#------------------------------------------------------------------------------
#$Date: 2021-12-25 01:08:11 +0200 (Sat, 25 Dec 2021) $
#$Revision: 271620 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/94/7129471.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_7129471
loop_
_publ_author_name
'Fan, Jun'
'Quek, Shina'
'Yang, Ming-Chung'
'Zhang, Zheng-Feng'
'Su, Ming-Der'
'So, Cheuk-Wai'
_publ_section_title
;
 Reversible CO2 activation by a N-phosphinoamidinato digermyne
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC05391D
_journal_year                    2022
_chemical_formula_sum            'C64.75 H76 Ge2 N4 P2'
_chemical_formula_weight         1117.41
_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
_audit_update_record
;
2021-09-13 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                102.273(3)
_cell_angle_beta                 98.169(4)
_cell_angle_gamma                89.971(3)
_cell_formula_units_Z            4
_cell_length_a                   12.3583(8)
_cell_length_b                   19.8949(11)
_cell_length_c                   24.9120(16)
_cell_measurement_reflns_used    9519
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      26.0177
_cell_measurement_theta_min      2.1945
_cell_volume                     5921.5(6)
_computing_cell_refinement       'APEX3 v2019.11-0 (Bruker AXS)'
_computing_data_collection       'APEX3 (Ver 2019.11, Bruker AXS Inc., 2020)'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS Inc., 2020)'
_computing_publication_material  'APEX3 (Ver 2019.11, Bruker AXS Inc., 2020)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 7.4074
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Multilayer Mirror'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.1194
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            25276
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.94
_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'
_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2346
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.780
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1242
_refine_ls_number_reflns         25276
_refine_ls_number_restraints     2229
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1420
_refine_ls_R_factor_gt           0.0921
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+78.7994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1906
_refine_ls_wR_factor_ref         0.2150
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17945
_reflns_number_total             25276
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc05391d2.cif
_cod_data_source_block           scw2328m_0m_5
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7129471
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8668(7) 0.1338(4) 0.9028(3) 0.027(2) Uani d U . G 1 . .
C C2 0.8164(7) 0.1966(3) 0.9152(3) 0.031(2) Uani d U . G 1 . .
H H2 0.805988 0.22473 0.88857 0.037 Uiso calc U . R 1 . .
C C3 0.7812(7) 0.2182(3) 0.9665(3) 0.038(2) Uani d U . G 1 . .
H H3 0.746733 0.261036 0.974954 0.045 Uiso calc U . R 1 . .
C C4 0.7964(7) 0.1770(4) 1.0054(3) 0.039(2) Uani d U . G 1 . .
H H4 0.772372 0.191713 1.040465 0.047 Uiso calc U . R 1 . .
C C5 0.8469(7) 0.1142(4) 0.9930(3) 0.040(2) Uani d U . G 1 . .
H H5 0.857264 0.086083 1.019593 0.048 Uiso calc U . R 1 . .
C C6 0.8821(7) 0.0927(3) 0.9417(3) 0.032(2) Uani d U . G 1 . .
H H6 0.91652 0.049776 0.93321 0.039 Uiso calc U . R 1 . .
C C7 0.9875(9) 0.0787(5) 0.8384(4) 0.0186(18) Uani d U . . 1 . .
C C8 1.0864(5) 0.0944(3) 0.8828(3) 0.0212(19) Uani d U . G 1 . .
C C9 1.1098(6) 0.1612(3) 0.9132(3) 0.030(2) Uani d U . G 1 . .
H H9 1.062002 0.197116 0.907101 0.036 Uiso calc U . R 1 . .
C C10 1.2031(6) 0.1755(3) 0.9526(3) 0.042(3) Uani d U . G 1 . .
H H10 1.219038 0.221112 0.973379 0.05 Uiso calc U . R 1 . .
C C11 1.2730(6) 0.1230(4) 0.9616(3) 0.046(3) Uani d U . G 1 . .
H H11 1.336765 0.1327 0.988484 0.056 Uiso calc U . R 1 . .
C C12 1.2497(6) 0.0562(4) 0.9312(4) 0.040(3) Uani d U . G 1 . .
H H12 1.297457 0.02029 0.937311 0.048 Uiso calc U . R 1 . .
C C13 1.1564(6) 0.0419(3) 0.8918(3) 0.030(2) Uani d U . G 1 . .
H H13 1.140422 -0.003707 0.871032 0.036 Uiso calc U . R 1 . .
C C14 0.8376(10) -0.0683(6) 0.7538(5) 0.026(2) Uani d U . . 1 . .
C C15 0.8334(9) -0.0607(6) 0.8160(5) 0.024(2) Uani d U . . 1 . .
H H15A 0.793415 -0.019419 0.8295 0.035 Uiso calc U . R 1 . .
H H15B 0.907967 -0.056523 0.836201 0.035 Uiso calc U . R 1 . .
H H15C 0.795995 -0.101275 0.822099 0.035 Uiso calc U . R 1 . .
C C16 0.9091(12) -0.1276(6) 0.7348(6) 0.035(3) Uani d U . . 1 . .
H H16A 0.883138 -0.168935 0.745157 0.052 Uiso calc U . R 1 . .
H H16B 0.984746 -0.116301 0.752523 0.052 Uiso calc U . R 1 . .
H H16C 0.905795 -0.136001 0.694379 0.052 Uiso calc U . R 1 . .
C C17 0.7221(11) -0.0842(6) 0.7222(6) 0.038(3) Uani d U . . 1 . .
H H17A 0.695266 -0.128348 0.727533 0.057 Uiso calc U . R 1 . .
H H17B 0.723242 -0.086813 0.682567 0.057 Uiso calc U . R 1 . .
H H17C 0.673575 -0.047705 0.73625 0.057 Uiso calc U . R 1 . .
C C18 0.9359(10) 0.0125(6) 0.6753(5) 0.022(2) Uani d U . . 1 . .
C C19 0.9761(13) 0.0857(6) 0.6749(6) 0.034(3) Uani d U . . 1 . .
H H19A 1.049466 0.09464 0.696286 0.052 Uiso calc U . R 1 . .
H H19B 0.925877 0.11935 0.691658 0.052 Uiso calc U . R 1 . .
H H19C 0.978404 0.089736 0.636568 0.052 Uiso calc U . R 1 . .
C C20 0.8370(11) -0.0090(7) 0.6294(6) 0.033(3) Uani d U . . 1 . .
H H20A 0.775855 0.020886 0.637883 0.05 Uiso calc U . R 1 . .
H H20B 0.815088 -0.056891 0.627584 0.05 Uiso calc U . R 1 . .
H H20C 0.85713 -0.004759 0.593604 0.05 Uiso calc U . R 1 . .
C C21 1.0325(10) -0.0356(6) 0.6655(6) 0.029(3) Uani d U . . 1 . .
H H21A 1.061068 -0.029767 0.632012 0.044 Uiso calc U . R 1 . .
H H21B 1.00723 -0.083492 0.660788 0.044 Uiso calc U . R 1 . .
