 
data_compound2(benzene)2 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C66 H84 Ge2 N4' 
_chemical_formula_weight          1078.55 
 
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' 
 'N'  'N'   0.0061   0.0033 
 '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' 
 
_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    12.2068(2) 
_cell_length_b                    13.3207(3) 
_cell_length_c                    20.7196(4) 
_cell_angle_alpha                 92.4670(10) 
_cell_angle_beta                  93.1220(10) 
_cell_angle_gamma                 116.6340(10) 
_cell_volume                      2998.50(10) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     123(2) 
_cell_measurement_reflns_used     5672 
_cell_measurement_theta_min       2.71 
_cell_measurement_theta_max       25.33 
 
_exptl_crystal_description        'block' 
_exptl_crystal_colour             'red' 
_exptl_crystal_size_max           0.30 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.18 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.195 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1144 
_exptl_absorpt_coefficient_mu     1.044 
_exptl_absorpt_correction_type    'multi-scan' 
_exptl_absorpt_correction_T_min   0.742 
_exptl_absorpt_correction_T_max   0.834 
_exptl_absorpt_process_details    'Sortav (Blessing, 1995)'
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       123(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker Apex X8' 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             99544 
_diffrn_reflns_av_R_equivalents   0.0461 
_diffrn_reflns_av_sigmaI/netI     0.0519 
_diffrn_reflns_limit_h_min        -17 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -29 
_diffrn_reflns_limit_l_max        29 
_diffrn_reflns_theta_min          2.83 
_diffrn_reflns_theta_max          30.00 
_reflns_number_total              17459 
_reflns_number_gt                 12679 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Apex2 v2012.2.0 (Bruker AXS, 2012)' 
_computing_cell_refinement        'Apex2 v2012.2.0 (Bruker AXS, 2012)' 
_computing_data_reduction         'Apex2 v2012.2.0 (Bruker AXS, 2012)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'X-Seed (Barbour, 2001)' 
_computing_publication_material   'CIFTAB (Sheldrick, 1997)'
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. Two molecules of benzene of
 crystallisation were refined, with their carbon atoms anisotropic, in the
 asymmetric unit of the crystal structure. Use of the ADSYMM program did
 not identify a higher symmetry space group than P-1 for the solution of
 the crystal structure.
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0336P)²+1.0138P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          17459 
_refine_ls_number_parameters      665 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0658 
_refine_ls_R_factor_gt            0.0381 
_refine_ls_wR_factor_ref          0.0859 
_refine_ls_wR_factor_gt           0.0772 
_refine_ls_goodness_of_fit_ref    1.035 
_refine_ls_restrained_S_all       1.035 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ge1 Ge 0.404843(15) 0.421717(13) 0.503129(8) 0.01795(5) Uani 1 1 d . . . 
N1 N 0.49268(12) 0.25668(10) 0.44641(6) 0.0163(3) Uani 1 1 d . . . 
C1 C 0.44178(13) 0.32788(12) 0.43648(7) 0.0151(3) Uani 1 1 d . . . 
Ge2 Ge 0.590000(15) 0.020687(14) 0.032433(9) 0.01982(5) Uani 1 1 d . . . 
N2 N 0.40563(12) 0.30958(11) 0.37187(6) 0.0165(3) Uani 1 1 d . . . 
C2 C 0.48616(15) 0.19486(14) 0.38950(8) 0.0209(3) Uani 1 1 d . . . 
H2 H 0.5145 0.1394 0.3845 0.025 Uiso 1 1 calc R . . 
N3 N 0.57600(12) 0.21587(11) 0.10953(6) 0.0169(3) Uani 1 1 d . . . 
C3 C 0.43214(15) 0.22831(14) 0.34289(8) 0.0209(3) Uani 1 1 d . . . 
H3 H 0.4153 0.2014 0.2985 0.025 Uiso 1 1 calc R . . 
N4 N 0.69207(12) 0.27637(11) 0.03152(6) 0.0169(3) Uani 1 1 d . . . 
C4 C 0.52970(14) 0.23566(13) 0.50972(8) 0.0178(3) Uani 1 1 d . . . 
C5 C 0.44100(15) 0.15101(13) 0.54229(8) 0.0216(4) Uani 1 1 d . . . 
