#------------------------------------------------------------------------------
#$Date: 2023-06-05 07:13:02 +0300 (Mon, 05 Jun 2023) $
#$Revision: 284245 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/90/1569007.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_1569007
loop_
_publ_author_name
'Liu, Xiaona'
'Dai, Yuyang'
'Bao, Manling'
'Wang, Wenjuan'
'Li, Qianli'
'Liu, Chunmeng'
'Wang, Xinping'
'Su, Yuanting'
_publ_section_title
;
 A crystalline T-shaped planar group 14 anion.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              5722
_journal_page_last               5727
_journal_paper_doi               10.1039/d2sc07006e
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C48 H65 Ge N3, C3 H7'
_chemical_formula_sum            'C51 H72 Ge N3'
_chemical_formula_weight         799.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-07-11
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-08-16 deposited with the CCDC.	2023-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                98.596(5)
_cell_angle_beta                 101.664(3)
_cell_angle_gamma                96.759(6)
_cell_formula_units_Z            2
_cell_length_a                   12.7334(7)
_cell_length_b                   13.204(3)
_cell_length_c                   14.3960(6)
_cell_measurement_reflns_used    9822
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      53.87
_cell_measurement_theta_min      2.97
_cell_volume                     2316.3(6)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      120.0
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            37828
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.094
_diffrn_reflns_theta_min         2.980
_diffrn_source_current           3.57
_diffrn_source_power             0.24947159999999996
_diffrn_source_voltage           69.88
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_T_max  0.7532
_exptl_absorpt_correction_T_min  0.6342
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_description       block
_exptl_crystal_F_000             862
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.618
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         8363
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0383
_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/[σ²(Fo²)+(0.0406P)²+1.9244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1008
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8000
_reflns_number_total             8363
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc07006e2.cif
_cod_data_source_block           LGeMe
_cod_depositor_comments
'Adding full bibliography for 1569006--1569011.cif.'
_cod_original_cell_volume        2316.3(5)
_cod_database_code               1569007
_shelx_shelxl_version_number     2018/3
_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   0.915
_shelx_estimated_absorpt_t_min   0.902
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C20, C22
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3.a Ternary CH refined with riding coordinates:
 C31(H31), C33(H33), C45(H45), C42(H42)
3.b Secondary CH2 refined with riding coordinates:
 C51(H51A,H51B), C50(H50A,H50B)
3.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C4(H4), C28(H28), C2(H2), C26(H26), C27(H27), C38(H38),
 C40(H40), C39(H39)
3.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C48(H48A,H48B,H48C), C14(H14A,H14B,H14C), C32(H32A,H32B,
 H32C), C30(H30A,H30B,H30C), C47(H47A,H47B,H47C), C46(H46A,H46B,H46C), C19(H19A,
 H19B,H19C), C35(H35A,H35B,H35C), C18(H18A,H18B,H18C), C17(H17A,H17B,H17C),
 C34(H34A,H34B,H34C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C21(H21A,H21B,
 H21C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C49(H49A,H49B,H49C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.70285(2) 0.71875(2) 0.68932(2) 0.01845(8) Uani 1 1 d . . . . .
N3 N 0.56913(11) 0.68683(11) 0.60490(10) 0.0183(3) Uani 1 1 d . . . . .
N2 N 0.74451(11) 0.80278(11) 0.60356(10) 0.0201(3) Uani 1 1 d . . . . .
N1 N 0.62550(12) 0.71751(12) 0.78838(10) 0.0222(3) Uani 1 1 d . . . . .
C12 C 0.56036(13) 0.74374(12) 0.52990(12) 0.0170(3) Uani 1 1 d . . . . .
C7 C 0.65554(13) 0.80726(13) 0.52855(12) 0.0181(3) Uani 1 1 d . . . . .
C11 C 0.46002(13) 0.74788(13) 0.47176(12) 0.0177(3) Uani 1 1 d . . . . .
C6 C 0.48261(14) 0.68876(13) 0.65138(12) 0.0187(3) Uani 1 1 d . . . . .
C13 C 0.36147(13) 0.68120(13) 0.49069(12) 0.0193(3) Uani 1 1 d . . . . .
C15 C 0.25417(14) 0.71345(15) 0.44573(13) 0.0250(4) Uani 1 1 d . . . . .
H15A H 0.252656 0.785440 0.473846 0.037 Uiso 1 1 calc R U . . .
H15B H 0.193928 0.668249 0.458486 0.037 Uiso 1 1 calc R U . . .
H15C H 0.247033 0.707357 0.375969 0.037 Uiso 1 1 calc R U . . .
C9 C 0.55443(14) 0.87082(13) 0.39393(12) 0.0211(4) Uani 1 1 d . . . . .