H H21C 1.090357 -0.024153 0.697516 0.044 Uiso calc U . R 1 . .
C C22 0.9849(5) 0.2207(3) 0.7910(3) 0.025(2) Uani d U . G 1 . .
H H22 1.005562 0.174259 0.780797 0.03 Uiso calc U . R 1 . .
C C23 1.0641(4) 0.2722(3) 0.8145(4) 0.029(2) Uani d U . G 1 . .
H H23 1.138895 0.26086 0.820423 0.035 Uiso calc U . R 1 . .
C C24 1.0338(5) 0.3401(3) 0.8293(4) 0.035(2) Uani d U . G 1 . .
H H24 1.087931 0.3753 0.845434 0.042 Uiso calc U . R 1 . .
C C25 0.9243(6) 0.3567(2) 0.8207(4) 0.030(2) Uani d U . G 1 . .
H H25 0.903634 0.403139 0.83082 0.036 Uiso calc U . R 1 . .
C C26 0.8451(4) 0.3052(3) 0.7971(3) 0.025(2) Uani d U . G 1 . .
H H26 0.7703 0.316538 0.791195 0.03 Uiso calc U . R 1 . .
C C27 0.8754(5) 0.2373(3) 0.7823(3) 0.0188(19) Uani d U . G 1 . .
C C28 0.7916(8) 0.1828(5) 0.7552(4) 0.0132(18) Uani d U . . 1 . .
C C29 0.7037(10) 0.1930(6) 0.7164(5) 0.021(2) Uani d U . . 1 . .
C C30 0.7097(6) 0.2485(3) 0.6850(3) 0.0176(18) Uani d U . G 1 . .
C C31 0.6259(5) 0.2951(4) 0.6840(3) 0.023(2) Uani d U . G 1 . .
H H31 0.564314 0.290148 0.701897 0.028 Uiso calc U . R 1 . .
C C32 0.6321(5) 0.3489(3) 0.6568(3) 0.023(2) Uani d U . G 1 . .
H H32 0.574873 0.380677 0.656141 0.028 Uiso calc U . R 1 . .
C C33 0.7222(6) 0.3561(3) 0.6306(3) 0.024(2) Uani d U . G 1 . .
H H33 0.726496 0.392844 0.612036 0.029 Uiso calc U . R 1 . .
C C34 0.8060(5) 0.3095(4) 0.6316(3) 0.026(2) Uani d U . G 1 . .
H H34 0.867561 0.314481 0.613688 0.031 Uiso calc U . R 1 . .
C C35 0.7997(5) 0.2558(3) 0.6588(3) 0.024(2) Uani d U . G 1 . .
H H35 0.857004 0.223951 0.659445 0.029 Uiso calc U . R 1 . .
C C36 0.4758(7) 0.1373(4) 0.5852(2) 0.026(2) Uani d U . G 1 . .
C C37 0.5591(6) 0.1585(4) 0.5598(3) 0.039(3) Uani d U . G 1 . .
H H37 0.615196 0.189629 0.581102 0.047 Uiso calc U . R 1 . .
C C38 0.5603(7) 0.1340(5) 0.5033(3) 0.050(3) Uani d U . G 1 . .
H H38 0.617177 0.148421 0.486009 0.06 Uiso calc U . R 1 . .
C C39 0.4782(8) 0.0884(5) 0.4722(3) 0.041(3) Uani d U . G 1 . .
H H39 0.479006 0.071636 0.433587 0.049 Uiso calc U . R 1 . .
C C40 0.3949(7) 0.0672(4) 0.4975(3) 0.035(3) Uani d U . G 1 . .
H H40 0.338853 0.036057 0.47626 0.042 Uiso calc U . R 1 . .
C C41 0.3938(6) 0.0917(4) 0.5540(3) 0.029(2) Uani d U . G 1 . .
H H41 0.33687 0.077264 0.571354 0.034 Uiso calc U . R 1 . .
C C42 0.3889(9) 0.1900(5) 0.6648(5) 0.0157(18) Uani d U . . 1 . .
C C43 0.3059(5) 0.2241(4) 0.6306(3) 0.022(2) Uani d U . G 1 . .
C C44 0.1966(6) 0.2154(4) 0.6358(3) 0.024(2) Uani d U . G 1 . .
H H44 0.176734 0.187424 0.659584 0.029 Uiso calc U . R 1 . .
C C45 0.1162(5) 0.2477(4) 0.6063(4) 0.033(2) Uani d U . G 1 . .
H H45 0.041523 0.241777 0.609856 0.039 Uiso calc U . R 1 . .
C C46 0.1452(6) 0.2886(4) 0.5715(3) 0.036(3) Uani d U . G 1 . .
H H46 0.090347 0.310711 0.551287 0.043 Uiso calc U . R 1 . .
C C47 0.2546(7) 0.2973(4) 0.5662(3) 0.032(2) Uani d U . G 1 . .
H H47 0.274381 0.325292 0.542445 0.039 Uiso calc U . R 1 . .
C C48 0.3349(5) 0.2650(4) 0.5958(3) 0.027(2) Uani d U . G 1 . .
H H48 0.409594 0.27094 0.592173 0.032 Uiso calc U . R 1 . .
C C49 0.3702(10) 0.0692(6) 0.7501(5) 0.026(2) Uani d U . . 1 . .
C C50 0.3309(11) 0.0396(6) 0.6885(6) 0.029(3) Uani d U . . 1 . .
H H50A 0.290906 -0.004159 0.684337 0.044 Uiso calc U . R 1 . .
H H50B 0.394047 0.031918 0.668463 0.044 Uiso calc U . R 1 . .
H H50C 0.282465 0.072137 0.67325 0.044 Uiso calc U . R 1 . .
C C51 0.2719(10) 0.0836(6) 0.7823(5) 0.026(2) Uani d U . . 1 . .
H H51A 0.218002 0.045386 0.769419 0.039 Uiso calc U . R 1 . .
H H51B 0.238346 0.126344 0.775971 0.039 Uiso calc U . R 1 . .
H H51C 0.297057 0.088082 0.822104 0.039 Uiso calc U . R 1 . .
C C52 0.4455(11) 0.0140(6) 0.7713(6) 0.030(3) Uani d U . . 1 . .
H H52A 0.482138 0.033268 0.808952 0.045 Uiso calc U . R 1 . .
H H52B 0.500485 0.000765 0.74652 0.045 Uiso calc U . R 1 . .
H H52C 0.400974 -0.026684 0.771511 0.045 Uiso calc U . R 1 . .
C C53 0.4747(9) 0.2028(6) 0.8261(5) 0.024(2) Uani d U . . 1 . .
C C54 0.5597(9) 0.2586(6) 0.8255(5) 0.025(2) Uani d U . . 1 . .
H H54A 0.564698 0.293872 0.859883 0.038 Uiso calc U . R 1 . .
H H54B 0.537639 0.279791 0.793631 0.038 Uiso calc U . R 1 . .
H H54C 0.631153 0.237908 0.8224 0.038 Uiso calc U . R 1 . .
