#------------------------------------------------------------------------------ #$Date: 2019-11-24 08:06:04 +0200 (Sun, 24 Nov 2019) $ #$Revision: 237235 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/08/80/4088059.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_4088059 loop_ _publ_author_name '\'Alvarez-Rodr\'iguez, Luc\'ia' 'Cabeza, Javier A.' 'Garc\'ia-\'Alvarez, Pablo' 'Polo, Diego' _publ_section_title ; Amidinatogermylene Complexes of Copper, Silver, and Gold ; _journal_issue 22 _journal_name_full Organometallics _journal_page_first 5479 _journal_paper_doi 10.1021/acs.organomet.5b00828 _journal_volume 34 _journal_year 2015 _chemical_formula_moiety 'C19 H32 Au Cl Ge N2' _chemical_formula_sum 'C19 H32 Au Cl Ge N2' _chemical_formula_weight 593.47 _space_group_crystal_system orthorhombic _space_group_IT_number 61 _space_group_name_Hall '-P 2ac 2ab' _space_group_name_H-M_alt 'P b c a' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 13.09310(10) _cell_length_b 17.5197(2) _cell_length_c 19.1187(2) _cell_measurement_reflns_used 7911 _cell_measurement_temperature 123(2) _cell_measurement_theta_max 69.5900 _cell_measurement_theta_min 4.6210 _cell_volume 4385.58(8) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_molecular_graphics 'X-SEED (Barbour, 1999)' _computing_publication_material 'SHELXL-2014 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014 (Sheldrick, 2014)' _computing_structure_solution 'SIR-97 (Giacovazzo, 1999)' _diffrn_ambient_temperature 123(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.981 _diffrn_measurement_device_type 'Xcalibur, Onyx, Nova' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.5418 _diffrn_reflns_av_R_equivalents 0.0339 _diffrn_reflns_av_unetI/netI 0.0273 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.981 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 12846 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.981 _diffrn_reflns_theta_full 67.680 _diffrn_reflns_theta_max 69.777 _diffrn_reflns_theta_min 4.626 _diffrn_source 'sealed X-ray tube' _exptl_absorpt_coefficient_mu 15.214 _exptl_absorpt_correction_T_max 0.403 _exptl_absorpt_correction_T_min 0.102 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.798 _exptl_crystal_description fragment _exptl_crystal_F_000 2304 _exptl_crystal_size_max 0.1980 _exptl_crystal_size_mid 0.1012 _exptl_crystal_size_min 0.0754 _refine_diff_density_max 0.603 _refine_diff_density_min -1.336 _refine_diff_density_rms 0.127 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.059 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 226 _refine_ls_number_reflns 4061 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.059 _refine_ls_R_factor_all 0.0301 _refine_ls_R_factor_gt 0.0275 _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^)+(0.0435P)^2^+2.5843P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0713 _refine_ls_wR_factor_ref 0.0741 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3746 _reflns_number_total 4061 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file om5b00828_si_002.cif _cod_data_source_block xn14_103_lu253 _cod_database_code 4088059 _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. ; _shelxl_version_number 2014-3 _shelx_res_file ; TITL XN14_103_LU253 in Pbca CELL 1.54180 13.0931 17.5197 19.1187 90.000 90.000 90.000 ZERR 8.00 0.0001 0.0002 0.0002 0.000 0.000 0.000 LATT 1 SYMM 1/2 - X, - Y, 1/2 + Z SYMM 1/2 + X, 1/2 - Y, - Z SYMM - X, 1/2 + Y, 1/2 - Z SFAC C H AU CL GE N UNIT 152 256 8 8 8 16 MERG 2 OMIT -3.00 180.00 FMAP 2 PLAN 25 ACTA L.S. 32 TEMP -150.00 WGHT 0.043500 2.584300 FVAR 1.66690 