C6 C 0.47682(18) 0.13342(15) 0.60393(9) 0.0294(4) Uani 1 1 d . . . 
H6 H 0.4189 0.0766 0.6276 0.035 Uiso 1 1 calc R . . 
C7 C 0.59506(19) 0.19724(16) 0.63114(9) 0.0329(4) Uani 1 1 d . . . 
H7 H 0.6174 0.1849 0.6736 0.039 Uiso 1 1 calc R . . 
C8 C 0.68158(17) 0.27905(15) 0.59734(9) 0.0287(4) Uani 1 1 d . . . 
H8 H 0.7630 0.3216 0.6167 0.034 Uiso 1 1 calc R . . 
C9 C 0.65145(15) 0.30016(13) 0.53545(8) 0.0212(3) Uani 1 1 d . . . 
C10 C 0.31003(16) 0.08014(14) 0.51339(9) 0.0277(4) Uani 1 1 d . . . 
H10 H 0.3038 0.1030 0.4685 0.033 Uiso 1 1 calc R . . 
C11 C 0.21862(18) 0.10083(17) 0.55188(12) 0.0448(6) Uani 1 1 d . . . 
H11A H 0.2208 0.0767 0.5957 0.067 Uiso 1 1 calc R . . 
H11B H 0.1357 0.0578 0.5304 0.067 Uiso 1 1 calc R . . 
H11C H 0.2404 0.1813 0.5543 0.067 Uiso 1 1 calc R . . 
C12 C 0.2783(2) -0.04470(16) 0.50819(12) 0.0452(6) Uani 1 1 d . . . 
H12A H 0.3394 -0.0558 0.4841 0.068 Uiso 1 1 calc R . . 
H12B H 0.1965 -0.0879 0.4854 0.068 Uiso 1 1 calc R . . 
H12C H 0.2786 -0.0705 0.5517 0.068 Uiso 1 1 calc R . . 
C13 C 0.74717(15) 0.38659(14) 0.49729(9) 0.0235(4) Uani 1 1 d . . . 
H13 H 0.7041 0.4169 0.4674 0.028 Uiso 1 1 calc R . . 
C14 C 0.80746(17) 0.33095(16) 0.45576(10) 0.0327(4) Uani 1 1 d . . . 
H14A H 0.8506 0.3005 0.4839 0.049 Uiso 1 1 calc R . . 
H14B H 0.8663 0.3869 0.4297 0.049 Uiso 1 1 calc R . . 
H14C H 0.7441 0.2697 0.4270 0.049 Uiso 1 1 calc R . . 
C15 C 0.84518(17) 0.48578(15) 0.54024(10) 0.0343(5) Uani 1 1 d . . . 
H15A H 0.8053 0.5169 0.5692 0.051 Uiso 1 1 calc R . . 
H15B H 0.8973 0.5441 0.5130 0.051 Uiso 1 1 calc R . . 
H15C H 0.8959 0.4599 0.5661 0.051 Uiso 1 1 calc R . . 
C16 C 0.33536(15) 0.35810(14) 0.33925(8) 0.0194(3) Uani 1 1 d . . . 
C17 C 0.20701(16) 0.29797(15) 0.33597(9) 0.0256(4) Uani 1 1 d . . . 
C18 C 0.14106(18) 0.34392(18) 0.30197(10) 0.0345(5) Uani 1 1 d . . . 
H18 H 0.0538 0.3050 0.2980 0.041 Uiso 1 1 calc R . . 
C19 C 0.19940(19) 0.44439(18) 0.27402(10) 0.0362(5) Uani 1 1 d . . . 
H19 H 0.1522 0.4741 0.2513 0.043 Uiso 1 1 calc R . . 
C20 C 0.32604(18) 0.50220(16) 0.27889(9) 0.0299(4) Uani 1 1 d . . . 
H20 H 0.3651 0.5720 0.2598 0.036 Uiso 1 1 calc R . . 
C21 C 0.39744(16) 0.45992(14) 0.31122(8) 0.0208(3) Uani 1 1 d . . . 
C22 C 0.14044(16) 0.18889(16) 0.36760(10) 0.0326(4) Uani 1 1 d . . . 