C C55 0.5198(10) 0.1611(6) 0.8680(5) 0.027(2) Uani d U . . 1 . .
H H55A 0.575415 0.130421 0.852969 0.041 Uiso calc U . R 1 . .
H H55B 0.460371 0.133559 0.875739 0.041 Uiso calc U . R 1 . .
H H55C 0.552755 0.192155 0.902462 0.041 Uiso calc U . R 1 . .
C C56 0.3714(10) 0.2401(7) 0.8408(6) 0.032(3) Uani d U . . 1 . .
H H56A 0.388974 0.274158 0.875702 0.048 Uiso calc U . R 1 . .
H H56B 0.316528 0.206678 0.844881 0.048 Uiso calc U . R 1 . .
H H56C 0.342234 0.263333 0.811067 0.048 Uiso calc U . R 1 . .
C C57 0.4339(7) 0.3588(4) 0.4165(2) 0.024(2) Uani d U . G 1 . .
C C58 0.3692(6) 0.4048(4) 0.4471(3) 0.026(2) Uani d U . G 1 . .
H H58 0.302627 0.419082 0.429344 0.032 Uiso calc U . R 1 . .
C C59 0.4020(7) 0.4300(4) 0.5035(3) 0.032(2) Uani d U . G 1 . .
H H59 0.357759 0.461391 0.524406 0.039 Uiso calc U . R 1 . .
C C60 0.4994(7) 0.4091(5) 0.5294(3) 0.038(3) Uani d U . G 1 . .
H H60 0.521812 0.426265 0.56804 0.045 Uiso calc U . R 1 . .
C C61 0.5641(6) 0.3631(5) 0.4989(3) 0.046(3) Uani d U . G 1 . .
H H61 0.630733 0.34883 0.516613 0.055 Uiso calc U . R 1 . .
C C62 0.5314(6) 0.3380(4) 0.4424(3) 0.037(3) Uani d U . G 1 . .
H H62 0.575603 0.306521 0.421551 0.045 Uiso calc U . R 1 . .
C C63 0.3044(9) 0.3035(5) 0.3361(5) 0.0205(19) Uani d U . . 1 . .
C C64 0.2405(6) 0.2729(4) 0.3723(3) 0.0216(19) Uani d U . G 1 . .
C C65 0.1281(6) 0.2814(4) 0.3661(3) 0.028(2) Uani d U . G 1 . .
H H65 0.09544 0.308946 0.341743 0.034 Uiso calc U . R 1 . .
C C66 0.0636(5) 0.2496(4) 0.3953(4) 0.036(3) Uani d U . G 1 . .
H H66 -0.013256 0.255381 0.391047 0.043 Uiso calc U . R 1 . .
C C67 0.1114(7) 0.2092(4) 0.4309(3) 0.037(3) Uani d U . G 1 . .
H H67 0.067272 0.187473 0.45094 0.045 Uiso calc U . R 1 . .
C C68 0.2238(7) 0.2007(4) 0.4372(3) 0.035(2) Uani d U . G 1 . .
H H68 0.256496 0.173128 0.461529 0.042 Uiso calc U . R 1 . .
C C69 0.2884(5) 0.2325(4) 0.4079(3) 0.029(2) Uani d U . G 1 . .
H H69 0.365193 0.226692 0.412225 0.034 Uiso calc U . R 1 . .
C C70 0.2322(9) 0.4215(5) 0.2513(5) 0.020(2) Uani d U . . 1 . .
C C71 0.2264(10) 0.4509(6) 0.3142(5) 0.027(3) Uani d U . . 1 . .
H H71A 0.299012 0.468489 0.333209 0.04 Uiso calc U . R 1 . .
H H71B 0.201996 0.414252 0.330939 0.04 Uiso calc U . R 1 . .
H H71C 0.174591 0.48833 0.318 0.04 Uiso calc U . R 1 . .
C C72 0.1112(8) 0.4038(5) 0.2225(4) 0.018(2) Uani d U . . 1 . .
H H72A 0.065047 0.442659 0.2343 0.027 Uiso calc U . R 1 . .
H H72B 0.08436 0.362853 0.233164 0.027 Uiso calc U . R 1 . .
H H72C 0.108612 0.394726 0.182109 0.027 Uiso calc U . R 1 . .
C C73 0.2824(11) 0.4760(6) 0.2274(6) 0.034(3) Uani d U . . 1 . .
H H73A 0.246376 0.519701 0.238153 0.051 Uiso calc U . R 1 . .
H H73B 0.272649 0.46171 0.186842 0.051 Uiso calc U . R 1 . .
H H73C 0.360598 0.4818 0.241811 0.051 Uiso calc U . R 1 . .
C C74 0.3022(9) 0.2879(5) 0.1758(5) 0.018(2) Uani d U . . 1 . .
C C75 0.1863(9) 0.2533(6) 0.1600(5) 0.023(2) Uani d U . . 1 . .
H H75A 0.132362 0.287955 0.153546 0.034 Uiso calc U . R 1 . .
H H75B 0.169099 0.232739 0.190317 0.034 Uiso calc U . R 1 . .
H H75C 0.184097 0.217402 0.12613 0.034 Uiso calc U . R 1 . .
C C76 0.3212(9) 0.3307(6) 0.1325(5) 0.023(2) Uani d U . . 1 . .
H H76A 0.323925 0.299616 0.096518 0.035 Uiso calc U . R 1 . .
H H76B 0.390613 0.356977 0.144732 0.035 Uiso calc U . R 1 . .
H H76C 0.261238 0.362366 0.128997 0.035 Uiso calc U . R 1 . .
C C77 0.3872(10) 0.2327(5) 0.1767(5) 0.025(2) Uani d U . . 1 . .
H H77A 0.381482 0.202214 0.139894 0.037 Uiso calc U . R 1 . .
H H77B 0.374322 0.205832 0.20408 0.037 Uiso calc U . R 1 . .
H H77C 0.460456 0.254467 0.186849 0.037 Uiso calc U . R 1 . .
C C78 0.5291(4) 0.2006(4) 0.3182(3) 0.022(2) Uani d U . G 1 . .
H H78 0.457 0.205227 0.300498 0.027 Uiso calc U . R 1 . .
C C79 0.5518(5) 0.1475(3) 0.3460(3) 0.025(2) Uani d U . G 1 . .
H H79 0.495238 0.115821 0.347365 0.03 Uiso calc U . R 1 . .
C C80 0.6573(6) 0.1407(3) 0.3719(3) 0.027(2) Uani d U . G 1 . .
H H80 0.672834 0.104393 0.390967 0.033 Uiso calc U . R 1 . .
C C81 0.7401(5) 0.1870(4) 0.3700(3) 0.027(2) Uani d U . G 1 . .
H H81 0.812193 0.182371 0.387702 0.033 Uiso calc U . R 1 . .
C C82 0.7174(5) 0.2401(3) 0.3422(3) 0.023(2) Uani d U . G 1 . .
H H82 0.773956 0.271777 0.340835 0.027 Uiso calc U . R 1 . .