C15 1 0.591904 0.090981 0.242525 11.00000 0.17535 0.02912 = 0.04066 0.00331 -0.01150 0.02132 AFIX 137 H15A 2 0.522740 0.075914 0.228620 11.00000 -1.50000 H15B 2 0.616505 0.056674 0.279339 11.00000 -1.50000 H15C 2 0.637509 0.087837 0.201982 11.00000 -1.50000 AFIX 0 C13 1 0.514021 0.176838 0.329181 11.00000 0.08086 0.05844 = 0.04974 0.02494 0.01856 0.01058 AFIX 137 H13A 2 0.519624 0.226695 0.352102 11.00000 -1.50000 H13B 2 0.528310 0.136392 0.363211 11.00000 -1.50000 H13C 2 0.444761 0.170404 0.310662 11.00000 -1.50000 AFIX 0 C12 1 0.590291 0.172236 0.269807 11.00000 0.05649 0.02936 = 0.02694 0.00453 -0.00231 0.00434 C14 1 0.695147 0.194179 0.296104 11.00000 0.06589 0.08848 = 0.07380 0.03598 -0.03288 -0.00754 AFIX 137 H14A 2 0.745065 0.188227 0.258301 11.00000 -1.50000 H14B 2 0.714038 0.161078 0.335347 11.00000 -1.50000 H14C 2 0.694312 0.247457 0.311712 11.00000 -1.50000 AFIX 0 C5 1 0.541749 0.295878 0.206029 11.00000 0.02604 0.02935 = 0.02703 -0.00321 -0.00080 0.00083 C6 1 0.534037 0.348896 0.266735 11.00000 0.04116 0.02614 = 0.02363 -0.00101 -0.00321 0.00387 C7 1 0.441160 0.355232 0.303311 11.00000 0.04246 0.03648 = 0.03392 -0.00045 0.00396 -0.00457 AFIX 43 H7 2 0.383324 0.326497 0.288927 11.00000 -1.20000 AFIX 0 C8 1 0.434572 0.403860 0.360689 11.00000 0.05618 0.03395 = 0.03216 -0.00194 0.01117 0.00159 AFIX 43 H8 2 0.372056 0.408201 0.385594 11.00000 -1.20000 AFIX 0 C9 1 0.517617 0.445415 0.381394 11.00000 0.06593 0.03162 = 0.02822 -0.00619 -0.00418 0.00718 AFIX 43 H9 2 0.512622 0.477953 0.420996 11.00000 -1.20000 AFIX 0 C10 1 0.608618 0.440515 0.345284 11.00000 0.05019 0.03789 = 0.04220 -0.00923 -0.01284 0.00164 AFIX 43 H10 2 0.665589 0.470390 0.359332 11.00000 -1.20000 AFIX 0 C11 1 0.616536 0.391774 0.288384 11.00000 0.03666 0.03436 = 0.03961 -0.00936 -0.00839 0.00345 AFIX 43 H11 2 0.679556 0.387871 0.264019 11.00000 -1.20000 AFIX 0 C4 1 0.488364 0.386023 0.108045 11.00000 0.03362 0.02824 = 0.02861 0.00546 -0.00021 0.00335 C2 1 0.486521 0.373058 0.029118 11.00000 0.04821 0.04352 = 0.02976 0.00240 -0.00096 0.00639 AFIX 137 H2A 2 0.556549 0.366927 0.011916 11.00000 -1.50000 H2B 2 0.454701 0.417031 0.006121 11.00000 -1.50000 H2C 2 0.447127 0.326891 0.018637 11.00000 -1.50000 AFIX 0 C1 1 0.379451 0.401581 0.133500 11.00000 0.03960 0.05010 = 0.04048 0.00184 -0.00386 0.01509 AFIX 137 H1A 2 0.337888 0.355525 0.127494 11.00000 -1.50000 H1B 2 0.349770 0.443423 0.106222 11.00000 -1.50000 H1C 2 0.380990 0.415752 0.183075 11.00000 -1.50000 AFIX 0 C3 1 0.557345 0.454101 0.124085 11.00000 0.06059 0.02830 = 0.04253 0.00306 -0.00589 -0.00261 AFIX 137 H3A 2 0.558294 0.463251 0.174649 11.00000 -1.50000 H3B 2 0.531193 0.499506 0.100095 11.00000 -1.50000 H3C 2 0.626811 0.443232 0.107804 11.00000 -1.50000 AFIX 0 C16 1 0.677447 0.197125 0.062064 11.00000 0.03176 0.03279 = 0.03440 -0.00109 0.00355 0.00019 C17 1 0.712329 0.113841 0.068072 11.00000 0.06509 0.03969 = 0.10560 0.01705 0.03904 0.01769 AFIX 137 H17A 2 0.774872 0.106529 0.040722 11.00000 -1.50000 H17B 2 0.658656 0.080149 0.050095 11.00000 -1.50000 H17C 2 0.725753 0.101612 0.117238 11.00000 -1.50000 AFIX 0 C18 1 0.661660 0.216049 -0.015240 11.00000 0.04728 0.05646 = 0.03413 -0.00911 0.00986 -0.00336 AFIX 137 H18A 2 0.642391 0.269849 -0.020008 11.00000 -1.50000 H18B 2 0.607268 0.183766 -0.034340 11.00000 -1.50000 H18C 2 0.725201 0.206662 -0.040928 11.00000 -1.50000 AFIX 0 C19 1 0.756289 0.251063 0.093050 11.00000 0.03625 0.07097 = 0.04116 -0.00669 0.00167 -0.01080 AFIX 137 H19A 2 0.821530 0.244470 0.068663 11.00000 -1.50000 H19B 2 0.765288 0.239635 0.142848 11.00000 -1.50000 H19C 2 0.732891 0.303865 0.087621 