0.3193 0.0402 0.3971 11.00000 0.05 0.43 Q2 1 0.4107 -0.0227 0.3766 11.00000 0.05 0.43 Q3 1 0.4771 -0.1630 0.3341 11.00000 0.05 0.43 Q4 1 0.4150 0.0938 0.3801 11.00000 0.05 0.43 Q5 1 0.6008 0.2483 0.4280 11.00000 0.05 0.43 Q6 1 0.4394 -0.1022 0.3580 11.00000 0.05 0.42 Q7 1 0.4024 -0.1150 0.3991 11.00000 0.05 0.41 Q8 1 0.2816 0.1138 0.4966 11.00000 0.05 0.41 Q9 1 0.2977 0.0762 0.4588 11.00000 0.05 0.40 Q10 1 0.5367 0.1108 0.4104 11.00000 0.05 0.40 Q11 1 0.3252 0.0514 0.3204 11.00000 0.05 0.40 Q12 1 0.2185 0.0177 0.2464 11.00000 0.05 0.39 Q13 1 0.6546 0.1927 0.4304 11.00000 0.05 0.38 Q14 1 0.2425 0.0253 0.4305 11.00000 0.05 0.38 Q15 1 0.3144 0.0952 0.2498 11.00000 0.05 0.37 Q16 1 0.1586 -0.0038 0.1997 11.00000 0.05 0.36 Q17 1 0.4763 0.1606 0.3849 11.00000 0.05 0.36 Q18 1 0.6187 0.1140 0.4411 11.00000 0.05 0.36 Q19 1 0.2999 0.0311 0.3379 11.00000 0.05 0.36 Q20 1 0.5057 -0.2199 0.3653 11.00000 0.05 0.34 REM The information below was added by Olex2. REM REM R1 = 0.0325 for 6137 Fo > 4sig(Fo) and 0.0544 for all 32847 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.43, deepest hole -0.37 REM Mean Shift 0, Max Shift 0.002. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0544 REM R1_gt = 0.0325 REM wR_ref = 0.0709 REM GOOF = 1.010 REM Shift_max = 0.002 REM Shift_mean = 0 REM Reflections_all = 32847 REM Reflections_gt = 6137 REM Parameters = n/a REM Hole = -0.37 REM Peak = 0.43 REM Flack = n/a ; _cod_data_source_file im2474Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelxl_version_number 2014/6 _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_max ? _shelx_estimated_absorpt_t_min ? _exptl_absorpt_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Aromatic/amide H refined with riding coordinates: C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24) 2.b Idealised Me refined as rotating group: C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A, H6B,H6C) ; _olex2_submission_special_instructions 'No special instructions were received' #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 0.36354(2) 0.03558(2) 0.37248(2) 0.01369(4) Uani 1 1 d . . . . . Si1 Si 0.26294(3) 0.07258(3) 0.27044(2) 0.01566(8) Uani 1 1 d . . . . . C1 C 0.19468(11) -0.02626(9) 0.22333(7) 0.0193(3) Uani 1 1 d . . . . . C2 C 0.14760(13) -0.08808(11) 0.26222(8) 0.0280(3) Uani 1 1 d . . . . . H2A H 0.2015 -0.1135 0.2947 0.042 Uiso 1 1 calc GR . . . . H2B H 0.1099 -0.1350 0.2369 0.042 Uiso 1 1 calc GR . . . . H2C H 0.1020 -0.0544 0.2794 0.042 Uiso 1 1 calc