C C83 0.6119(5) 0.2469(3) 0.3163(3) 0.0199(19) Uani d U . G 1 . .
C C84 0.5905(9) 0.3047(5) 0.2863(5) 0.019(2) Uani d U . . 1 . .
C C85 0.6440(9) 0.3123(5) 0.2443(5) 0.027(2) Uani d U . D 1 . .
C C86 0.7254(5) 0.2586(3) 0.2196(3) 0.0203(19) Uani d U . DG 1 . .
C C87 0.6847(4) 0.1912(3) 0.2019(3) 0.022(2) Uani d U . G 1 . .
H H87 0.614481 0.179401 0.209066 0.027 Uiso calc U . R 1 . .
C C88 0.7468(6) 0.1410(3) 0.1737(3) 0.029(2) Uani d U . G 1 . .
H H88 0.71899 0.094937 0.161634 0.035 Uiso calc U . R 1 . .
C C89 0.8496(6) 0.1582(3) 0.1633(3) 0.031(2) Uani d U . G 1 . .
H H89 0.892034 0.123944 0.143995 0.037 Uiso calc U . R 1 . .
C C90 0.8903(5) 0.2256(4) 0.1810(3) 0.028(2) Uani d U . G 1 . .
H H90 0.960571 0.237416 0.173789 0.034 Uiso calc U . R 1 . .
C C91 0.8282(5) 0.2758(3) 0.2091(3) 0.020(2) Uani d U . G 1 . .
H H91 0.856063 0.321882 0.221222 0.024 Uiso calc U . R 1 . .
C C92 0.6518(6) 0.3592(3) 0.1009(2) 0.0223(19) Uani d U . G 1 . .
C C93 0.6377(6) 0.3984(3) 0.0606(3) 0.031(2) Uani d U . G 1 . .
H H93 0.672496 0.442555 0.067603 0.037 Uiso calc U . R 1 . .
C C94 0.5725(7) 0.3729(4) 0.0100(3) 0.033(2) Uani d U . G 1 . .
H H94 0.562878 0.39974 -0.017533 0.04 Uiso calc U . R 1 . .
C C95 0.5216(6) 0.3083(4) -0.0002(3) 0.036(2) Uani d U . G 1 . .
H H95 0.477052 0.290901 -0.034773 0.043 Uiso calc U . R 1 . .
C C96 0.5357(6) 0.2691(3) 0.0401(3) 0.034(2) Uani d U . G 1 . .
H H96 0.500844 0.224878 0.033123 0.041 Uiso calc U . R 1 . .
C C97 0.6008(6) 0.2945(3) 0.0907(3) 0.027(2) Uani d U . G 1 . .
H H97 0.610462 0.267693 0.11826 0.032 Uiso calc U . R 1 . .
C C98 0.8076(8) 0.4204(5) 0.1644(5) 0.0169(18) Uani d U . . 1 . .
C C99 0.8839(5) 0.4080(3) 0.1227(3) 0.0221(19) Uani d U . G 1 . .
C C100 0.9543(6) 0.4616(3) 0.1205(3) 0.027(2) Uani d U . G 1 . .
H H100 0.947812 0.506111 0.142723 0.033 Uiso calc U . R 1 . .
C C101 1.0341(6) 0.4499(3) 0.0857(3) 0.035(2) Uani d U . G 1 . .
H H101 1.082117 0.486519 0.084228 0.042 Uiso calc U . R 1 . .
C C102 1.0435(6) 0.3848(4) 0.0532(3) 0.036(2) Uani d U . G 1 . .
H H102 1.098031 0.376803 0.029438 0.043 Uiso calc U . R 1 . .
C C103 0.9732(6) 0.3312(3) 0.0554(3) 0.031(2) Uani d U . G 1 . .
H H103 0.979639 0.286677 0.033142 0.037 Uiso calc U . R 1 . .
C C104 0.8934(5) 0.3429(3) 0.0901(3) 0.025(2) Uani d U . G 1 . .
H H104 0.845333 0.306267 0.091636 0.03 Uiso calc U . R 1 . .
C C105 0.6975(10) 0.5667(6) 0.2483(5) 0.022(2) Uani d U . . 1 . .
C C106 0.6641(11) 0.5607(6) 0.1857(5) 0.029(3) Uani d U . . 1 . .
H H10A 0.632663 0.603951 0.179065 0.044 Uiso calc U . R 1 . .
H H10B 0.609724 0.523043 0.171277 0.044 Uiso calc U . R 1 . .
H H10C 0.728625 0.551324 0.166855 0.044 Uiso calc U . R 1 . .
C C107 0.7792(12) 0.6284(6) 0.2704(6) 0.032(3) Uani d U . . 1 . .
H H10D 0.746016 0.670013 0.261251 0.048 Uiso calc U . R 1 . .
H H10E 0.845811 0.619311 0.253287 0.048 Uiso calc U . R 1 . .
H H10F 0.797496 0.634892 0.310821 0.048 Uiso calc U . R 1 . .
C C108 0.5938(11) 0.5784(7) 0.2768(5) 0.031(3) Uani d U . . 1 . .
H H10G 0.614416 0.585411 0.317071 0.047 Uiso calc U . R 1 . .
H H10H 0.544163 0.538016 0.263487 0.047 Uiso calc U . R 1 . .
H H10I 0.557029 0.619103 0.267795 0.047 Uiso calc U . R 1 . .
C C109 0.8382(10) 0.4861(6) 0.3260(5) 0.023(2) Uani d U . . 1 . .
C C110 0.9398(10) 0.5336(6) 0.3354(5) 0.028(3) Uani d U . . 1 . .
H H11A 0.918772 0.581585 0.345953 0.042 Uiso calc U . R 1 . .
H H11B 0.972547 0.526957 0.301188 0.042 Uiso calc U . R 1 . .
H H11C 0.992937 0.522605 0.365234 0.042 Uiso calc U . R 1 . .
C C111 0.7664(11) 0.5107(7) 0.3727(6) 0.032(3) Uani d U . . 1 . .
H H11D 0.807544 0.507395 0.408627 0.048 Uiso calc U . R 1 . .
H H11E 0.699713 0.48156 0.365301 0.048 Uiso calc U . R 1 . .
H H11F 0.746696 0.558576 0.373459 0.048 Uiso calc U . R 1 . .
C C112 0.8769(10) 0.4147(6) 0.3277(5) 0.025(3) Uani d U . . 1 . .
H H11G 0.925124 0.400513 0.299641 0.038 Uiso calc U . R 1 . .
H H11H 0.813675 0.382653 0.320126 0.038 Uiso calc U . R 1 . .
H H11I 0.916981 0.414607 0.364603 0.038 Uiso calc U . R 1 . .
C C113 0.2423(15) 0.4242(8) -0.0407(6) 0.077(5) Uani d U . D 1 . .
H H11J 0.195172 0.387144 -0.035521 0.115 Uiso calc U . R 1 . .
H H11K 0.310309 0.404914 -0.052425 0.115 Uiso calc U . R 1 . .