11.00000 -1.50000 AFIX 0 AU1 3 0.400067 0.142783 0.069627 11.00000 0.03063 0.02709 = 0.02801 -0.00162 -0.00286 -0.00242 CL1 4 0.261630 0.072020 0.030410 11.00000 0.03757 0.03353 = 0.04379 0.00169 -0.01271 -0.00843 GE1 5 0.543442 0.208811 0.108539 11.00000 0.02965 0.02585 = 0.02433 -0.00274 -0.00107 -0.00188 N2 6 0.562286 0.221142 0.209701 11.00000 0.04136 0.02549 = 0.02347 -0.00297 -0.00355 0.00215 N1 6 0.528610 0.315166 0.138934 11.00000 0.03173 0.02599 = 0.02513 -0.00250 -0.00271 0.00144 HKLF 4 REM XN14_103_LU253 in Pbca REM R1 = 0.0275 for 3746 Fo > 4sig(Fo) and 0.0301 for all 4061 data REM 226 parameters refined using 0 restraints END WGHT 0.0435 2.5843 REM Highest difference peak 0.603, deepest hole -1.336, 1-sigma level 0.127 Q1 1 0.5998 0.5376 0.4396 11.00000 0.05 0.60 Q2 1 0.4327 0.0852 0.0305 11.00000 0.05 0.59 Q3 1 0.3035 0.1415 0.1013 11.00000 0.05 0.58 Q4 1 0.2769 0.1063 0.0734 11.00000 0.05 0.54 Q5 1 0.4366 0.1991 0.1115 11.00000 0.05 0.53 Q6 1 0.4734 0.1477 0.2915 11.00000 0.05 0.52 Q7 1 0.5040 0.1385 0.0350 11.00000 0.05 0.50 Q8 1 0.7999 0.1041 0.3456 11.00000 0.05 0.49 Q9 1 0.3931 0.2515 0.0675 11.00000 0.05 0.49 Q10 1 0.3043 0.1475 0.0331 11.00000 0.05 0.48 Q11 1 0.2642 0.1667 0.0675 11.00000 0.05 0.48 Q12 1 0.5065 0.1069 -0.0124 11.00000 0.05 0.47 Q13 1 0.4010 0.0622 0.1066 11.00000 0.05 0.46 Q14 1 0.3651 0.0825 0.0323 11.00000 0.05 0.46 Q15 1 0.4949 0.1412 0.1007 11.00000 0.05 0.45 Q16 1 0.3027 0.1073 -0.0158 11.00000 0.05 0.44 Q17 1 0.5182 0.1715 -0.0085 11.00000 0.05 0.43 Q18 1 0.6854 0.4688 0.4336 11.00000 0.05 0.43 Q19 1 0.5550 0.1143 0.0916 11.00000 0.05 0.43 Q20 1 0.4145 0.1483 0.2606 11.00000 0.05 0.41 Q21 1 0.7777 0.3284 0.0100 11.00000 0.05 0.40 Q22 1 0.4144 0.2100 0.0293 11.00000 0.05 0.39 Q23 1 0.4941 0.1784 0.1575 11.00000 0.05 0.38 Q24 1 0.3177 0.0982 -0.0265 11.00000 0.05 0.38 Q25 1 0.3684 0.2063 0.1019 11.00000 0.05 0.38 ; _shelx_res_checksum 64472 _shelx_hkl_file ; 0 0 -2 286042. 2086.80 3 0 0 -3 90.4783 62.6898 3 0 0 -4 180369. 2350.62 3 0 0 -5 119.526 106.689 3 0 0 -6 710640. 5803.12 3 0 0 -7 59.6465 102.456 3 0 0 8 99707.7 4065.74 1 0 0 9-204.959 252.475 1 0 0 10 766.132 389.490 1 0 0 11-415.273 275.924 1 0 0 -12 1903.77 276.443 9 0 0 -13-34.0041 93.9754 9 0 0 -14 96198.1 2056.96 9 0 0 -15 79.2708 113.661 9 0 0 15 718.051 829.820 2 0 0 16 63451.6 6569.78 2 0 0 -16 58089.6 1685.67 9 0 0 -17 218.542 131.627 9 0 0 17 1808.75 1219.30 2 0 0 -18 2939.05 388.665 9 0 0 -19 163.075 135.843 9 0 0 -20 44865.9 1348.30 9 0 0 -22 124584. 2152.06 4 0 1 -1 113.532 47.0459 3 0 1 -2 146.240 57.0021 3 0 1 -3 268.877 95.6402 3 0 1 -4 111.994 88.9677 3 0 1 -5-69.6686 84.3497 3 0 1 -6 94.7345 114.216 3 0 1 -7-10.4736 85.4305 3 0 1 8 203.880 205.163 1 0 -1 8 165.600 364.822 1 0 1 -8 157.071 134.202 3 0 -1 9 250.202 331.152 1 0 1 -9 30.6025 139.410 3 0 1 9-132.399 187.796 1 0 1 10 371.590 234.950 1 0 -1 10-11.5162 210.675 1 0 -1 11 424.710 382.781 1 0 1 -11 218.203 101.588 9 0 -1 12 17.1576 241.058 1 0 -1 -12 178.879 104.472 9 0 1 -12 62.6908 66.9723 9 0 -1 -13 84.5593 85.2083 9 0 1 -13 158.845 110.087 9 0 -1 -14 106.044 76.3613 9 0 1 -14 190.017 109.161 9 0 -1 -15 49.3505 97.4598 9 0 -1 15 385.377 480.035 2 0 1 -15 118.258 144.339 9 0 -1 -16 276.090 136.941 9 0 1 16 830.328 918.838 2 0 -1 -17-1.70099 72.9816 9 0 1 17 603.510 771.217 2 0 1 -17 124.008 108.723 9 0 -1 -18-3.29589 81.3073 9 0 1 -18-73.2569 115.231 9 0 1 -19 179.934 136.020 9 0 -1 -19 40.6195 89.6207 9 0 1 -20 117.253 114.357 9 0 -1 -20 156.078 95.3904 9 0 1 -21-20.2799 92.1742 9 0 -1 -21-12.8961 79.5112 4 0 1 -22-13.7243 98.4481 4 0 -1 -22-175.316 129.376 4 0 -2 0 438589. 