GR . . . . C3 C 0.10842(13) 0.00982(12) 0.16951(8) 0.0286(4) Uani 1 1 d . . . . . H3A H 0.0582 0.0399 0.1849 0.043 Uiso 1 1 calc GR . . . . H3B H 0.0763 -0.0388 0.1437 0.043 Uiso 1 1 calc GR . . . . H3C H 0.1368 0.0509 0.1462 0.043 Uiso 1 1 calc GR . . . . C4 C 0.26903(13) -0.08070(11) 0.19725(8) 0.0293(4) Uani 1 1 d . . . . . H4A H 0.2967 -0.0432 0.1715 0.044 Uiso 1 1 calc GR . . . . H4B H 0.2327 -0.1298 0.1737 0.044 Uiso 1 1 calc GR . . . . H4C H 0.3241 -0.1032 0.2303 0.044 Uiso 1 1 calc GR . . . . C5 C 0.16501(12) 0.15374(11) 0.28177(8) 0.0288(4) Uani 1 1 d . . . . . H5A H 0.1152 0.1229 0.2971 0.043 Uiso 1 1 calc GR . . . . H5B H 0.1311 0.1814 0.2433 0.043 Uiso 1 1 calc GR . . . . H5C H 0.1984 0.1986 0.3107 0.043 Uiso 1 1 calc GR . . . . C6 C 0.34687(14) 0.13018(13) 0.22957(8) 0.0340(4) Uani 1 1 d . . . . . H6A H 0.3806 0.1798 0.2536 0.051 Uiso 1 1 calc GR . . . . H6B H 0.3056 0.1512 0.1905 0.051 Uiso 1 1 calc GR . . . . H6C H 0.3976 0.0891 0.2235 0.051 Uiso 1 1 calc GR . . . . C7 C 0.48101(10) 0.11767(9) 0.39511(6) 0.0160(3) Uani 1 1 d . . . . . C8 C 0.46614(12) 0.20997(10) 0.38666(7) 0.0244(3) Uani 1 1 d . . . . . H8 H 0.3997 0.2322 0.3713 0.029 Uiso 1 1 calc R . . . . C9 C 0.54855(13) 0.26859(11) 0.40074(8) 0.0287(4) Uani 1 1 d . . . . . H9 H 0.5371 0.3295 0.3948 0.034 Uiso 1 1 calc R . . . . C10 C 0.64792(12) 0.23684(11) 0.42370(7) 0.0258(3) Uani 1 1 d . . . . . H10 H 0.7032 0.2763 0.4332 0.031 Uiso 1 1 calc R . . . . C11 C 0.66436(11) 0.14632(11) 0.43231(7) 0.0223(3) Uani 1 1 d . . . . . H11 H 0.7310 0.1247 0.4475 0.027 Uiso 1 1 calc R . . . . C12 C 0.58171(11) 0.08718(10) 0.41835(6) 0.0185(3) Uani 1 1 d . . . . . H12 H 0.5939 0.0264 0.4246 0.022 Uiso 1 1 calc R . . . . C13 C 0.28202(11) 0.05273(9) 0.43088(6) 0.0159(3) Uani 1 1 d . . . . . C14 C 0.19262(11) 0.00334(10) 0.42642(7) 0.0210(3) Uani 1 1 d . . . . . H14 H 0.1719 -0.0391 0.3956 0.025 Uiso 1 1 calc R . . . . C15 C 0.13399(12) 0.01638(11) 0.46710(7) 0.0254(3) Uani 1 1 d . . . . . H15 H 0.0750 -0.0174 0.4635 0.031 Uiso 1 1 calc R . . . . C16 C 0.16361(12) 0.07993(11) 0.51311(7) 0.0252(3) Uani 1 1 d . . . . . H16 H 0.1242 0.0891 0.5402 0.030 Uiso 1 1 calc R . . . . C17 C 0.25164(12) 0.12936(11) 0.51847(7) 0.0251(3) Uani 1 1 d . . . . . H17 H 0.2717 0.1719 0.5494 0.030 Uiso 1 1 calc R . . . . C18 C 0.31062(11) 0.11602(10) 0.47793(7) 0.0203(3) Uani 1 1 d . . . . . H18 H 0.3700 0.1497 0.4821 0.024 Uiso 1 1 calc R . . . . C19 C 0.41975(10) -0.08517(9) 0.38053(6) 0.0151(3) Uani 1 1 d . . . . . C20 C 0.47948(11) -0.11181(10) 0.34217(7) 0.0192(3) Uani 1 1 d . . . . . H20 H 0.4907 -0.0719 0.3134 0.023 Uiso 1 1 calc R . . . . C21 C 0.52196(12) -0.19630(10) 0.34629(7) 0.0238(3) Uani 1 1 d . . . . . H21 H 0.5611 -0.2128 0.3203 0.029 Uiso 1 1 calc R . . . . C22 C 0.50633(12) -0.25642(10) 0.38912(7) 0.0250(3) Uani 1 1 d . . . . . H22 H 0.5351 -0.3132 0.3921 0.030 Uiso 1 1 calc R . . . . C23 C 0.44760(12) -0.23154(10) 0.42747(7) 0.0247(3) Uani 1 1 d . . . . . H23 H 0.4366 -0.2718 0.4561 0.030 Uiso 1 1 calc R . . . . C24 C 0.40487(11) -0.14636(10) 0.42328(7) 0.0194(3) Uani 1 1 d . . . . . H24 H 0.3659 -0.1302 0.4494 0.023 Uiso 1 1 calc R . . . . 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 0.01210(7) 0.01250(7) 0.01693(7) -0.00168(6) 0.00481(5) -0.00005(6) Si1 0.01585(18) 0.01453(18) 0.01666(18) -0.00171(14) 0.00463(14) 0.00156(14) C1 0.0175(6) 0.0189(7) 0.0196(7) -0.0043(5) 0.0021(5) 0.0025(5) C2 0.0260(8) 0.0266(8) 0.0293(8) -0.0038(7) 0.0042(7) -0.0083(7) C3 0.0249(8) 0.0306(9) 0.0245(8) -0.0045(7) -0.0025(6) 0.0037(7) C4 0.0281(8) 0.0279(8) 0.0297(9) -0.0127(7) 0.0044(7) 0.0060(7) C5 0.0269(8) 0.0245(8) 0.0309(9) -0.0060(7) 0.0013(7) 0.0112(7) C6 0.0410(10) 0.0391(10) 0.0243(8) -0.0001(7) 0.0132(7) -0.0134(8) C7 0.0152(6) 0.0170(6) 0.0161(6) -0.0015(5) 0.0050(5) -0.0019(5) C8 0.0198(7) 0.0182(7) 0.0322(8) -0.0008(6) 0.0024(6) -0.0008(6) C9 0.0291(8) 0.0182(7) 0.0356(9) -0.0003(7) 0.0039(7) -0.0064(6) C10 0.0231(7) 0.0305(8) 0.0225(7) -0.0018(6) 0.0040(6) -0.0123(6) C11 0.0148(6) 0.0328(8) 0.0178(7) 0.0009(6) 0.0021(5) -0.0026(6) C12 0.0176(7) 0.0208(7) 0.0168(6) 0.0014(5) 0.0044(5) -0.0004(5) C13 0.0151(6) 0.0158(6) 0.0167(6) -0.0001(5) 0.0044(5) 0.0016(5) C14 0.0220(7) 0.0226(7) 0.0199(7) -0.0044(6) 0.0082(6) -0.0051(6) C15 0.0220(7) 0.0318(9) 0.0251(8) -0.0023(6) 0.0108(6) -0.0066(6) C16 0.0249(8) 0.0334(9) 0.0206(7) -0.0005(6) 0.0117(6) 0.0041(7) C17 0.0277(8) 0.0277(8) 0.0200(7) -0.0073(6) 0.0069(6) 0.0009(6) C18 0.0189(7) 0.0209(7) 0.0209(7) -0.0037(6) 0.0051(6) -0.0017(6) C19 0.0135(6) 0.0123(6) 0.0189(6) -0.0023(5) 0.0034(5) -0.0003(5) C20 0.0184(7) 0.0187(7) 0.0215(7) 0.0006(6) 0.0073(5) 0.0019(5) C21 0.0216(7) 0.0216(7) 0.0290(8) -0.0045(6) 0.0083(6) 0.0051(6) C22 0.0256(8) 0.0124(6) 0.0327(8) -0.0025(6) 0.0010(6) 0.0033(6) C23 0.0306(8) 0.0173(7) 0.0239(8) 0.0047(6) 0.0038(6) -0.0016(6) C24 0.0201(7) 0.0183(7) 0.0201(7) -0.0009(6) 0.0060(5) -0.0017(6) 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' Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 '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 C7 Ge1 Si1 107.93(4) . . ? C7 Ge1 C13 107.92(6) . . ? C13 Ge1 Si1 110.34(4) . . ? C19 Ge1 Si1 113.92(4) . . ? C19 Ge1 C7 106.89(6) . . ? C19 Ge1 C13 109.61(6) . . ? C1 Si1 Ge1 114.67(5) . . ? C5 Si1 Ge1 104.47(5) . . ? C5 Si1 C1 109.35(7) . . ? C6 Si1 Ge1 109.08(6) . . ? C6 Si1 C1 110.26(7) . . ? C6 Si1 C5 108.72(9) . . ? C2 C1 Si1 111.05(10) . . ? C2 C1 C4 108.84(13) . . ? C3 C1 Si1 108.38(10) . . ? C3 C1 C2 109.00(13) . . ? C3 C1 C4 108.31(13) . . ? C4 C1 Si1 111.20(10) . . ? C1 C2 H2A 109.5 . . ? C1 C2 H2B 109.5 . . ? C1 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C1 C3 H3A 109.5 . . ? C1 C3 H3B 109.5 . . ? C1 C3 H3C 109.5 . . ? H3A C3 H3B 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? C1 C4 H4A 109.5 . . ? C1 C4 H4B 109.5 . . ? C1 C4 H4C 109.5 . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? Si1 C5 H5A 109.5 . . ? Si1 C5 H5B 109.5 . . ? Si1 C5 H5C 109.5 . . ? H5A C5 H5B 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? Si1 C6 H6A 109.5 . . ? Si1 C6 H6B 109.5 . . ? Si1 C6 H6C 109.5 . . ? H6A C6 H6B 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C8 C7 Ge1 120.48(11) . . ? C12 C7 Ge1 121.93(11) . . ? C12 C7 C8 117.57(13) . . ? C7 C8 H8 119.4 . . ? C9 C8 C7 121.19(15) . . ? C9 C8 H8 119.4 . . ? C8 C9 H9 119.9 . . ? C10 C9 C8 120.28(15) . . ? C10 C9 H9 119.9 . . ? C9 C10 H10 120.2 . . ? C11 C10 C9 119.52(14) . . ? C11 C10 H10 120.2 . . ? C10 C11 H11 119.8 . . ? C10 C11 C12 120.39(14) . . ? C12 C11 H11 119.8 . . ? C7 C12 H12 119.5 . . ? C11 C12 C7 121.06(14) . . ? C11 C12 H12 119.5 . . ? C14 C13 Ge1 121.31(10) . . ? C14 C13 C18 117.60(13) . . ? C18 C13 Ge1 121.09(11) . . ? C13 C14 H14 119.3 . . ? C15 C14 C13 121.38(14) . . ? C15 C14 H14 119.3 . . ? C14 C15 H15 120.0 . . ? C16 C15 C14 119.93(15) . . ? C16 C15 H15 120.0 . . ? C15 C16 H16 120.1 . . ? C17 C16 C15 119.72(14) . . ? C17 C16 H16 120.1 . . ? C16 C17 H17 119.8 . . ? C16 C17 C18 120.36(14) . . ? C18 C17 H17 119.8 . . ? C13 C18 H18 119.5 . . ? C17 C18 C13 121.01(14) . . ? C17 C18 H18 119.5 . . ? C20 C19 Ge1 118.88(10) . . ? C24 C19 Ge1 123.24(10) . . ? C24 C19 C20 117.87(13) . . ? C19 C20 H20 119.3 . . ? C21 C20 C19 121.30(14) . . ? C21 C20 H20 119.3 . . ? C20 C21 H21 120.0 . . ? C20 C21 C22 120.06(14) . . ? C22 C21 H21 120.0 . . ? C21 C22 H22 120.2 . . ? C23 C22 C21 119.62(14) . . ? C23 C22 H22 120.2 . . ? C22 C23 H23 119.9 . . ? C22 C23 C24 120.25(14) . . ? C24 C23 H23 119.9 . . ? C19 C24 C23 120.90(14) . . ? C19 C24 H24 119.6 . . ? C23 C24 H24 119.6 . . ? 