C8 C 0.65225(14) 0.86943(13) 0.45839(12) 0.0209(3) Uani 1 1 d . . . . .
H8 H 0.716675 0.911095 0.454243 0.025 Uiso 1 1 calc R U . . .
C1 C 0.51264(14) 0.70599(13) 0.75158(12) 0.0204(3) Uani 1 1 d . . . . .
C24 C 0.85187(13) 0.83134(13) 0.58944(12) 0.0200(3) Uani 1 1 d . . . . .
C10 C 0.45890(13) 0.81195(13) 0.40332(12) 0.0195(3) Uani 1 1 d . . . . .
H10 H 0.391883 0.816058 0.361833 0.023 Uiso 1 1 calc R U . . .
C3 C 0.32372(14) 0.70864(13) 0.75530(13) 0.0219(4) Uani 1 1 d . . . . .
C48 C 0.82771(15) 0.65368(15) 0.73115(14) 0.0276(4) Uani 1 1 d . . . . .
H48A H 0.813001 0.580307 0.701065 0.041 Uiso 1 1 calc R U . . .
H48B H 0.843000 0.659662 0.801418 0.041 Uiso 1 1 calc R U . . .
H48C H 0.890581 0.688011 0.712218 0.041 Uiso 1 1 calc R U . . .
C29 C 0.88901(14) 0.76673(14) 0.52019(13) 0.0226(4) Uani 1 1 d . . . . .
C4 C 0.29857(14) 0.69973(13) 0.65431(13) 0.0209(3) Uani 1 1 d . . . . .
H4 H 0.225889 0.700293 0.621884 0.025 Uiso 1 1 calc R U . . .
C28 C 0.99035(15) 0.79847(16) 0.50164(15) 0.0290(4) Uani 1 1 d . . . . .
H28 H 1.015820 0.756526 0.453919 0.035 Uiso 1 1 calc R U . . .
C5 C 0.37784(13) 0.69008(13) 0.60070(12) 0.0188(3) Uani 1 1 d . . . . .
C2 C 0.43175(15) 0.71371(14) 0.80354(13) 0.0230(4) Uani 1 1 d . . . . .
H2 H 0.450046 0.722435 0.871876 0.028 Uiso 1 1 calc R U . . .
C14 C 0.36226(15) 0.56774(14) 0.44665(13) 0.0244(4) Uani 1 1 d . . . . .
H14A H 0.353607 0.561136 0.376704 0.037 Uiso 1 1 calc R U . . .
H14B H 0.302361 0.523212 0.460680 0.037 Uiso 1 1 calc R U . . .
H14C H 0.431310 0.546624 0.474535 0.037 Uiso 1 1 calc R U . . .
C37 C 0.65911(16) 0.60766(16) 0.91015(14) 0.0298(4) Uani 1 1 d . . . . .
C36 C 0.66455(14) 0.70723(15) 0.88676(13) 0.0252(4) Uani 1 1 d . . . . .
C25 C 0.91705(14) 0.92280(14) 0.64237(13) 0.0238(4) Uani 1 1 d . . . . .
C26 C 1.01813(15) 0.95010(16) 0.62172(15) 0.0313(4) Uani 1 1 d . . . . .
H26 H 1.063391 1.011882 0.656969 0.038 Uiso 1 1 calc R U . . .
C31 C 0.82380(15) 0.66408(15) 0.46499(14) 0.0276(4) Uani 1 1 d . . . . .
H31 H 0.759342 0.649470 0.493391 0.033 Uiso 1 1 calc R U . . .
C16 C 0.23156(15) 0.71270(15) 0.81004(13) 0.0259(4) Uani 1 1 d . . . . .
C27 C 1.05359(15) 0.88956(16) 0.55154(16) 0.0325(4) Uani 1 1 d . . . . .
H27 H 1.121757 0.910681 0.537533 0.039 Uiso 1 1 calc R U . . .
C20 C 0.54891(15) 0.93543(15) 0.31309(14) 0.0280(4) Uani 1 1 d . U . . .
C41 C 0.70467(16) 0.79579(17) 0.95746(14) 0.0323(4) Uani 1 1 d . . . . .
C33 C 0.87846(16) 0.99400(15) 0.71724(14) 0.0292(4) Uani 1 1 d . . . . .
H33 H 0.822129 0.951816 0.740756 0.035 Uiso 1 1 calc R U . . .
C38 C 0.69508(19) 0.59958(19) 1.00661(15) 0.0395(5) Uani 1 1 d . . . . .
H38 H 0.692230 0.532879 1.024078 0.047 Uiso 1 1 calc R U . . .
C45 C 0.61245(18) 0.51090(16) 0.83545(15) 0.0336(4) Uani 1 1 d . . . . .