H H11L 0.204439 0.446453 -0.069262 0.115 Uiso calc U . R 1 . .
C C114 0.2679(7) 0.4756(4) 0.0124(3) 0.045(3) Uani d U . DG 1 . .
C C115 0.2151(6) 0.5378(4) 0.0215(3) 0.048(3) Uani d U . DG 1 . .
H H115 0.162169 0.548546 -0.006748 0.058 Uiso calc U . R 1 . .
C C116 0.2397(7) 0.5844(3) 0.0721(4) 0.052(3) Uani d U . DG 1 . .
H H116 0.203595 0.626899 0.078372 0.062 Uiso calc U . R 1 . .
C C117 0.3171(8) 0.5687(4) 0.1135(3) 0.057(3) Uani d U . DG 1 . .
H H117 0.333933 0.6005 0.14805 0.068 Uiso calc U . R 1 . .
C C118 0.3699(7) 0.5065(5) 0.1043(3) 0.054(3) Uani d U . DG 1 . .
H H118 0.422845 0.495748 0.132608 0.065 Uiso calc U . R 1 . .
C C119 0.3453(7) 0.4599(4) 0.0538(4) 0.050(3) Uani d U . DG 1 . .
H H119 0.38142 0.417394 0.047488 0.06 Uiso calc U . R 1 . .
N N1 0.8934(7) 0.1099(4) 0.8478(4) 0.0179(17) Uani d U . . 1 . .
N N2 1.0010(8) 0.0363(5) 0.7912(4) 0.0188(18) Uani d U . . 1 . .
N N3 0.4767(8) 0.1596(5) 0.6437(4) 0.0191(18) Uani d U . . 1 . .
N N4 0.3736(8) 0.1948(4) 0.7168(4) 0.0187(18) Uani d U . . 1 . .
N N5 0.4041(8) 0.3351(5) 0.3581(4) 0.0190(17) Uani d U . . 1 . .
N N6 0.2571(8) 0.2955(4) 0.2842(4) 0.0192(18) Uani d U . . 1 . .
N N7 0.7080(7) 0.3875(4) 0.1556(4) 0.0172(16) Uani d U . . 1 . .
N N8 0.8453(7) 0.4628(4) 0.2119(4) 0.0176(18) Uani d U . . 1 . .
C C120 -0.098(2) 0.3847(10) 0.4914(14) 0.061(8) Uani d U P D 0.5 A -1
H H12A -0.141321 0.370555 0.454502 0.091 Uiso calc U P R 0.5 A -1
H H12B -0.147111 0.390909 0.519707 0.091 Uiso calc U P R 0.5 A -1
H H12C -0.045793 0.349172 0.497603 0.091 Uiso calc U P R 0.5 A -1
C C121 -0.0384(16) 0.4504(7) 0.4952(9) 0.047(6) Uani d U P DG 0.5 A -1
C C122 0.0618(16) 0.4527(7) 0.4762(9) 0.036(5) Uani d U P DG 0.5 A -1
H H122 0.094552 0.411233 0.460806 0.043 Uiso calc U P R 0.5 A -1
C C123 0.1139(15) 0.5158(9) 0.4798(9) 0.056(7) Uani d U P DG 0.5 A -1
H H123 0.18228 0.517329 0.466792 0.067 Uiso calc U P R 0.5 A -1
C C124 0.0659(19) 0.5765(7) 0.5023(10) 0.044(6) Uani d U P DG 0.5 A -1
H H124 0.101488 0.619548 0.504752 0.053 Uiso calc U P R 0.5 A -1
C C125 -0.0342(19) 0.5742(7) 0.5213(10) 0.058(7) Uani d U P DG 0.5 A -1
H H125 -0.067034 0.615671 0.536726 0.07 Uiso calc U P R 0.5 A -1
C C126 -0.0863(15) 0.5111(9) 0.5178(10) 0.052(7) Uani d U P DG 0.5 A -1
H H126 -0.154765 0.509576 0.53074 0.062 Uiso calc U P R 0.5 A -1
C C134 0.453(3) 1.0290(16) 1.0722(11) 0.074(9) Uani d U P D 0.5 B -1
H H13A 0.491344 1.001469 1.097007 0.11 Uiso calc U P R 0.5 B -1
H H13B 0.374262 1.022483 1.070083 0.11 Uiso calc U P R 0.5 B -1
H H13C 0.474009 1.077709 1.086738 0.11 Uiso calc U P R 0.5 B -1
C C135 0.485(2) 1.0067(10) 1.0161(8) 0.062(7) Uani d U P DG 0.5 B -1
C C136 0.5511(18) 1.0474(8) 0.9944(9) 0.041(5) Uani d U P DG 0.5 B -1
H H136 0.574248 1.092299 1.014826 0.049 Uiso calc U P R 0.5 B -1
C C137 0.5835(19) 1.0226(11) 0.9428(9) 0.072(7) Uani d U P DG 0.5 B -1
H H137 0.628694 1.050462 0.927964 0.086 Uiso calc U P R 0.5 B -1
C C138 0.550(2) 0.9570(12) 0.9129(8) 0.073(9) Uani d U P DG 0.5 B -1
H H138 0.57177 0.939991 0.877666 0.088 Uiso calc U P R 0.5 B -1
C C139 0.484(2) 0.9162(9) 0.9347(9) 0.064(7) Uani d U P DG 0.5 B -1
H H139 0.4604 0.871356 0.91423 0.077 Uiso calc U P R 0.5 B -1
C C140 0.4512(19) 0.9411(10) 0.9862(9) 0.055(6) Uani d U P DG 0.5 B -1
H H140 0.405953 0.913192 1.001092 0.066 Uiso calc U P R 0.5 B -1
C C141 0.881(2) 0.1390(12) 0.5142(15) 0.074(9) Uani d U P D 0.5 C -1
H H14A 0.883239 0.155198 0.55434 0.111 Uiso calc U P R 0.5 C -1
H H14B 0.805266 0.134 0.495991 0.111 Uiso calc U P R 0.5 C -1
H H14C 0.920625 0.172506 0.499727 0.111 Uiso calc U P R 0.5 C -1
C C142 0.9343(16) 0.0718(9) 0.5030(10) 0.052(7) Uani d U P DG 0.5 C -1
C C143 1.0444(15) 0.0645(11) 0.5213(10) 0.050(6) Uani d U P DG 0.5 C -1
H H143 1.089872 0.10403 0.537918 0.059 Uiso calc U P R 0.5 C -1
C C144 1.0878(14) -0.0007(13) 0.5154(11) 0.061(7) Uani d U P DG 0.5 C -1
H H144 1.163078 -0.005681 0.527914 0.073 Uiso calc U P R 0.5 C -1
C C145 1.0212(18) -0.0586(10) 0.4911(11) 0.058(7) Uani d U P DG 0.5 C -1
H H145 1.050968 -0.103095 0.487024 0.069 Uiso calc U P R 0.5 C -1
C C146 0.9112(17) -0.0513(10) 0.4727(10) 0.056(7) Uani d U P DG 0.5 C -1
H H146 0.865651 -0.0908 0.456137 0.067 Uiso calc U P R 0.5 C -1
C C147 0.8677(13) 0.0139(11) 0.4787(10) 0.052(7) Uani d U P DG 0.5 C -1
H H147 0.792443 0.018911 0.46614 0.063 Uiso calc U P R 0.5 C -1
Ge Ge1 0.76548(10) 0.09822(6) 0.78665(5) 0.0180(3) Uani d . . . 1 . .