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 Si1 2.4026(4) . ? Ge1 C7 1.9618(14) . ? Ge1 C13 1.9648(14) . ? Ge1 C19 1.9512(13) . ? Si1 C1 1.9078(15) . ? Si1 C5 1.8687(15) . ? Si1 C6 1.8670(17) . ? C1 C2 1.536(2) . ? C1 C3 1.534(2) . ? C1 C4 1.537(2) . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? C7 C8 1.403(2) . ? C7 C12 1.3939(19) . ? C8 H8 0.9300 . ? C8 C9 1.385(2) . ? C9 H9 0.9300 . ? C9 C10 1.384(2) . ? C10 H10 0.9300 . ? C10 C11 1.379(2) . ? C11 H11 0.9300 . ? C11 C12 1.393(2) . ? C12 H12 0.9300 . ? C13 C14 1.398(2) . ? C13 C18 1.400(2) . ? C14 H14 0.9300 . ? C14 C15 1.389(2) . ? C15 H15 0.9300 . ? C15 C16 1.388(2) . ? C16 H16 0.9300 . ? C16 C17 1.379(2) . ? C17 H17 0.9300 . ? C17 C18 1.391(2) . ? C18 H18 0.9300 . ? C19 C20 1.4019(19) . ? C19 C24 1.390(2) . ? C20 H20 0.9300 . ? C20 C21 1.383(2) . ? C21 H21 0.9300 . ? C21 C22 1.385(2) . ? C22 H22 0.9300 . ? C22 C23 1.384(2) . ? C23 H23 0.9300 . ? C23 C24 1.393(2) . ? C24 H24 0.9300 . ? 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 Ge1 C7 C8 C9 -178.11(13) . . . . ? Ge1 C7 C12 C11 177.92(11) . . . . ? Ge1 C13 C14 C15 -178.96(12) . . . . ? Ge1 C13 C18 C17 178.66(12) . . . . ? Ge1 C19 C20 C21 179.40(11) . . . . ? Ge1 C19 C24 C23 -179.38(11) . . . . ? C7 C8 C9 C10 -0.1(3) . . . . ? C8 C7 C12 C11 -0.3(2) . . . . ? C8 C9 C10 C11 0.2(2) . . . . ? C9 C10 C11 C12 -0.3(2) . . . . ? C10 C11 C12 C7 0.4(2) . . . . ? C12 C7 C8 C9 0.2(2) . . . . ? C13 C14 C15 C16 0.4(2) . . . . ? C14 C13 C18 C17 -0.3(2) . . . . ? C14 C15 C16 C17 -0.5(3) . . . . ? C15 C16 C17 C18 0.2(2) . . . . ? C16 C17 C18 C13 0.2(2) . . . . ? C18 C13 C14 C15 0.0(2) . . . . ? C19 C20 C21 C22 -0.3(2) . . . . ? C20 C19 C24 C23 -0.4(2) . . . . ? C20 C21 C22 C23 0.3(2) . . . . ? C21 C22 C23 C24 -0.3(2) . . . . ? C22 C23 C24 C19 0.4(2) . . . . ? C24 C19 C20 C21 0.3(2) . . . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 2 0 -2 422.05 6.7 -2 0 2 435.5 7.04 2 0 -2 431.43 6.54 -2 0 2 447.95 6.83 4 0 -4 77.69 1.45 -4 0 4 78.7 1.44 -4 0 4 75.82 1.62 6 0 -6 301.38 4.79 -6 0 6 307.25 5.36 -6 0 6 307.33 4.84 -8 0 8 284.68 5.39 8 0 -8 292.94 4.83 -8 0 8 295.35 4.84 -10 0 10 41.19 1.31 -10 0 10 39.58 1.55 10 0 -10 40.28 1.37 12 0 -12 97.82 2.53 -12 0 12 99.59 2.84 -12 0 12 99.58 2.39 -14 0 14 32.52 1.75 14 0 -14 34.26 1.64 -16 0 16 4.67 1.04 16 0 -16 5.97 1.03 18 0 -18 12.63 1.47 -18 0 18 11.89 1.55 1 1 -1 1.68 0.12 1 