H45 H 0.600815 0.531726 0.770577 0.040 Uiso 1 1 calc R U . . .
C32 C 0.7822(2) 0.66744(19) 0.35799(16) 0.0424(5) Uani 1 1 d . . . . .
H32A H 0.735885 0.721438 0.351774 0.064 Uiso 1 1 calc R U . . .
H32B H 0.740107 0.600117 0.325155 0.064 Uiso 1 1 calc R U . . .
H32C H 0.843908 0.682903 0.328646 0.064 Uiso 1 1 calc R U . . .
C30 C 0.89044(18) 0.57565(16) 0.47587(16) 0.0360(5) Uani 1 1 d . . . . .
H30A H 0.951662 0.585774 0.444778 0.054 Uiso 1 1 calc R U . . .
H30B H 0.844487 0.509450 0.445321 0.054 Uiso 1 1 calc R U . . .
H30C H 0.917830 0.575086 0.544462 0.054 Uiso 1 1 calc R U . . .
C47 C 0.6902(2) 0.43089(18) 0.83662(17) 0.0423(5) Uani 1 1 d . . . . .
H47A H 0.760307 0.462798 0.828227 0.063 Uiso 1 1 calc R U . . .
H47B H 0.659669 0.372162 0.784007 0.063 Uiso 1 1 calc R U . . .
H47C H 0.700254 0.406456 0.898379 0.063 Uiso 1 1 calc R U . . .
C40 C 0.73981(19) 0.7830(2) 1.05305(15) 0.0419(5) Uani 1 1 d . . . . .
H40 H 0.767634 0.842241 1.101960 0.050 Uiso 1 1 calc R U . . .
C39 C 0.7346(2) 0.6860(2) 1.07709(15) 0.0453(6) Uani 1 1 d . . . . .
H39 H 0.758295 0.678512 1.142305 0.054 Uiso 1 1 calc R U . . .
C42 C 0.7059(2) 0.90372(18) 0.93425(15) 0.0422(5) Uani 1 1 d . . . . .
H42 H 0.691984 0.897002 0.862538 0.051 Uiso 1 1 calc R U . . .
C46 C 0.5024(2) 0.46192(19) 0.8482(2) 0.0483(6) Uani 1 1 d . . . . .
H46A H 0.511533 0.439740 0.910947 0.072 Uiso 1 1 calc R U . . .
H46B H 0.472903 0.401768 0.796833 0.072 Uiso 1 1 calc R U . . .
H46C H 0.452306 0.512885 0.844921 0.072 Uiso 1 1 calc R U . . .
C19 C 0.1732(2) 0.8047(2) 0.79196(18) 0.0461(6) Uani 1 1 d . . . . .
H19A H 0.225329 0.868962 0.812616 0.069 Uiso 1 1 calc R U . . .
H19B H 0.116274 0.807425 0.828602 0.069 Uiso 1 1 calc R U . . .
H19C H 0.140559 0.796946 0.723047 0.069 Uiso 1 1 calc R U . . .
C35 C 0.82625(19) 1.07790(17) 0.67151(17) 0.0391(5) Uani 1 1 d . . . . .
H35A H 0.879910 1.119585 0.647059 0.059 Uiso 1 1 calc R U . . .
H35B H 0.800104 1.122531 0.719881 0.059 Uiso 1 1 calc R U . . .
H35C H 0.765109 1.045583 0.618133 0.059 Uiso 1 1 calc R U . . .
C18 C 0.1489(2) 0.6141(2) 0.7732(2) 0.0517(7) Uani 1 1 d . . . . .
H18A H 0.118503 0.609255 0.704150 0.078 Uiso 1 1 calc R U . . .
H18B H 0.090446 0.616008 0.808151 0.078 Uiso 1 1 calc R U . . .
H18C H 0.184622 0.553584 0.783473 0.078 Uiso 1 1 calc R U . . .
C17 C 0.2726(2) 0.7221(2) 0.91886(16) 0.0457(6) Uani 1 1 d . . . . .
H17A H 0.307434 0.661917 0.932279 0.069 Uiso 1 1 calc R U . . .
H17B H 0.211417 0.725018 0.950419 0.069 Uiso 1 1 calc R U . . .
H17C H 0.325354 0.785545 0.943619 0.069 Uiso 1 1 calc R U . . .
C34 C 0.9698(2) 1.0436(2) 0.80371(18) 0.0555(7) Uani 1 1 d . . . . .
H34A H 1.004306 0.989341 0.831851 0.083 Uiso 1 1 calc R U . . .
H34B H 0.940040 1.084478 0.852024 0.083 Uiso 1 1 calc R U . . .
H34C H 1.023685 1.088991 0.782856 0.083 Uiso 1 1 calc R U . . .