5390.87 1 0 -2 0 517588. 3660.74 2 0 -2 -1 101277. 1425.62 1 0 2 -2 265.985 106.431 3 0 2 -3 765485. 5019.13 3 0 2 -4 22478.0 924.734 3 0 2 -5 947743. 6552.51 3 0 2 -6 114065. 2468.66 3 0 2 -7 5312.51 574.480 3 0 2 7 4919.93 523.519 1 0 2 -8 18829.1 1143.02 3 0 2 8 19238.8 1027.99 1 0 2 -9 301060. 4830.07 3 0 2 9 338712. 4192.96 1 0 -2 10 47610.9 3432.33 1 0 2 -10 60221.7 2261.07 3 0 2 -11 356884. 3735.52 9 0 -2 11 286436. 8354.35 1 0 -2 -12 786.607 177.423 9 0 -2 12 533.987 468.966 1 0 2 -12 1064.78 227.174 9 0 -2 -13 22814.2 913.452 9 0 2 -13 22432.8 1017.11 9 0 -2 13 22610.3 2246.39 1 0 2 -14 1684.24 303.062 9 0 -2 -14 2168.61 304.445 9 0 2 -15 1547.44 302.261 9 0 -2 15 3345.37 1365.63 2 0 -2 -15 2136.14 306.099 9 0 2 15 2568.69 1212.80 2 0 2 -16 3192.05 433.940 9 0 -2 -16 3433.92 390.872 9 0 2 16 2252.51 1156.44 2 0 -2 16 3824.41 1472.22 2 0 2 -17 64907.7 1926.27 9 0 -2 -17 68618.6 1705.25 9 0 2 -18 17334.0 990.499 9 0 -2 -18 18053.7 869.790 9 0 2 -19 103925. 2331.89 9 0 2 -20 1156.77 241.188 9 0 2 -21 8546.49 583.191 9 0 -2 -21 9438.29 632.108 4 0 -2 -22 11202.8 659.431 4 0 2 -22 9132.78 530.718 9 0 -3 0 134.448 109.274 2 0 -3 0-1.51176 205.390 1 0 -3 -1-13.2910 110.005 1 0 3 -2 207.423 159.219 3 0 -3 -2 92.9388 52.7094 1 0 3 -3 332.130 143.837 3 0 3 -4 99.1988 117.593 3 0 3 -5 79.6039 88.3748 3 0 3 -6 252.878 148.685 3 0 3 7 70.3941 31.8450 1 0 3 -7 205.124 159.276 3 0 -3 8 218.760 399.980 1 0 3 -8-266.961 187.114 3 0 3 -9 451.307 217.682 3 0 -3 9-4.68838 450.566 1 0 3 -10 43.5720 114.053 3 0 -3 10-24.1572 276.134 1 0 3 -11-56.3481 118.024 3 0 3 -11 335.366 150.511 9 0 3 -12 115.628 89.7279 9 0 -3 -12 78.7564 77.2036 9 0 -3 12 471.008 448.025 1 0 -3 13-14.9533 217.255 1 0 3 -13-142.325 133.874 9 0 -3 -13-5.01000 122.359 9 0 -3 -14 212.620 106.568 9 0 -3 14 788.494 682.731 2 0 -3 14 434.127 389.576 1 0 3 -14 348.488 133.395 9 0 -3 -15 290.624 131.715 9 0 -3 15-206.877 431.002 2 0 3 -15 285.917 165.850 9 0 -3 -16 268.843 128.821 9 0 -3 16 371.202 561.449 2 0 3 -16 22.3903 122.709 9 0 3 -17 36.2167 137.143 9 0 3 -18 25.4812 125.864 9 0 3 -19 79.4361 162.235 9 0 3 -20-374.173 173.933 9 0 -3 -20-25.1009 88.7761 4 0 3 -21-94.3627 96.0757 9 0 -3 -21 11.7560 125.784 4 0 -3 -22-287.755 145.163 4 0 3 -22 6.30474 54.5822 9 0 -4 0 999999. 9985.60 1 0 -4 1 313103. 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558.483 8 -13 -9 -4 4759.63 520.754 7 -13 -9 -5 1110.96 262.624 7 -13 -9 5 1571.28 310.465 8 -13 -9 6 8150.15 664.175 8 -13 -9 -6 7293.95 571.351 7 -13 -9 7 958.248 221.357 8 -13 -9 8 377.855 136.708 8 -13 -10 0 86.1510 109.904 8 -13 -10 -1 4755.83 452.911 8 -13 -10 1 4963.99 499.335 8 -13 -10 2 19988.7 1023.95 8 -13 -10 3 77.2271 89.1183 8 -13 -10 4 36274.6 1386.03 8 -13 -10 5 7918.95 626.862 8 -13 -10 6 16369.8 849.658 8 -13 -10 7 13129.9 702.676 8 -13 -11 0 82.8222 65.5169 8 -13 -11 1 6331.07 492.999 8 -13 -11 2 2304.67 303.619 8 -13 -11 3 147.651 99.8844 8 -13 -11 4 31.0786 80.6824 8 -13 -11 5 4081.41 390.099 8 -13 -11 6 1885.77 250.540 8 -14 0 0 121859. 2865.16 7 -14 0 1-328.056 237.400 7 -14 0 -1-141.217 239.061 7 -14 0 -2 27410.4 1292.10 7 -14 0 2 24695.9 1363.08 7 -14 0 3-5.98278 208.712 7 -14 0 -3 30.6914 144.363 7 -14 0 -4 9799.44 741.489 7 -14 0 4 9896.18 958.370 7 -14 0 -5 3.88686 132.589 7 -14 0 -6 50336.4 1588.60 7 -14 0 -7-22.6255 121.964 7 -14 0 -8 20956.8 962.666 7 -14 0 -9 27.0508 87.8792 7 -14 0 -10 503.142 142.539 7 -14 1 0 39971.6 1650.30 7 -14 -1 0 41666.2 1652.17 7 -14 1 -1 3325.03 499.441 7 -14 -1 1 2919.32 466.388 7 -14 1 1 3188.38 489.436 7 -14 -1 -1 2989.55 444.572 7 -14 -1 -2 10679.2 790.306 7 -14 