Ge Ge2 0.58732(10) 0.11450(6) 0.69106(5) 0.0184(3) Uani d . . . 1 . .
Ge Ge3 0.48736(10) 0.38081(6) 0.30975(5) 0.0191(3) Uani d . . . 1 . .
Ge Ge4 0.61202(9) 0.39764(6) 0.21467(5) 0.0172(3) Uani d . . . 1 . .
P P1 0.8902(2) 0.01635(14) 0.74499(13) 0.0181(6) Uani d . . . 1 . .
P P2 0.4531(2) 0.14856(15) 0.75392(13) 0.0188(6) Uani d . . . 1 . .
P P3 0.3178(2) 0.34360(14) 0.24769(13) 0.0188(6) Uani d . . . 1 . .
P P4 0.7557(2) 0.48202(13) 0.25743(13) 0.0176(6) Uani d . . . 1 . .
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'
N N 0.0061 0.0033 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 120.0 ?
C2 C1 N1 . . 118.8(6) ?
C6 C1 N1 . . 120.9(6) ?
C3 C2 C1 . . 120.0 ?
C2 C3 C4 . . 120.0 ?
C5 C4 C3 . . 120.0 ?
C4 C5 C6 . . 120.0 ?
C5 C6 C1 . . 120.0 ?
N2 C7 N1 . . 124.0(10) ?
N2 C7 C8 . . 116.9(9) ?
N1 C7 C8 . . 119.1(9) ?
C9 C8 C13 . . 120.0 ?
C9 C8 C7 . . 120.5(6) ?
C13 C8 C7 . . 119.4(6) ?
C10 C9 C8 . . 120.0 ?
C9 C10 C11 . . 120.0 ?
C10 C11 C12 . . 120.0 ?
C13 C12 C11 . . 120.0 ?
C12 C13 C8 . . 120.0 ?
C16 C14 C17 . . 108.8(11) ?
C16 C14 C15 . . 109.0(10) ?
C17 C14 C15 . . 108.8(10) ?
C16 C14 P1 . . 113.4(9) ?
C17 C14 P1 . . 110.3(9) ?
C15 C14 P1 . . 106.4(8) ?
C19 C18 C20 . . 109.4(11) ?
C19 C18 C21 . . 107.3(10) ?
C20 C18 C21 . . 111.5(10) ?
C19 C18 P1 . . 107.0(8) ?
C20 C18 P1 . . 108.9(8) ?
C21 C18 P1 . . 112.8(9) ?
C23 C22 C27 . . 120.0 ?
C24 C23 C22 . . 120.0 ?
C23 C24 C25 . . 120.0 ?
C26 C25 C24 . . 120.0 ?
C27 C26 C25 . . 120.0 ?
C26 C27 C22 . . 120.0 ?
C26 C27 C28 . . 120.0(6) ?
C22 C27 C28 . . 120.0(6) ?
C29 C28 C27 . . 122.9(9) ?
C29 C28 Ge1 . . 111.6(7) ?
C27 C28 Ge1 . . 123.1(7) ?
C28 C29 C30 . . 120.3(9) ?
C28 C29 Ge2 . . 116.3(8) ?
C30 C29 Ge2 . . 121.5(7) ?
C31 C30 C35 . . 120.0 ?
C31 C30 C29 . . 119.2(6) ?
C35 C30 C29 . . 120.8(6) ?
C30 C31 C32 . . 120.0 ?
C33 C32 C31 . . 120.0 ?
C34 C33 C32 . . 120.0 ?
C33 C34 C35 . . 120.0 ?
C34 C35 C30 . . 120.0 ?
C37 C36 C41 . . 120.0 ?
C37 C36 N3 . . 120.4(6) ?
C41 C36 N3 . . 119.5(6) ?
C36 C37 C38 . . 120.0 ?
C39 C38 C37 . . 120.0 ?
C38 C39 C40 . . 120.0 ?
C41 C40 C39 . . 120.0 ?
C40 C41 C36 . . 120.0 ?
N4 C42 N3 . . 123.1(10) ?
N4 C42 C43 . . 115.6(9) ?
N3 C42 C43 . . 121.2(9) ?
C44 C43 C48 . . 120.0 ?
C44 C43 C42 . . 117.6(6) ?
C48 C43 C42 . . 122.4(6) ?
C45 C44 C43 . . 120.0 ?
C46 C45 C44 . . 120.0 ?
C45 C46 C47 . . 120.0 ?
C48 C47 C46 . . 120.0 ?
C47 C48 C43 . . 120.0 ?
C50 C49 C51 . . 110.5(10) ?
C50 C49 C52 . . 106.1(10) ?
C51 C49 C52 . . 111.4(10) ?
C50 C49 P2 . . 106.6(8) ?
C51 C49 P2 . . 112.4(8) ?
C52 C49 P2 . . 109.5(8) ?
C55 C53 C56 . . 112.6(10) ?
C55 C53 C54 . . 109.1(9) ?
C56 C53 C54 . . 106.5(9) ?
C55 C53 P2 . . 111.2(8) ?
C56 C53 P2 . . 111.7(8) ?
C54 C53 P2 . . 105.3(8) ?
C58 C57 C62 . . 120.0 ?
C58 C57 N5 . . 120.7(6) ?
C62 C57 N5 . . 119.3(6) ?
C57 C58 C59 . . 120.0 ?
C60 C59 C58 . . 120.0 ?
C61 C60 C59 . . 120.0 ?
C60 C61 C62 . . 120.0 ?
C61 C62 C57 . . 120.0 ?
N6 C63 N5 . . 126.1(11) ?
N6 C63 C64 . . 114.4(10) ?
N5 C63 C64 . . 119.5(10) ?
C65 C64 C69 . . 120.0 ?
C65 C64 C63 . . 117.5(6) ?
C69 C64 C63 . . 122.3(6) ?
C66 C65 C64 . . 120.0 ?
C65 C66 C67 . . 120.0 ?
C68 C67 C66 . . 120.0 ?
C69 C68 C67 . . 120.0 ?
C68 C69 C64 . . 120.0 ?
C73 C70 C71 . . 109.1(10) ?
C73 C70 C72 . . 110.4(9) ?
C71 C70 C72 . . 106.3(9) ?
C73 C70 P3 . . 111.7(8) ?
C71 C70 P3 . . 106.5(7) ?
C72 C70 P3 . . 112.5(7) ?
C77 C74 C76 . . 110.0(9) ?
C77 C74 C75 . . 109.3(8) ?