H22 H 0.2034 0.1755 0.3937 0.039 Uiso 1 1 calc R . . 
C23 C 0.0752(2) 0.08985(18) 0.31671(12) 0.0511(6) Uani 1 1 d . . . 
H23A H 0.0134 0.1012 0.2901 0.077 Uiso 1 1 calc R . . 
H23B H 0.0349 0.0199 0.3384 0.077 Uiso 1 1 calc R . . 
H23C H 0.1354 0.0849 0.2890 0.077 Uiso 1 1 calc R . . 
C24 C 0.0504(2) 0.19531(19) 0.41368(13) 0.0533(6) Uani 1 1 d . . . 
H24A H 0.0939 0.2598 0.4455 0.080 Uiso 1 1 calc R . . 
H24B H 0.0143 0.1259 0.4362 0.080 Uiso 1 1 calc R . . 
H24C H -0.0150 0.2043 0.3890 0.080 Uiso 1 1 calc R . . 
C25 C 0.53648(16) 0.51950(14) 0.31343(8) 0.0222(4) Uani 1 1 d . . . 
H25 H 0.5694 0.5006 0.3539 0.027 Uiso 1 1 calc R . . 
C26 C 0.57866(18) 0.47427(16) 0.25570(9) 0.0302(4) Uani 1 1 d . . . 
H26A H 0.5469 0.3925 0.2566 0.045 Uiso 1 1 calc R . . 
H26B H 0.6687 0.5099 0.2583 0.045 Uiso 1 1 calc R . . 
H26C H 0.5473 0.4914 0.2153 0.045 Uiso 1 1 calc R . . 
C27 C 0.59010(18) 0.64744(15) 0.31495(10) 0.0319(4) Uani 1 1 d . . . 
H27A H 0.5669 0.6688 0.2736 0.048 Uiso 1 1 calc R . . 
H27B H 0.6799 0.6811 0.3219 0.048 Uiso 1 1 calc R . . 
H27C H 0.5579 0.6747 0.3503 0.048 Uiso 1 1 calc R . . 
C28 C 0.61571(13) 0.17944(13) 0.05732(7) 0.0155(3) Uani 1 1 d . . . 
C29 C 0.62787(16) 0.33241(14) 0.11574(8) 0.0243(4) Uani 1 1 d . . . 
H29 H 0.6144 0.3771 0.1483 0.029 Uiso 1 1 calc R . . 
C30 C 0.70047(16) 0.37008(14) 0.06715(8) 0.0246(4) Uani 1 1 d . . . 
H30 H 0.7485 0.4466 0.0588 0.030 Uiso 1 1 calc R . . 
C31 C 0.50474(14) 0.14260(13) 0.15686(8) 0.0177(3) Uani 1 1 d . . . 
C32 C 0.56811(15) 0.11495(14) 0.20556(8) 0.0204(3) Uani 1 1 d . . . 
C33 C 0.49806(17) 0.04116(15) 0.24958(9) 0.0264(4) Uani 1 1 d . . . 
H33 H 0.5381 0.0208 0.2835 0.032 Uiso 1 1 calc R . . 
C34 C 0.37189(17) -0.00286(14) 0.24490(9) 0.0275(4) Uani 1 1 d . . . 
H34 H 0.3259 -0.0540 0.2751 0.033 Uiso 1 1 calc R . . 
C35 C 0.31171(16) 0.02658(14) 0.19688(9) 0.0251(4) Uani 1 1 d . . . 
H35 H 0.2246 -0.0042 0.1946 0.030 Uiso 1 1 calc R . . 
C36 C 0.37646(15) 0.10074(13) 0.15169(8) 0.0194(3) Uani 1 1 d . . . 
C37 C 0.70723(16) 0.16516(16) 0.21176(9) 0.0276(4) Uani 1 1 d . . . 
H37 H 0.7362 0.1927 0.1687 0.033 Uiso 1 1 calc R . . 
C38 C 0.7537(2) 0.0806(2) 0.22764(14) 0.0568(7) Uani 1 1 d . . . 
H38A H 0.8431 0.1153 0.2259 0.085 Uiso 1 1 calc R . . 
H38B H 0.7150 0.0150 0.1961 0.085 Uiso 1 1 calc R . . 