1 -2 10628.2 837.010 7 -14 -1 2 10359.3 885.447 7 -14 1 2 9060.30 834.984 7 -14 -1 -3 16967.5 974.062 7 -14 1 -3 17727.9 1054.22 7 -14 -1 3 16219.2 1161.55 7 -14 1 3 15845.4 1111.38 7 -14 -1 -4 2693.63 391.451 7 -14 1 -4 2794.73 421.291 7 -14 -1 4 2560.06 545.014 7 -14 -1 -5 8004.50 647.143 7 -14 1 -5 8838.25 706.748 7 -14 -1 -6 19442.9 969.090 7 -14 1 -6 20033.6 1044.42 7 -14 -1 -7 510.321 179.760 7 -14 1 -7 666.683 212.459 7 -14 -1 -8 7238.13 554.837 7 -14 1 -8 8142.73 625.325 7 -14 -1 -9 828.415 191.439 7 -14 1 -9 942.755 222.993 7 -14 -1 -10 631.464 158.922 7 -14 1 -10 322.027 137.680 7 -14 2 0 15961.1 1039.83 7 -14 -2 0 15658.3 994.127 7 -14 2 -1 8582.15 762.686 7 -14 -2 1 8560.41 769.557 7 -14 2 1 7310.71 735.378 7 -14 -2 -1 9315.14 759.005 7 -14 -2 2 1742.86 385.658 7 -14 2 2 1345.45 334.559 7 -14 -2 -2 1530.55 319.798 7 -14 2 -2 1582.35 363.449 7 -14 -2 -3 72098.9 1974.32 7 -14 2 -3 72811.2 2192.53 7 -14 -2 3 71891.0 2398.26 7 -14 -2 -4 6690.78 594.529 7 -14 2 -4 7444.38 704.960 7 -14 -2 4 6166.84 767.789 7 -14 -2 -5 28860.5 1195.25 7 -14 2 -5 29239.2 1343.09 7 -14 -2 -6 8750.84 642.835 7 -14 2 -6 8566.18 718.724 7 -14 -2 -7 87.4904 107.948 7 -14 2 -7-346.257 179.602 7 -14 -2 -8 270.759 144.637 7 -14 2 -8 228.925 157.809 7 -14 -2 -9 15630.5 742.784 7 -14 2 -9 16895.5 882.955 7 -14 -2 -10 1296.70 215.718 7 -14 2 -10 1509.60 261.262 7 -14 3 0 2654.10 430.469 7 -14 -3 0 3807.18 492.867 7 -14 3 -1 6050.24 647.749 7 -14 -3 1 8161.39 614.554 8 -14 -3 1 7758.91 720.144 7 -14 -3 -1 7844.40 679.219 7 -14 3 1 6616.91 674.528 7 -14 3 -2 6387.42 658.492 7 -14 -3 2 7821.86 603.045 8 -14 -3 2 7785.07 749.247 7 -14 -3 -2 7632.80 658.263 7 -14 3 -3 27554.2 1365.71 7 -14 -3 3 27885.1 1131.81 8 -14 -3 3 28528.8 1500.37 7 -14 -3 -3 29318.1 1253.29 7 -14 -3 -4 3721.50 449.644 7 -14 3 -4 4011.91 543.005 7 -14 -3 4 4172.89 436.390 8 -14 -3 4 3630.82 594.951 7 -14 -3 -5 7177.13 591.286 7 -14 3 -5 7688.31 726.645 7 -14 -3 5 7314.22 581.951 8 -14 -3 -6 551.472 178.893 7 -14 3 -6-116.748 169.188 7 -14 -3 -7 201.172 109.500 7 -14 3 -7 259.344 161.513 7 -14 -3 -8 5407.59 462.205 7 -14 3 -8 5621.50 556.382 7 -14 3 -9 8579.03 645.567 7 -14 -3 -9 7827.74 513.589 7 -14 3 -10 3395.34 384.374 7 -14 4 0 19511.2 1072.39 7 -14 -4 0 20626.8 951.226 8 -14 -4 0 19568.5 1085.02 7 -14 4 -1 2847.34 433.166 7 -14 -4 1 3784.59 425.588 8 -14 -4 1 3526.60 487.917 7 -14 -4 -1 3376.99 452.429 7 -14 4 -2 8219.92 721.340 7 -14 -4 2 9990.37 688.725 8 -14 -4 2 9291.10 808.430 7 -14 -4 -2 9863.86 742.275 7 -14 -4 3 21428.0 1002.90 8 -14 -4 3 19891.2 1228.23 7 -14 -4 -3 21121.8 1056.28 7 -14 -4 -4 362.921 181.041 7 -14 4 -4 277.726 169.670 7 -14 -4 4 370.824 153.284 8 -14 4 -5 2037.69 384.974 7 -14 -4 5 2376.58 345.928 8 -14 -4 -5 2376.62 350.164 7 -14 4 -6 16845.0 1054.07 7 -14 -4 6 18217.5 913.888 8 -14 -4 -6 17709.3 886.757 7 -14 4 -7 2778.19 428.775 7 -14 -4 -7 3515.80 392.040 7 -14 4 -8 29420.7 1260.31 7 -14 -4 -8 27880.6 1000.44 7 -14 4 -9 6413.55 557.031 7 -14 -4 -9 6407.24 450.340 7 -14 4 -10 5668.50 481.551 7 -14 -5 0 8866.55 646.802 8 -14 -5 0 8359.18 718.551 7 -14 -5 1 266.099 187.135 7 -14 -5 -1 372.034 179.603 7 -14 -5 -1 230.767 108.807 8 -14 -5 1 479.362 168.841 8 -14 5 -2 8030.84 669.026 7 -14 -5 2 8472.58 640.048 8 -14 -5 2 7930.20 751.606 7 -14 -5 -2 7975.98 665.376 7 -14 -5 -3-52.7849 141.932 7 -14 5 -3-31.2224 112.109 7 -14 -5 3-33.7975 64.9477 8 -14 -5 3 61.4107 179.779 7 -14 -5 -4 384.677 158.492 7 -14 5 -4 525.031 205.710 7 -14 -5 4 662.963 189.146 8 -14 5 -5 2278.03 375.928 7 -14 -5 5 2878.13 377.529 8 -14 -5 -5 2825.95 371.534 7 -14 5 -6 12536.5 854.844 7 -14 -5 6 