C76 C74 C75 . . 109.2(9) ?
C77 C74 P3 . . 106.8(8) ?
C76 C74 P3 . . 111.0(7) ?
C75 C74 P3 . . 110.4(8) ?
C79 C78 C83 . . 120.0 ?
C78 C79 C80 . . 120.0 ?
C81 C80 C79 . . 120.0 ?
C80 C81 C82 . . 120.0 ?
C83 C82 C81 . . 120.0 ?
C82 C83 C78 . . 120.0 ?
C82 C83 C84 . . 118.6(6) ?
C78 C83 C84 . . 121.4(6) ?
C85 C84 C83 . . 122.6(9) ?
C85 C84 Ge3 . . 114.9(8) ?
C83 C84 Ge3 . . 122.3(8) ?
C84 C85 C86 . . 122.7(9) ?
C84 C85 Ge4 . . 115.8(7) ?
C86 C85 Ge4 . . 121.4(7) ?
C87 C86 C91 . . 120.0 ?
C87 C86 C85 . . 115.8(6) ?
C91 C86 C85 . . 123.8(6) ?
C86 C87 C88 . . 120.0 ?
C87 C88 C89 . . 120.0 ?
C90 C89 C88 . . 120.0 ?
C91 C90 C89 . . 120.0 ?
C90 C91 C86 . . 120.0 ?
C93 C92 C97 . . 120.0 ?
C93 C92 N7 . . 120.8(5) ?
C97 C92 N7 . . 118.8(5) ?
C92 C93 C94 . . 120.0 ?
C95 C94 C93 . . 120.0 ?
C94 C95 C96 . . 120.0 ?
C95 C96 C97 . . 120.0 ?
C96 C97 C92 . . 120.0 ?
N8 C98 N7 . . 122.3(10) ?
N8 C98 C99 . . 115.3(8) ?
N7 C98 C99 . . 122.3(9) ?
C100 C99 C104 . . 120.0 ?
C100 C99 C98 . . 118.5(6) ?
C104 C99 C98 . . 121.2(6) ?
C99 C100 C101 . . 120.0 ?
C102 C101 C100 . . 120.0 ?
C103 C102 C101 . . 120.0 ?
C102 C103 C104 . . 120.0 ?
C103 C104 C99 . . 120.0 ?
C106 C105 C107 . . 108.4(10) ?
C106 C105 C108 . . 108.5(10) ?
C107 C105 C108 . . 110.4(10) ?
C106 C105 P4 . . 106.8(8) ?
C107 C105 P4 . . 113.8(8) ?
C108 C105 P4 . . 108.8(8) ?
C112 C109 C110 . . 107.5(10) ?
C112 C109 C111 . . 109.8(10) ?
C110 C109 C111 . . 110.0(10) ?
C112 C109 P4 . . 107.5(9) ?
C110 C109 P4 . . 112.3(9) ?
C111 C109 P4 . . 109.7(9) ?
C115 C114 C119 . . 120.0 ?
C115 C114 C113 . . 121.5(9) ?
C119 C114 C113 . . 118.5(9) ?
C114 C115 C116 . . 120.0 ?
C115 C116 C117 . . 120.0 ?
C118 C117 C116 . . 120.0 ?
C117 C118 C119 . . 120.0 ?
C118 C119 C114 . . 120.0 ?
C7 N1 C1 . . 122.3(9) ?
C7 N1 Ge1 . . 120.0(7) ?
C1 N1 Ge1 . . 115.0(6) ?
C7 N2 P1 . . 115.9(8) ?
C42 N3 C36 . . 121.3(9) ?
C42 N3 Ge2 . . 120.2(8) ?
C36 N3 Ge2 . . 115.0(7) ?
C42 N4 P2 . . 117.2(8) ?
C63 N5 C57 . . 121.3(9) ?
C63 N5 Ge3 . . 119.4(8) ?
C57 N5 Ge3 . . 115.6(7) ?
C63 N6 P3 . . 113.2(8) ?
C98 N7 C92 . . 122.4(9) ?
C98 N7 Ge4 . . 122.0(7) ?
C92 N7 Ge4 . . 113.5(6) ?
C98 N8 P4 . . 115.5(7) ?
C122 C121 C126 . . 120.0 ?
C122 C121 C120 . . 122.1(11) ?
C126 C121 C120 . . 117.9(11) ?
C123 C122 C121 . . 120.0 ?
C122 C123 C124 . . 120.0 ?
C125 C124 C123 . . 120.0 ?
C124 C125 C126 . . 120.0 ?
C125 C126 C121 . . 120.0 ?
C136 C135 C140 . . 120.0 ?
C136 C135 C134 . . 122.2(12) ?
C140 C135 C134 . . 117.7(11) ?
C137 C136 C135 . . 120.0 ?
C138 C137 C136 . . 120.0 ?
C139 C138 C137 . . 120.0 ?
C138 C139 C140 . . 120.0 ?
C139 C140 C135 . . 120.0 ?
C143 C142 C147 . . 120.0 ?
C143 C142 C141 . . 121.9(11) ?
C147 C142 C141 . . 117.7(11) ?
C144 C143 C142 . . 120.0 ?
C143 C144 C145 . . 120.0 ?
C146 C145 C144 . . 120.0 ?
C145 C146 C147 . . 120.0 ?
C146 C147 C142 . . 120.0 ?
N1 Ge1 C28 . . 99.7(4) ?
N1 Ge1 P1 . . 78.7(3) ?
C28 Ge1 P1 . . 103.0(3) ?
N3 Ge2 C29 . . 99.4(4) ?
N3 Ge2 P2 . . 79.1(3) ?
C29 Ge2 P2 . . 102.9(3) ?
C84 Ge3 N5 . . 99.3(4) ?
C84 Ge3 P3 . . 103.2(3) ?
N5 Ge3 P3 . . 78.5(3) ?
N7 Ge4 C85 . . 101.7(4) ?
N7 Ge4 P4 . . 78.4(3) ?
C85 Ge4 P4 . . 107.9(4) ?
N2 P1 C14 . . 106.0(5) ?
N2 P1 C18 . . 105.8(5) ?
C14 P1 C18 . . 113.6(5) ?
N2 P1 Ge1 . . 100.2(4) ?
C14 P1 Ge1 . . 103.7(4) ?
C18 P1 Ge1 . . 125.4(4) ?
N4 P2 C49 . . 104.9(5) ?
N4 P2 C53 . . 104.6(5) ?
C49 P2 C53 . . 111.1(5) ?
N4 P2 Ge2 . . 99.0(3) ?
C49 P2 Ge2 . . 105.7(4) ?
C53 P2 Ge2 . . 128.6(4) ?
N6 P3 C70 . . 103.6(5) ?
N6 P3 C74 . . 103.5(5) ?
C70 P3 C74 . . 112.2(5) ?
N6 P3 Ge3 . . 101.3(3) ?
C70 P3 Ge3 . . 105.9(4) ?
C74 P3 Ge3 . . 127.3(4) ?
N8 P4 C109 . . 104.6(5) ?