1 -1 1.45 0.1 1 1 -1 1.74 0.11 -1 -1 1 1.5 0.13 1 -1 -1 1.62 0.13 -3 1 3 6.02 0.36 -3 1 3 6 0.24 3 1 -3 6.41 0.32 -3 -1 3 6.57 0.34 3 -1 -3 6.33 0.24 -3 -1 3 6.52 0.33 3 -1 -3 6.35 0.31 -5 1 5 9.77 0.4 -5 1 5 8.72 0.53 5 1 -5 9.44 0.49 5 -1 -5 9.25 0.46 -5 -1 5 8.6 0.49 -5 -1 5 8.12 0.47 -7 1 7 17.85 0.65 7 1 -7 17.62 0.76 -7 1 7 17.11 0.85 -7 -1 7 18.53 0.75 7 -1 -7 18.26 0.77 -7 -1 7 17.52 0.83 -9 1 9 9.75 0.61 9 1 -9 11.05 0.79 -9 1 9 10.66 0.84 9 -1 -9 10.96 0.77 -9 -1 9 9.84 0.69 -9 -1 9 10.83 0.77 -11 1 11 3.68 0.71 11 1 -11 3.13 0.63 -11 1 11 3.07 0.44 11 -1 -11 2.64 0.6 -11 -1 11 2.12 0.48 -11 -1 11 2.86 0.61 13 1 -13 2.05 0.69 -13 1 13 3.4 0.7 -13 1 13 2.12 0.68 -13 -1 13 2.69 0.57 -13 -1 13 2.71 0.7 13 -1 -13 2.22 0.65 -15 1 15 1 0.72 15 1 -15 0.99 0.76 15 -1 -15 0.02 0.69 -15 -1 15 0.33 0.65 -17 1 17 1.53 0.89 17 1 -17 2.1 0.93 17 -1 -17 1.71 0.96 -17 -1 17 2.82 0.93 19 1 -19 1.61 1.02 19 -1 -19 1.21 1.01 0 2 0 481.07 7.37 0 2 0 475.74 8.14 0 -2 0 483.96 7.43 0 -2 0 482.67 6.81 0 -2 0 493.15 8.04 -2 2 2 356.54 5.72 2 2 -2 355.85 5.54 2 2 -2 341.55 5.14 2 2 -2 360.16 5.56 2 -2 -2 366.53 5.21 -2 -2 2 358.94 5.36 4 2 -4 205.66 3.25 -4 2 4 205.49 3.08 -4 2 4 199.17 3.67 4 -2 -4 201.59 3.07 -4 -2 4 213.91 3.44 -4 -2 4 207.48 3.53 4 -2 -4 209.14 3.31 -6 2 6 213.92 4.08 6 2 -6 211.56 3.57 -6 2 6 218.78 3.39 -6 -2 6 220.05 3.75 6 -2 -6 211.51 3.61 -6 -2 6 216.32 3.91 -8 2 8 60.64 1.32 -8 2 8 59.66 1.82 8 2 -8 59.34 1.55 -8 -2 8 60.61 1.62 8 -2 -8 60.74 1.55 -8 -2 8 58.79 1.67 10 2 -10 28.2 1.18 -10 2 10 27.26 1.38 -10 2 10 26.57 0.91 10 -2 -10 28.95 1.2 -10 -2 10 28.49 1.23 -10 -2 10 24.33 1.2 -12 2 12 51.57 1.44 12 2 -12 50.09 1.73 -12 2 12 46.06 1.99 12 -2 -12 47.58 1.74 -12 -2 12 48.34 1.83 -12 -2 12 48.82 1.71 14 2 -14 20.11 1.36 -14 2 14 20.49 1.53 -14 -2 14 24.1 1.51 14 -2 -14 24.94 1.46 -14 -2 14 20.25 1.26 -16 2 16 6.94 1.23 16 2 -16 5.87 1.07 16 -2 -16 7.68 1.19 -16 -2 16 7.36 1.1 -18 2 18 5.48 1.24 18 2 -18 6.04 1.19 18 -2 -18 5.4 1.23 -1 3 1 50.78 1.1 1 3 -1 50.52 1.04 1 3 -1 49.03 0.97 -1 3 1 50.88 1.01 -1 3 1 50.4 0.86 -1 -3 1 52.3 0.99 1 -3 -1 50.06 0.86 -1 -3 1 50.23 1.01 3 3 -3 2.12 0.2 3 3 -3 1.88 0.24 -3 3 3 1.93 0.29 -3 -3 3 2.77 0.34 3 -3 -3 1.79 0.23 -5 3 5 7.56 0.26 5 3 -5 8.19 0.48 -5 3 5 8.48 0.58 5 -3 -5 7.97 0.26 -5 -3 5 8.21 0.46 5 -3 -5 8.13 0.48 -5 -3 5 8.51 0.55 -7 3 7 38.98 1.38 7 3 -7 37.69 1.14 -7 3 7 38.12 0.84 -7 -3 7 36.98 1.18 -7 -3 7 38.73 1.25 7 -3 -7 39.67 1.18 9 3 -9 31.83 1.2 -9 3 9 32.03 0.86 -9 3 