H38C H 0.7331 0.0566 0.2713 0.085 Uiso 1 1 calc R . . 
C39 C 0.7625(2) 0.2661(2) 0.26071(14) 0.0618(8) Uani 1 1 d . . . 
H39A H 0.7393 0.2416 0.3040 0.093 Uiso 1 1 calc R . . 
H39B H 0.7316 0.3200 0.2493 0.093 Uiso 1 1 calc R . . 
H39C H 0.8523 0.3021 0.2605 0.093 Uiso 1 1 calc R . . 
C40 C 0.31057(15) 0.13597(15) 0.10051(9) 0.0253(4) Uani 1 1 d . . . 
H40 H 0.3612 0.1558 0.0624 0.030 Uiso 1 1 calc R . . 
C41 C 0.3015(2) 0.24163(18) 0.12575(11) 0.0423(5) Uani 1 1 d . . . 
H41A H 0.2536 0.2250 0.1638 0.063 Uiso 1 1 calc R . . 
H41B H 0.2607 0.2650 0.0918 0.063 Uiso 1 1 calc R . . 
H41C H 0.3842 0.3024 0.1378 0.063 Uiso 1 1 calc R . . 
C42 C 0.18317(17) 0.04251(17) 0.07711(10) 0.0353(5) Uani 1 1 d . . . 
H42A H 0.1895 -0.0264 0.0645 0.053 Uiso 1 1 calc R . . 
H42B H 0.1500 0.0658 0.0397 0.053 Uiso 1 1 calc R . . 
H42C H 0.1283 0.0282 0.1121 0.053 Uiso 1 1 calc R . . 
C43 C 0.76421(14) 0.28169(13) -0.02236(8) 0.0184(3) Uani 1 1 d . . . 
C44 C 0.87971(15) 0.28568(14) -0.00884(8) 0.0220(4) Uani 1 1 d . . . 
C45 C 0.94745(16) 0.28984(15) -0.06121(9) 0.0287(4) Uani 1 1 d . . . 
H45 H 1.0256 0.2912 -0.0541 0.034 Uiso 1 1 calc R . . 
C46 C 0.90297(17) 0.29207(17) -0.12350(10) 0.0334(4) Uani 1 1 d . . . 
H46 H 0.9507 0.2949 -0.1587 0.040 Uiso 1 1 calc R . . 
C47 C 0.78973(17) 0.29023(16) -0.13493(9) 0.0292(4) Uani 1 1 d . . . 
H47 H 0.7610 0.2930 -0.1780 0.035 Uiso 1 1 calc R . . 
C48 C 0.71647(15) 0.28435(13) -0.08451(8) 0.0212(3) Uani 1 1 d . . . 
C49 C 0.93261(16) 0.28770(15) 0.05921(9) 0.0271(4) Uani 1 1 d . . . 
H49 H 0.8690 0.2802 0.0897 0.032 Uiso 1 1 calc R . . 
C50 C 0.9649(2) 0.19177(19) 0.06749(12) 0.0490(6) Uani 1 1 d . . . 
H50A H 0.8916 0.1200 0.0563 0.074 Uiso 1 1 calc R . . 
H50B H 0.9951 0.1944 0.1126 0.074 Uiso 1 1 calc R . . 
H50C H 1.0289 0.1986 0.0389 0.074 Uiso 1 1 calc R . . 
C51 C 1.0460(3) 0.4001(2) 0.07746(13) 0.0700(9) Uani 1 1 d . . . 
H51A H 1.1099 0.4091 0.0483 0.105 Uiso 1 1 calc R . . 
H51B H 1.0771 0.4014 0.1223 0.105 Uiso 1 1 calc R . . 
H51C H 1.0237 0.4618 0.0735 0.105 Uiso 1 1 calc R . . 
C52 C 0.59383(15) 0.28564(15) -0.09719(8) 0.0236(4) Uani 1 1 d . . . 
H52 H 0.5434 0.2512 -0.0604 0.028 Uiso 1 1 calc R . . 
C53 C 0.52237(17) 0.21638(16) -0.15954(9) 0.0309(4) Uani 1 1 d . . . 
H53A H 0.5665 0.2518 -0.1969 0.046 Uiso 1 1 calc R . . 