15067.1 854.672 8 -14 -5 -6 14073.9 772.182 7 -14 -5 7 5274.17 496.886 8 -14 -5 -7 4543.05 422.437 7 -14 -5 -8 15699.6 732.457 7 -14 5 -9-113.004 108.362 7 -14 -6 0 16180.3 898.979 8 -14 -6 0 14687.0 954.600 7 -14 -6 1 1443.68 342.352 7 -14 -6 -1 1148.49 299.574 7 -14 -6 -1 1328.86 241.710 8 -14 -6 1 1327.82 261.826 8 -14 -6 2 3062.26 395.171 8 -14 -6 2 3410.46 486.717 7 -14 -6 -2 3512.35 448.775 7 -14 6 -3 6870.76 568.152 7 -14 -6 3 6769.92 589.373 8 -14 -6 -3 6365.77 582.127 7 -14 -6 -4 499.255 172.919 7 -14 6 -4 1092.92 246.082 7 -14 -6 4 819.486 199.542 8 -14 6 -5 11962.5 762.114 7 -14 -6 5 12536.7 797.802 8 -14 -6 -5 11463.2 718.886 7 -14 6 -6 13536.5 795.215 7 -14 -6 6 14774.7 850.142 8 -14 -6 -6 11992.5 704.507 7 -14 6 -7 4269.51 444.832 7 -14 -6 7 4527.05 458.133 8 -14 -6 -7 3802.32 379.420 7 -14 6 -8 9282.55 607.626 7 -14 -7 0 457.559 216.620 7 -14 -7 0 338.743 147.844 8 -14 -7 -1 294.104 181.597 7 -14 -7 1 533.233 183.013 8 -14 -7 1 245.433 190.573 7 -14 -7 -2 197.319 173.392 7 -14 -7 2 199.320 114.369 8 -14 -7 3 4862.65 502.699 8 -14 -7 -3 4352.07 488.362 7 -14 -7 -4 434.135 199.738 7 -14 -7 4 153.659 119.565 8 -14 7 -5 9690.94 587.545 7 -14 -7 5 11765.5 764.904 8 -14 -7 -5 10564.0 694.255 7 -14 -7 -6-47.1385 128.937 7 -14 7 -6-1.23873 69.9199 7 -14 -7 6 220.732 111.423 8 -14 -7 7 1700.29 272.929 8 -14 -8 0 1443.74 250.020 8 -14 -8 1 1271.92 240.960 8 -14 -8 2 2551.01 361.381 8 -14 -8 -2 1975.68 337.656 7 -14 -8 3 6644.76 578.197 8 -14 -8 -3 6424.32 576.921 7 -14 -8 -4-378.073 162.662 7 -14 -8 4 73.7897 79.5074 8 -14 -8 5 14527.6 822.588 8 -14 -8 -5 13083.9 745.633 7 -14 -8 6 7825.41 573.757 8 -14 -9 1 142.081 75.8924 8 -14 -9 2 5170.86 461.307 8 -14 -9 3 150.806 93.9975 8 -14 -9 4 337.134 124.063 8 -14 -9 5 1337.39 230.455 8 -15 0 0-393.646 215.944 7 -15 0 1-49.4323 163.276 7 -15 0 -1-331.517 184.231 7 -15 0 2 4868.50 610.260 7 -15 0 -2 5792.69 584.687 7 -15 0 -3-191.147 150.490 7 -15 0 -4 1317.78 291.958 7 -15 0 -5 121.367 146.659 7 -15 0 -6 2181.09 318.360 7 -15 0 -7 68.5654 97.0738 7 -15 -1 0 174.071 159.619 7 -15 1 0 93.7119 131.741 7 -15 -1 1 30368.2 1411.02 7 -15 1 1 26942.6 1312.09 7 -15 -1 -1 28325.2 1250.38 7 -15 1 -1 28817.0 1316.30 7 -15 -1 2 36372.2 1597.98 7 -15 -1 -2 34715.9 1341.44 7 -15 1 -2 35657.2 1450.63 7 -15 -1 3 2990.44 473.223 7 -15 -1 -3 3033.74 401.798 7 -15 1 -3 2976.55 423.438 7 -15 1 -4 35968.6 1371.39 7 -15 -1 -4 37207.0 1318.03 7 -15 1 -5 6055.30 555.498 7 -15 -1 -5 6130.06 523.314 7 -15 1 -6 3447.47 409.102 7 -15 -1 -6 3280.88 369.058 7 -15 1 -7 13625.3 752.049 7 -15 -1 -7 13322.9 701.741 7 -15 -2 0-375.808 202.099 7 -15 2 0-866.688 262.198 7 -15 -2 1 702.202 251.287 7 -15 -2 -1 330.047 181.560 7 -15 2 -1 333.105 182.774 7 -15 -2 2 4820.78 596.150 7 -15 -2 -2 4833.09 494.468 7 -15 2 -2 4601.17 534.169 7 -15 -2 -3 706.268 205.671 7 -15 2 -3 858.338 236.432 7 -15 -2 -4 552.068 179.261 7 -15 2 -4 714.108 245.779 7 -15 -2 -5 583.869 183.355 7 -15 2 -5 495.217 194.249 7 -15 -2 -6 153.855 112.769 7 -15 2 -6 371.914 161.938 7 -15 -2 -7 94.5135 93.3749 7 -15 2 -7 103.311 123.124 7 -15 -3 0-25.7368 139.276 7 -15 -3 1 37915.5 1486.58 7 -15 -3 -1 39257.4 1409.60 7 -15 3 -1 36652.8 1391.27 7 -15 -3 2 1997.83 390.256 7 -15 -3 -2 2038.88 309.753 7 -15 3 -2 2402.81 376.849 7 -15 3 -3 1976.28 338.295 7 -15 -3 -3 2091.89 317.783 7 -15 3 -4 8625.99 674.327 7 -15 -3 -4 9546.66 631.690 7 -15 3 -5 20247.6 1013.72 7 -15 -3 -5 20511.2 895.740 7 -15 3 -6 8327.88 633.198 7 -15 -3 -6 8842.07 564.737 7 -15 -4 0-34.3346 154.224 7 -15 -4 1 3014.34 416.658 7 -15 -4 -1 3164.01 409.314 7 -15 -4 -2 1489.06 275.274 7 -15 -4 -3-325.330 