9 31.69 1.41 -9 -3 9 31.14 1.25 -9 -3 9 31.89 1.24 9 -3 -9 32.08 1.22 -11 3 11 -0.53 0.18 -11 3 11 0.25 0.47 11 3 -11 0.16 0.49 -11 -3 11 0.93 0.45 11 -3 -11 -0.25 0.42 -11 -3 11 -0.03 0.38 13 3 -13 1.34 0.67 -13 3 13 1.44 0.72 -13 -3 13 1.78 0.6 13 -3 -13 2.04 0.66 -13 -3 13 1.3 0.58 15 3 -15 28.95 1.62 -15 3 15 26.9 1.84 -15 -3 15 29.67 1.68 -15 -3 15 30.32 1.58 15 -3 -15 27.43 1.66 -17 3 17 9.01 1.41 17 3 -17 5.98 1.07 17 -3 -17 7.44 1.26 19 3 -19 2 1.05 -19 3 19 0.58 0.99 19 -3 -19 2.71 1.17 0 4 0 7.24 0.43 0 4 0 7.56 0.35 0 -4 0 8.11 0.34 2 4 -2 73.27 1.41 -2 4 2 72.38 1.15 2 4 -2 72.78 1.4 -2 4 2 69.64 1.56 2 -4 -2 68.92 1.43 2 -4 -2 72.38 1.16 -2 -4 2 73.71 1.48 4 4 -4 163.29 2.8 4 4 -4 162.05 2.82 -4 4 4 166.87 3.2 -4 -4 4 168.45 2.99 4 -4 -4 159.35 2.85 6 4 -6 52.93 1.31 6 4 -6 53.48 1.34 -6 4 6 54.51 1.62 -6 4 6 52.42 0.89 6 -4 -6 50.83 1.35 6 -4 -6 52.23 0.88 -6 -4 6 52.74 1.47 -8 4 8 10.68 0.87 8 4 -8 10.94 0.73 -8 4 8 10.36 0.39 -8 -4 8 10.86 0.81 -8 -4 8 11.29 0.69 8 -4 -8 11.33 0.71 -10 4 10 9.87 0.48 -10 4 10 11.04 1.01 10 4 -10 9.18 0.82 -10 -4 10 10.33 0.96 10 -4 -10 10.2 0.86 -10 -4 10 8.92 0.79 12 4 -12 7.49 0.89 -12 4 12 6.89 1 12 -4 -12 7.17 0.89 -12 -4 12 7.93 0.88 -12 -4 12 7.93 0.93 -14 4 14 5.84 1.06 14 4 -14 7.14 0.95 -14 -4 14 5 0.87 -14 -4 14 5.87 0.92 14 -4 -14 5.21 0.87 16 4 -16 2.53 0.87 -16 -4 16 2.02 0.72 16 -4 -16 1.3 0.9 -18 4 18 2.68 1.16 18 4 -18 2.62 0.98 18 -4 -18 2.04 1.11 -1 5 1 1.49 0.24 1 5 -1 1.26 0.24 -1 5 1 1.47 0.28 1 5 -1 2.57 0.36 -1 -5 1 1.6 0.26 1 -5 -1 1.51 0.21 -3 5 3 57.75 1.5 3 5 -3 61.15 1.33 3 5 -3 58.6 1.26 -3 -5 3 60.1 1.42 3 -5 -3 59.27 0.96 3 -5 -3 59.63 1.37 3 -5 -3 59.44 0.97 -5 5 5 18.21 0.87 5 5 -5 17.71 0.73 5 5 -5 17.75 0.61 5 -5 -5 18.12 0.77 -7 5 7 21.01 1.1 7 5 -7 20.09 0.79 7 5 -7 21.82 0.91 7 -5 -7 21.25 0.91 -7 -5 7 21.74 1.03 9 5 -9 34.19 1.27 -9 5 9 32.83 1.52 9 5 -9 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42.17 1.59 12 6 -14 12.1 1.03 12 6 -14 12.82 1.04 -12 6 14 13.37 1.45 -12 -6 14 12.12 1.19 12 -6 -14 9.84 1.05 -14 6 16 7.09 1.28 14 6 -16 6.7 0.97 -14 -6 16 6.07 0.98 14 -6 -16 7.37 1.11 -16 6 18 3.76 1.16 16 6 -18 5.54 1.06 -16 -6 18 5.25 1.09 16 -6 -18 4.12 1.09 -18 6 20 -0.58 0.89 18 -6 -20 1.73 1.09 -17 7 15 2.29 1.09 17 7 -15 3.04 0.99 -17 -7 15 4.84 1.12 17 -7 -15 4.22 1.21 15 7 -13 26.85 1.68 -15 7 13 26.38 2.02 15 -7 -13 22.46 1.56 -15 -7 13 21.65 1.63 -13 7 11 6.07 1.13 13 7 -11 4.37 0.84 -13 -7 11 4.47 0.94 13 -7 -11 4.17 0.8 11 7 -9 8.18 0.89 -11 7 9 9.39 1.16 -11 -7 9 9.91 1.12 11 -7 -9 6.44 0.81 9 7 -7 83.53 2.22 9 7 -7 82.51 1.82 -9 7 7 88.56 2.66 9 -7 -7 86.34 2.28 -9 -7 7 80.7 2.36 7 7 -5 151.93 2.75 7 7 -5 153.48 3.12 -7 7 5 146.85 3.53 7 -7 -5 162.21 3.19 -7 -7 5 156.04 3.32 5 7 -3 84.92 1.97 -5 7 3 84.17 2.22 5 7 -3 85.14 1.71 -5 -7 3 83.91 2.05 5 -7 -3 81.95 1.96 -3 7 1 146.79 3.15 3 7 -1 145.14 2.7 3 7 -1 151.16 2.82 3 -7 -1 150.91 2.4 3 -7 -1 147.61 2.8 -3 -7 1 148.92 2.86 -1 7 -1 151.77 2.74 1 7 1 151.96 2.78 -1 7 -1 136.44 3.08 1 7 1 154.29 2.81 -1 -7 -1 150.14 2.7 1 -7 1 151.57 2.59 -1 7 3 187.1 3.36 -1 7 3 193.86 3.55 1 7 -3 193.69 3.28 1 7 -3 181.85 3.69 -1 -7 3 189.62 3.33 1 -7 -3 189.71 3.12 3 7 -5 185.9 3.47 3 7 -5 184.23 3.2 -3 7 5 178.58 3.63 3 -7 -5 182.31 3.36 3 -7 -5 180.42 2.87 -3 -7 5 177.52 3.38 5 7 -7 53.03 1.41 -5 7 7 55.44 1.76 5 7 -7 53.33 1.41 -5 -7 7 54.46 1.62 5 -7 -7 54.11 1.54 -7 7 9 81.14 2.45 7 7 -9 81.53 1.97 7 7 -9 85.14 1.95 -7 -7 9 81.49 2.23 7 -7 -9 82.6 2.11 9 7 -11 75.6 1.93 -9 7 11 73.55 2.52 9 7 -11 75.64 2.01 9 -7 -11 71.04 2.08 -9 -7 11 70.1 2.23 11 7 -13 22.87 1.23 -11 7 13 22.24 1.58 11 7 -13 20.9 1.1 11 -7 -13 23.02 1.33 -11 -7 13 21.52 1.37 -13 7 15 10.22 1.37 13 7 -15 11.2 1.11 13 -7 -15 10.35 1.1 -13 -7 15 12.12 1.34 15 7 -17 8.09 1.1 -15 7 17 9.55 1.52 15 -7 -17 6.62 1.11 -15 -7 17 5.29 1.06 -17 7 19 3.93 1.27 -17 -7 19 3.95 1.06 17 -7 -19 2.76 1.15 18 8 -16 4.92 1.14 -18 8 16 4.19 1.3 18 -8 -16 3.63 1.23 -18 -8 16 4.28 1.07 16 8 -14 8.38 1.2 -16 8 14 8.32 1.47 16 -8 -14 8.05 1.3 -16 -8 14 10.61 1.37 -14 8 12 1.06 0.84 14 8 -12 1.8 0.78 -14 -8 12 2.14 0.84 14 -8 -12 3.26 0.92 12 8 -10 10.54 1.1 -12 8 10 12.28 1.42 -12 -8 10 11.26 1.22 12 -8 -10 8.94 0.99 -10 8 8 17.65 1.37 10 8 -8 19.09 1.11 10 -8 -8 20.04 1.17 -10 -8 8 17.4 1.27 -8 8 6 6.65 0.85 8 8 -6 6.73 0.73 8 8 -6 6.14 0.52 8 -8 -6 7.11 0.77 -8 -8 6 7.45 0.88 6 8 -4 0.33 0.31 -6 8 4 0.16 0.37 6 8 -4 0.84 0.38 -6 -8 4 0.97 0.47 6 -8 -4 0.91 0.37 -4 8 2 68.57 1.99 4 8 -2 72.12 1.8 4 8 -2 71.33 1.59 -4 -8 2 70.16 1.83 4 -8 -2 72.76 1.26 4 -8 -2 71.43 1.8 2 8 0 18.28 0.7 -2 8 0 16.26 0.9 2 8 0 18.24 0.83 -2 8 0 17.9 0.81 -2 -8 0 18.18 0.81 2 -8 0 17.75 0.63 0 8 2 58.31 1.53 0 8 -2 53.03 1.68 0 8 -2 58.37 1.45 0 8 2 56.73 1.46 0 -8 2 58.47 1.39 0 -8 -2 59.68 1.37 2 8 -4 10.85 0.78 -2 8 4 9.53 0.65 2 8 -4 9.89 0.6 -2 8 4 9.25 0.66 -2 -8 4 10.74 0.67 2 -8 -4 9.85 0.47 4 8 -6 18.9 0.84 -4 8 6 19.5 1.02 4 8 -6 18.32 0.94 -4 -8 6 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