H53B H 0.4404 0.2130 -0.1631 0.046 Uiso 1 1 calc R . . 
H53C H 0.5144 0.1399 -0.1586 0.046 Uiso 1 1 calc R . . 
C54 C 0.61151(18) 0.40659(16) -0.09825(10) 0.0335(4) Uani 1 1 d . . . 
H54A H 0.6489 0.4472 -0.0560 0.050 Uiso 1 1 calc R . . 
H54B H 0.5315 0.4059 -0.1073 0.050 Uiso 1 1 calc R . . 
H54C H 0.6655 0.4442 -0.1321 0.050 Uiso 1 1 calc R . . 
C55 C 0.0696(2) 0.7148(2) 0.30194(10) 0.0468(6) Uani 1 1 d . . . 
H55 H 0.1315 0.7343 0.2724 0.056 Uiso 1 1 calc R . . 
C56 C -0.0196(3) 0.6057(2) 0.30130(12) 0.0566(7) Uani 1 1 d . . . 
H56 H -0.0195 0.5497 0.2714 0.068 Uiso 1 1 calc R . . 
C57 C -0.1096(2) 0.5774(2) 0.34429(14) 0.0560(7) Uani 1 1 d . . . 
H57 H -0.1712 0.5017 0.3444 0.067 Uiso 1 1 calc R . . 
C58 C -0.1099(2) 0.6584(2) 0.38661(12) 0.0524(6) Uani 1 1 d . . . 
H58 H -0.1721 0.6396 0.4160 0.063 Uiso 1 1 calc R . . 
C59 C -0.0205(2) 0.7667(2) 0.38669(11) 0.0473(6) Uani 1 1 d . . . 
H59 H -0.0207 0.8230 0.4163 0.057 Uiso 1 1 calc R . . 
C60 C 0.06981(19) 0.7951(2) 0.34450(11) 0.0435(5) Uani 1 1 d . . . 
H60 H 0.1322 0.8706 0.3451 0.052 Uiso 1 1 calc R . . 
C61 C 0.2694(3) 0.2418(3) -0.06995(13) 0.0613(7) Uani 1 1 d . . . 
H61 H 0.3140 0.2470 -0.0299 0.074 Uiso 1 1 calc R . . 
C62 C 0.2064(3) 0.1406(2) -0.10226(18) 0.0701(9) Uani 1 1 d . . . 
H62 H 0.2038 0.0748 -0.0849 0.084 Uiso 1 1 calc R . . 
C63 C 0.1440(3) 0.1345(3) -0.1629(2) 0.0915(13) Uani 1 1 d . . . 
H63 H 0.0977 0.0651 -0.1880 0.110 Uiso 1 1 calc R . . 
C64 C 0.1546(3) 0.2390(4) -0.18426(13) 0.0780(11) Uani 1 1 d . . . 
H64 H 0.1175 0.2415 -0.2253 0.094 Uiso 1 1 calc R . . 
C65 C 0.2170(3) 0.3323(3) -0.14585(17) 0.0636(8) Uani 1 1 d . . . 
H65 H 0.2211 0.4010 -0.1595 0.076 Uiso 1 1 calc R . . 
C66 C 0.2718(2) 0.3337(2) -0.09138(17) 0.0641(8) Uani 1 1 d . . . 
H66 H 0.3155 0.4029 -0.0658 0.077 Uiso 1 1 calc R . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ge1 C1 2.0241(16) . ? 
Ge1 Ge1 2.3400(3) 2_666 ? 
N1 C1 1.364(2) . ? 
N1 C2 1.386(2) . ? 
N1 C4 1.443(2) . ? 
C1 N2 1.363(2) . ? 
Ge2 C28 2.0322(15) . ? 
Ge2 Ge2 2.3381(3) 2_655 ? 
N2 C3 1.385(2) . ? 
N2 C16 1.443(2) . ? 
C2 C3 1.341(2) . ? 
N3 C28 1.365(2) . ? 
N3 C29 1.386(2) . ? 
N3 C31 1.444(2) . ? 
N4 C28 1.362(2) . ? 
N4 C30 1.383(2) . ? 
N4 C43 1.444(2) . ? 
C4 C5 1.396(2) . ? 