155.431 7 -15 4 -3 246.220 138.389 7 -15 -4 -4 206.688 127.253 7 -15 4 -4 60.4534 103.048 7 -15 -4 -5 3193.30 353.290 7 -15 -4 -6 197.564 113.314 7 -15 -5 0 127.096 135.461 7 -15 -5 -1 882.761 221.208 7 -15 -5 1 847.336 246.315 7 -15 -5 -2 24347.5 1056.54 7 -15 -5 -3 776.574 205.652 7 -15 -5 -4 31230.6 1116.78 7 -15 -5 -5 422.150 152.842 7 -15 -6 -1 2091.15 326.405 7 -15 -6 -2 220.524 137.036 7 -15 -6 -3 316.942 137.308 7 0 0 0 0.00 0.00 0 TITL XN14_103_LU253 in Pbca REM Pbca (#61 in standard setting) CELL 1.54184 13.093111 17.511973 19.118739 90.0000 90.0000 90.0000 ZERR 8.00 0.000116 0.000173 0.000157 0.0000 0.0000 0.0000 LATT 1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H N Cl Ge Au UNIT 152.00 256.00 16.00 8.00 8.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 69869 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z' 'x, -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 C15 C 0.5919(7) 0.0910(3) 0.2425(3) 0.082(2) Uani 1 1 d . . H15A H 0.5227 0.0759 0.2286 0.123 Uiso 1 1 calc R U H15B H 0.6165 0.0567 0.2793 0.123 Uiso 1 1 calc R U H15C H 0.6375 0.0878 0.2020 0.123 Uiso 1 1 calc R U C13 C 0.5140(5) 0.1768(3) 0.3292(3) 0.0630(15) Uani 1 1 d . . H13A H 0.5196 0.2267 0.3521 0.095 Uiso 1 1 calc R U H13B H 0.5283 0.1364 0.3632 0.095 Uiso 1 1 calc R U H13C H 0.4448 0.1704 0.3107 0.095 Uiso 1 1 calc R U C12 C 0.5903(3) 0.1722(2) 0.2698(2) 0.0376(9) Uani 1 1 d . . C14 C 0.6951(5) 0.1942(4) 0.2961(3) 0.0761(19) Uani 1 1 d . . H14A H 0.7451 0.1882 0.2583 0.114 Uiso 1 1 calc R U H14B H 0.7140 0.1611 0.3353 0.114 Uiso 1 1 calc R U H14C H 0.6943 0.2475 0.3117 0.114 Uiso 1 1 calc R U C5 C 0.5417(3) 0.2959(2) 0.20603(19) 0.0275(7) Uani 1 1 d . . C6 C 0.5340(3) 0.3489(2) 0.26674(19) 0.0303(8) Uani 1 1 d . . C7 C 0.4412(4) 0.3552(2) 0.3033(2) 0.0376(9) Uani 1 1 d . . H7 H 0.3833 0.3265 0.2889 0.045 Uiso 1 1 calc R U C8 C 0.4346(4) 0.4039(2) 0.3607(2) 0.0408(9) Uani 1 1 d . . H8 H 0.3721 0.4082 0.3856 0.049 Uiso 1 1 calc R U C9 C 0.5176(4) 0.4454(2) 0.3814(2) 0.0419(10) Uani 1 1 d . . H9 H 0.5126 0.4780 0.4210 0.050 Uiso 1 1 calc R U C10 C 0.6086(3) 0.4405(3) 0.3453(2) 0.0434(10) Uani 1 1 d . . H10 H 0.6656 0.4704 0.3593 0.052 Uiso 1 1 calc R U C11 C 0.6165(3) 0.3918(2) 0.2884(2) 0.0369(9) Uani 1 1 d . . H11 H 0.6796 0.3879 0.2640 0.044 Uiso 1 1 calc R U C4 C 0.4884(3) 0.3860(2) 0.10805(19) 0.0302(8) Uani 1 1 d . . C2 C 0.4865(4) 0.3731(3) 0.0291(2) 0.0405(10) Uani 1 1 d . . H2A H 0.5565 0.3669 0.0119 0.061 Uiso 1 1 calc R U H2B H 0.4547 0.4170 0.0061 0.061 Uiso 1 1 calc R U H2C H 0.4471 0.3269 0.0186 0.061 Uiso 1 1 calc R U C1 C 0.3795(3) 0.4016(3) 0.1335(2) 0.0434(10) Uani 1 1 d . . H1A H 0.3379 0.3555 0.1275 0.065 Uiso 1 1 calc R U H1B H 0.3498 0.4434 0.1062 0.065 Uiso 1 1 calc R U H1C H 0.3810 0.4158 0.1831 0.065 Uiso 1 1 calc R U C3 C 0.5573(4) 0.4541(2) 0.1241(2) 0.0438(10) Uani 1 1 d . . H3A H 0.5583 0.4633 0.1746 0.066 Uiso 1 1 calc R U H3B H 0.5312 0.4995 0.1001 0.066 Uiso 1 1 calc R U H3C H 0.6268 0.4432 0.1078 0.066 Uiso 1 1 calc R U C16 C 0.6774(3) 0.1971(2) 0.0621(2) 0.0330(8) Uani 1 1 d . . C17 C 0.7123(5) 0.1138(3) 0.0681(4) 0.0701(19) Uani 1 1 d . . H17A H 0.7749 0.1065 0.0407 0.105 Uiso 1 1 calc R U H17B H 0.6587 0.0801 0.0501 0.105 Uiso 1 1 calc R U H17C H 0.7258 0.1016 0.1172 0.105 Uiso 1 1 calc R U C18 C 0.6617(4) 0.2160(3) -0.0152(2) 0.0460(11) Uani 1 1 d . . H18A H 0.6424 0.2698 -0.0200 0.069 Uiso 1 1 calc R U H18B H 0.6073 0.1838 -0.0343 0.069 Uiso 1 1 calc R U H18C H 0.7252 0.2067 -0.0409 0.069 Uiso 1 1 calc R U C19 C 0.7563(3) 0.2511(3) 0.0930(2) 0.0495(11) Uani 1 1 d . . H19A H 0.8215 0.2445 0.0687 0.074 Uiso 1 1 calc R U H19B H 0.7653 0.2396 0.1428 0.074 Uiso 1 1 calc R U H19C H 0.7329 0.3039 0.0876 0.074 Uiso 1 1 calc R U Au1 Au 0.40007(2) 0.14278(2) 0.06963(2) 0.02858(8) Uani 1 1 d . . Cl1 Cl 0.26163(7) 0.07202(6) 0.03041(5) 0.0383(2) Uani 1 1 d . . Ge1 Ge 0.54344(3) 0.20881(2) 0.10854(2) 0.02661(11) Uani 1 1 d . . N2 N 0.5623(3) 0.22114(18) 0.20970(15) 0.0301(7) Uani 1 1 d . . N1 N 0.5286(2) 0.31517(18) 0.13893(16) 0.0276(6) Uani 1 1 d . . 