N8 P4 C105 . . 106.0(5) ?
C109 P4 C105 . . 113.6(5) ?
N8 P4 Ge4 . . 100.3(3) ?
C109 P4 Ge4 . . 125.0(4) ?
C105 P4 Ge4 . . 105.1(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.39 ?
C1 C6 . 1.39 ?
C1 N1 . 1.436(11) ?
C2 C3 . 1.39 ?
C3 C4 . 1.39 ?
C4 C5 . 1.39 ?
C5 C6 . 1.39 ?
C7 N2 . 1.324(14) ?
C7 N1 . 1.345(14) ?
C7 C8 . 1.512(12) ?
C8 C9 . 1.39 ?
C8 C13 . 1.39 ?
C9 C10 . 1.39 ?
C10 C11 . 1.39 ?
C11 C12 . 1.39 ?
C12 C13 . 1.39 ?
C14 C16 . 1.508(17) ?
C14 C17 . 1.528(18) ?
C14 C15 . 1.533(17) ?
C14 P1 . 1.872(12) ?
C18 C19 . 1.541(16) ?
C18 C20 . 1.543(17) ?
C18 C21 . 1.544(16) ?
C18 P1 . 1.887(13) ?
C22 C23 . 1.39 ?
C22 C27 . 1.39 ?
C23 C24 . 1.39 ?
C24 C25 . 1.39 ?
C25 C26 . 1.39 ?
C26 C27 . 1.39 ?
C27 C28 . 1.481(10) ?
C28 C29 . 1.393(15) ?
C28 Ge1 . 2.046(10) ?
C29 C30 . 1.491(12) ?
C29 Ge2 . 2.057(12) ?
C30 C31 . 1.39 ?
C30 C35 . 1.39 ?
C31 C32 . 1.39 ?
C32 C33 . 1.39 ?
C33 C34 . 1.39 ?
C34 C35 . 1.39 ?
C36 C37 . 1.39 ?
C36 C41 . 1.39 ?
C36 N3 . 1.430(11) ?
C37 C38 . 1.39 ?
C38 C39 . 1.39 ?
C39 C40 . 1.39 ?
C40 C41 . 1.39 ?
C42 N4 . 1.319(14) ?
C42 N3 . 1.359(14) ?
C42 C43 . 1.495(12) ?
C43 C44 . 1.39 ?
C43 C48 . 1.39 ?
C44 C45 . 1.39 ?
C45 C46 . 1.39 ?
C46 C47 . 1.39 ?
C47 C48 . 1.39 ?
C49 C50 . 1.531(18) ?
C49 C51 . 1.543(17) ?
C49 C52 . 1.567(16) ?
C49 P2 . 1.861(12) ?
C53 C55 . 1.513(16) ?
C53 C56 . 1.526(16) ?
C53 C54 . 1.534(15) ?
C53 P2 . 1.874(12) ?
C57 C58 . 1.39 ?
C57 C62 . 1.39 ?
C57 N5 . 1.426(11) ?
C58 C59 . 1.39 ?
C59 C60 . 1.39 ?
C60 C61 . 1.39 ?
C61 C62 . 1.39 ?
C63 N6 . 1.318(15) ?
C63 N5 . 1.369(15) ?
C63 C64 . 1.498(13) ?
C64 C65 . 1.39 ?
C64 C69 . 1.39 ?
C65 C66 . 1.39 ?
C66 C67 . 1.39 ?
C67 C68 . 1.39 ?
C68 C69 . 1.39 ?
C70 C73 . 1.513(16) ?
C70 C71 . 1.565(16) ?
C70 C72 . 1.569(15) ?
C70 P3 . 1.870(11) ?
C74 C77 . 1.521(14) ?
C74 C76 . 1.550(14) ?
C74 C75 . 1.552(15) ?
C74 P3 . 1.878(12) ?
C78 C79 . 1.39 ?
C78 C83 . 1.39 ?
C79 C80 . 1.39 ?
C80 C81 . 1.39 ?
C81 C82 . 1.39 ?
C82 C83 . 1.39 ?
C83 C84 . 1.502(12) ?
C84 C85 . 1.349(16) ?
C84 Ge3 . 2.023(10) ?
C85 C86 . 1.558(9) ?
C85 Ge4 . 2.008(11) ?
C86 C87 . 1.39 ?
C86 C91 . 1.39 ?
C87 C88 . 1.39 ?
C88 C89 . 1.39 ?
C89 C90 . 1.39 ?
C90 C91 . 1.39 ?
C92 C93 . 1.39 ?
C92 C97 . 1.39 ?
C92 N7 . 1.436(10) ?
C93 C94 . 1.39 ?
C94 C95 . 1.39 ?
C95 C96 . 1.39 ?
C96 C97 . 1.39 ?
C98 N8 . 1.321(14) ?
C98 N7 . 1.361(13) ?
C98 C99 . 1.485(12) ?
C99 C100 . 1.39 ?
C99 C104 . 1.39 ?
C100 C101 . 1.39 ?
C101 C102 . 1.39 ?
C102 C103 . 1.39 ?
C103 C104 . 1.39 ?
C105 C106 . 1.533(16) ?
C105 C107 . 1.543(16) ?
C105 C108 . 1.546(17) ?
C105 P4 . 1.877(11) ?
C109 C112 . 1.505(15) ?
C109 C110 . 1.532(17) ?
C109 C111 . 1.559(18) ?
C109 P4 . 1.848(13) ?
C113 C114 . 1.484(13) ?
C114 C115 . 1.39 ?
C114 C119 . 1.39 ?
C115 C116 . 1.39 ?
C116 C117 . 1.39 ?
C117 C118 . 1.39 ?
C118 C119 . 1.39 ?
N1 Ge1 . 2.009(9) ?
N2 P1 . 1.649(10) ?
N3 Ge2 . 2.014(9) ?
N4 P2 . 1.664(9) ?
N5 Ge3 . 2.038(9) ?
N6 P3 . 1.695(9) ?
N7 Ge4 . 1.995(9) ?
N8 P4 . 1.684(10) ?
C120 C121 . 1.481(15) ?
C121 C122 . 1.39 ?
C121 C126 . 1.39 ?
C122 C123 . 1.39 ?
C123 C124 . 1.39 ?
C124 C125 . 1.39 ?
C125 C126 . 1.39 ?
C134 C135 . 1.481(15) ?
C135 C136 . 1.39 ?
C135 C140 . 1.39 ?
C136 C137 . 1.39 ?
C137 C138 . 1.39 ?
C138 C139 . 1.39 ?
C139 C140 . 1.39 ?
C141 C142 . 1.479(15) ?
C142 C143 . 1.39 ?
C142 C147 . 1.39 ?
C143 C144 . 1.39 ?
C144 C145 . 1.39 ?
C145 C146 . 1.39 ?
C146 C147 . 1.39 ?
Ge1 P1 . 2.416(3) ?
Ge2 P2 . 2.439(3) ?
Ge3 P3 . 2.434(3) ?
Ge4 P4 . 2.410(3) ?