C4 C9 1.400(2) . ? 
C5 C6 1.391(2) . ? 
C5 C10 1.516(2) . ? 
C6 C7 1.376(3) . ? 
C7 C8 1.381(3) . ? 
C8 C9 1.390(2) . ? 
C9 C13 1.513(2) . ? 
C10 C11 1.520(3) . ? 
C10 C12 1.526(3) . ? 
C13 C14 1.528(3) . ? 
C13 C15 1.528(2) . ? 
C16 C21 1.395(2) . ? 
C16 C17 1.400(2) . ? 
C17 C18 1.392(3) . ? 
C17 C22 1.511(3) . ? 
C18 C19 1.375(3) . ? 
C19 C20 1.379(3) . ? 
C20 C21 1.391(2) . ? 
C21 C25 1.514(2) . ? 
C22 C24 1.523(3) . ? 
C22 C23 1.528(3) . ? 
C25 C27 1.525(2) . ? 
C25 C26 1.530(2) . ? 
C29 C30 1.339(2) . ? 
C31 C32 1.398(2) . ? 
C31 C36 1.403(2) . ? 
C32 C33 1.392(2) . ? 
C32 C37 1.516(2) . ? 
C33 C34 1.376(3) . ? 
C34 C35 1.377(3) . ? 
C35 C36 1.392(2) . ? 
C36 C40 1.510(2) . ? 
C37 C38 1.511(3) . ? 
C37 C39 1.512(3) . ? 
C40 C42 1.528(2) . ? 
C40 C41 1.533(3) . ? 
C43 C48 1.393(2) . ? 
C43 C44 1.399(2) . ? 
C44 C45 1.388(2) . ? 
C44 C49 1.513(2) . ? 
C45 C46 1.379(3) . ? 
C46 C47 1.379(3) . ? 
C47 C48 1.394(2) . ? 
C48 C52 1.514(2) . ? 
C49 C50 1.510(3) . ? 
C49 C51 1.529(3) . ? 
C52 C53 1.528(2) . ? 
C52 C54 1.528(3) . ? 
C55 C60 1.355(3) . ? 
C55 C56 1.370(4) . ? 
C56 C57 1.381(4) . ? 
C57 C58 1.362(4) . ? 
C58 C59 1.363(3) . ? 
C59 C60 1.372(3) . ? 
C61 C66 1.309(4) . ? 
C61 C62 1.339(4) . ? 
C62 C63 1.413(5) . ? 
C63 C64 1.431(5) . ? 
C64 C65 1.326(4) . ? 
C65 C66 1.275(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 
C1 Ge1 Ge1 92.48(4) . 2_666 ? 
C1 N1 C2 111.23(13) . . ? 
C1 N1 C4 123.73(13) . . ? 
C2 N1 C4 124.32(13) . . ? 
N2 C1 N1 103.71(13) . . ? 
N2 C1 Ge1 127.24(11) . . ? 
N1 C1 Ge1 128.49(11) . . ? 
C28 Ge2 Ge2 92.03(4) . 2_655 ? 
C1 N2 C3 111.34(13) . . ? 
C1 N2 C16 124.42(13) . . ? 
C3 N2 C16 123.83(13) . . ? 
C3 C2 N1 106.85(14) . . ? 
C28 N3 C29 110.94(13) . . ? 
C28 N3 C31 123.50(13) . . ? 
C29 N3 C31 124.92(13) . . ? 
C2 C3 N2 106.87(14) . . ? 
C28 N4 C30 111.33(13) . . ? 
C28 N4 C43 124.55(13) . . ? 
C30 N4 C43 123.88(13) . . ? 
C5 C4 C9 123.25(15) . . ? 
C5 C4 N1 117.69(14) . . ? 
C9 C4 N1 119.06(14) . . ? 
C6 C5 C4 117.21(16) . . ? 
C6 C5 C10 119.99(16) . . ? 
C4 C5 C10 122.80(15) . . ? 
C7 C6 C5 120.87(17) . . ? 
C6 C7 C8 120.70(17) . . ? 
C7 C8 C9 121.08(17) . . ? 
C8 C9 C4 116.86(16) . . ? 
C8 C9 C13 121.21(15) . . ? 
C4 C9 C13 121.91(15) . . ? 