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 C15 0.175(8) 0.029(2) 0.041(3) 0.003(2) -0.012(3) 0.021(3) C13 0.081(4) 0.058(3) 0.050(3) 0.025(3) 0.019(3) 0.011(3) C12 0.056(3) 0.029(2) 0.0269(19) 0.0045(16) -0.0023(17) 0.0043(18) C14 0.066(4) 0.088(5) 0.074(4) 0.036(3) -0.033(3) -0.008(3) C5 0.0260(17) 0.0293(18) 0.0270(17) -0.0032(14) -0.0008(14) 0.0008(15) C6 0.041(2) 0.0261(17) 0.0236(17) -0.0010(14) -0.0032(15) 0.0039(16) C7 0.042(2) 0.036(2) 0.034(2) -0.0004(16) 0.0040(19) -0.0046(18) C8 0.056(3) 0.034(2) 0.032(2) -0.0019(17) 0.0112(19) 0.002(2) C9 0.066(3) 0.032(2) 0.0282(19) -0.0062(16) -0.0042(19) 0.007(2) C10 0.050(3) 0.038(2) 0.042(2) -0.0092(19) -0.0128(19) 0.002(2) C11 0.037(2) 0.034(2) 0.040(2) -0.0094(18) -0.0084(17) 0.0035(18) C4 0.0336(19) 0.0282(18) 0.0286(18) 0.0055(15) -0.0002(15) 0.0033(16) C2 0.048(2) 0.044(2) 0.030(2) 0.0024(17) -0.0010(18) 0.006(2) C1 0.040(2) 0.050(3) 0.040(2) 0.002(2) -0.0039(19) 0.015(2) C3 0.061(3) 0.028(2) 0.043(2) 0.0031(17) -0.006(2) -0.003(2) C16 0.032(2) 0.033(2) 0.0344(19) -0.0011(15) 0.0035(15) 0.0002(17) C17 0.065(4) 0.040(3) 0.106(5) 0.017(3) 0.039(3) 0.018(3) C18 0.047(2) 0.056(3) 0.034(2) -0.009(2) 0.0099(19) -0.003(2) C19 0.036(2) 0.071(3) 0.041(2) -0.007(2) 0.0017(19) -0.011(2) Au1 0.03063(12) 0.02709(11) 0.02801(11) -0.00162(5) -0.00286(5) -0.00242(6) Cl1 0.0376(5) 0.0335(5) 0.0438(5) 0.0017(4) -0.0127(4) -0.0084(4) Ge1 0.0296(2) 0.0259(2) 0.0243(2) -0.00274(15) -0.00107(15) -0.00188(16) N2 0.0414(17) 0.0255(15) 0.0235(14) -0.0030(12) -0.0036(13) 0.0021(14) N1 0.0317(15) 0.0260(15) 0.0251(14) -0.0025(12) -0.0027(12) 0.0014(13) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 '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 N2 C12 C14 109.6(4) N2 C12 C13 112.8(4) C14 C12 C13 109.6(5) N2 C12 C15 106.3(3) C14 C12 C15 109.9(5) C13 C12 C15 108.5(5) N1 C5 N2 108.9(3) N1 C5 C6 125.5(3) N2 C5 C6 125.6(3) N1 C5 Ge1 54.48(18) N2 C5 Ge1 54.50(18) C6 C5 Ge1 176.6(3) C11 C6 C7 119.0(4) C11 C6 C5 121.3(4) C7 C6 C5 119.7(4) C8 C7 C6 119.6(4) C9 C8 C7 120.3(4) C8 C9 C10 120.6(4) C9 C10 C11 119.7(4) C6 C11 C10 120.8(4) N1 C4 C2 106.1(3) N1 C4 C3 111.5(3) C2 C4 C3 108.9(3) N1 C4 C1 110.9(3) C2 C4 C1 109.0(3) C3 C4 C1 110.4(4) C19 C16 C18 109.5(4) C19 C16 C17 111.1(4) C18 C16 C17 108.6(4) C19 C16 Ge1 111.3(3) C18 C16 Ge1 107.0(3) C17 C16 Ge1 109.2(3) Cl1 Au1 Ge1 177.41(3) N1 Ge1 N2 67.40(13) N1 Ge1 C16 108.62(15) N2 Ge1 C16 110.05(15) N1 Ge1 Au1 119.15(9) N2 Ge1 Au1 118.12(10) C16 Ge1 Au1 121.38(12) N1 Ge1 C5 33.72(12) N2 Ge1 C5 33.74(13) C16 Ge1 C5 114.93(15) Au1 Ge1 C5 123.69(9) C5 N2 C12 131.1(3) C5 N2 Ge1 91.8(2) C12 N2 Ge1 137.2(3) C5 N1 C4 130.1(3) C5 N1 Ge1 91.8(2) C4 N1 Ge1 135.9(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C15 C12 1.516(7) C13 C12 1.514(7) C12 N2 1.480(5) C12 C14 1.512(7) C5 N1 1.338(5) C5 N2 1.339(5) C5 C6 1.490(5) C5 Ge1 2.409(4) C6 C11 1.379(6) C6 C7 1.407(6) C7 C8 1.392(6) C8 C9 1.367(7) C9 C10 1.380(7) C10 C11 1.387(6) C4 N1 1.472(5) C4 C2 1.526(6) C4 C3 1.527(6) C4 C1 1.531(6) C16 C19 1.520(6) C16 C18 1.529(6) C16 C17 1.533(7) C16 Ge1 1.977(4) Au1 Cl1 2.3205(9) Au1 Ge1 2.3271(4) Ge1 N1 1.961(3) Ge1 N2 1.962(3)