C5 C10 C11 111.48(16) . . ? 
C5 C10 C12 110.99(16) . . ? 
C11 C10 C12 110.89(16) . . ? 
C9 C13 C14 110.23(14) . . ? 
C9 C13 C15 112.96(15) . . ? 
C14 C13 C15 110.18(15) . . ? 
C21 C16 C17 123.31(16) . . ? 
C21 C16 N2 119.06(14) . . ? 
C17 C16 N2 117.60(15) . . ? 
C18 C17 C16 116.66(17) . . ? 
C18 C17 C22 120.35(16) . . ? 
C16 C17 C22 122.99(16) . . ? 
C19 C18 C17 121.49(18) . . ? 
C18 C19 C20 120.34(18) . . ? 
C19 C20 C21 121.06(18) . . ? 
C20 C21 C16 117.12(16) . . ? 
C20 C21 C25 121.34(16) . . ? 
C16 C21 C25 121.49(15) . . ? 
C17 C22 C24 111.65(17) . . ? 
C17 C22 C23 110.99(17) . . ? 
C24 C22 C23 110.83(17) . . ? 
C21 C25 C27 113.64(15) . . ? 
C21 C25 C26 109.34(14) . . ? 
C27 C25 C26 110.40(15) . . ? 
N4 C28 N3 103.80(13) . . ? 
N4 C28 Ge2 127.48(11) . . ? 
N3 C28 Ge2 128.03(11) . . ? 
C30 C29 N3 107.07(14) . . ? 
C29 C30 N4 106.85(14) . . ? 
C32 C31 C36 122.93(15) . . ? 
C32 C31 N3 117.60(14) . . ? 
C36 C31 N3 119.46(14) . . ? 
C33 C32 C31 117.09(15) . . ? 
C33 C32 C37 121.00(16) . . ? 
C31 C32 C37 121.89(15) . . ? 
C34 C33 C32 121.20(17) . . ? 
C33 C34 C35 120.60(16) . . ? 
C34 C35 C36 121.04(16) . . ? 
C35 C36 C31 117.12(16) . . ? 
C35 C36 C40 120.90(15) . . ? 
C31 C36 C40 121.96(15) . . ? 
C38 C37 C39 110.84(18) . . ? 
C38 C37 C32 113.18(16) . . ? 
C39 C37 C32 110.79(16) . . ? 
C36 C40 C42 112.99(15) . . ? 
C36 C40 C41 110.13(15) . . ? 
C42 C40 C41 110.36(15) . . ? 
C48 C43 C44 123.61(15) . . ? 
C48 C43 N4 118.62(14) . . ? 
C44 C43 N4 117.76(14) . . ? 
C45 C44 C43 117.04(16) . . ? 
C45 C44 C49 119.95(16) . . ? 
C43 C44 C49 123.00(15) . . ? 
C46 C45 C44 121.00(17) . . ? 
C47 C46 C45 120.41(17) . . ? 
C46 C47 C48 121.35(17) . . ? 
C43 C48 C47 116.58(15) . . ? 
C43 C48 C52 122.34(15) . . ? 
C47 C48 C52 121.04(16) . . ? 
C50 C49 C44 112.33(16) . . ? 
C50 C49 C51 109.90(18) . . ? 
C44 C49 C51 110.41(16) . . ? 
C48 C52 C53 112.63(15) . . ? 
C48 C52 C54 110.49(14) . . ? 
C53 C52 C54 110.67(15) . . ? 
C60 C55 C56 120.3(2) . . ? 
C55 C56 C57 119.8(2) . . ? 
C58 C57 C56 119.8(2) . . ? 
C57 C58 C59 119.8(2) . . ? 
C58 C59 C60 120.7(2) . . ? 
C55 C60 C59 119.6(2) . . ? 
C66 C61 C62 122.6(3) . . ? 
C61 C62 C63 118.2(3) . . ? 
C62 C63 C64 116.1(3) . . ? 
C65 C64 C63 118.9(3) . . ? 
C66 C65 C64 122.7(3) . . ? 
C65 C66 C61 121.5(3) . . ? 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              30.00 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.585 
_refine_diff_density_min   -0.530 
_refine_diff_density_rms    0.066 