C22 C 0.5086(3) 0.8620(2) 0.21476(17) 0.0567(7) Uani 1 1 d . U . . .
H22A H 0.557873 0.810923 0.208513 0.085 Uiso 1 1 calc R U . . .
H22B H 0.506930 0.902331 0.162738 0.085 Uiso 1 1 calc R U . . .
H22C H 0.435484 0.826132 0.210637 0.085 Uiso 1 1 calc R U . . .
C23 C 0.6581(2) 0.9955(3) 0.3136(3) 0.0781(11) Uani 1 1 d . . . . .
H23A H 0.683544 1.045660 0.373839 0.117 Uiso 1 1 calc R U . . .
H23B H 0.650888 1.032269 0.258856 0.117 Uiso 1 1 calc R U . . .
H23C H 0.710529 0.947383 0.308351 0.117 Uiso 1 1 calc R U . . .
C21 C 0.4687(2) 1.0112(2) 0.3221(2) 0.0526(7) Uani 1 1 d . . . . .
H21A H 0.395984 0.972641 0.314592 0.079 Uiso 1 1 calc R U . . .
H21B H 0.467890 1.053898 0.271886 0.079 Uiso 1 1 calc R U . . .
H21C H 0.490546 1.055972 0.385676 0.079 Uiso 1 1 calc R U . . .
C51 C 1.0064(2) 0.4902(2) 0.9492(2) 0.0545(6) Uani 1 1 d . . . . .
H51A H 1.082514 0.515086 0.948084 0.065 Uiso 1 1 calc R U . . .
H51B H 0.959451 0.530914 0.910954 0.065 Uiso 1 1 calc R U . . .
C43 C 0.6152(2) 0.9543(2) 0.9670(2) 0.0617(7) Uani 1 1 d . . . . .
H43A H 0.545100 0.911979 0.934910 0.093 Uiso 1 1 calc R U . . .
H43B H 0.616863 1.023620 0.950208 0.093 Uiso 1 1 calc R U . . .
H43C H 0.625058 0.959891 1.036966 0.093 Uiso 1 1 calc R U . . .
C44 C 0.8133(3) 0.9739(2) 0.9760(3) 0.0670(8) Uani 1 1 d . . . . .
H44A H 0.828277 0.983755 1.046562 0.101 Uiso 1 1 calc R U . . .
H44B H 0.809797 1.041161 0.955542 0.101 Uiso 1 1 calc R U . . .
H44C H 0.871257 0.942151 0.953052 0.101 Uiso 1 1 calc R U . . .
C50 C 0.9777(2) 0.3761(2) 0.9016(2) 0.0597(7) Uani 1 1 d . . . . .
H50A H 1.029006 0.335714 0.935503 0.072 Uiso 1 1 calc R U . . .
H50B H 0.903683 0.348959 0.906996 0.072 Uiso 1 1 calc R U . . .
C49 C 0.9827(3) 0.3627(2) 0.7964(2) 0.0665(8) Uani 1 1 d . . . . .
H49A H 0.928890 0.399380 0.762120 0.100 Uiso 1 1 calc R U . . .
H49B H 0.966984 0.288815 0.768035 0.100 Uiso 1 1 calc R U . . .
H49C H 1.055348 0.391206 0.791019 0.100 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 '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
N3 Ge1 N2 86.59(6) . . ?
N3 Ge1 N1 86.14(6) . . ?
N3 Ge1 C48 139.23(8) . . ?
N2 Ge1 N1 141.84(6) . . ?
N2 Ge1 C48 104.84(7) . . ?
N1 Ge1 C48 105.00(7) . . ?
C12 N3 Ge1 112.83(11) . . ?
C12 N3 C6 113.43(13) . . ?
C6 N3 Ge1 113.02(11) . . ?
C7 N2 Ge1 111.20(11) . . ?
C7 N2 C24 117.96(14) . . ?
C24 N2 Ge1 127.63(11) . . ?
C1 N1 Ge1 111.62(11) . . ?
C1 N1 C36 118.73(14) . . ?
C36 N1 Ge1 128.48(12) . . ?
C7 C12 N3 114.88(14) . . ?
C11 C12 N3 121.15(15) . . ?
C11 C12 C7 123.21(15) . . ?
C12 C7 N2 114.06(14) . . ?
C8 C7 N2 127.57(15) . . ?
C8 C7 C12 118.32(15) . . ?
C12 C11 C13 116.27(14) . . ?
C10 C11 C12 116.85(15) . . ?
C10 C11 C13 126.87(15) . . ?
C1 C6 N3 114.85(15) . . ?
C5 C6 N3 121.19(15) . . ?
C5 C6 C1 123.16(16) . . ?
C15 C13 C11 112.32(14) . . ?
C15 C13 C5 111.89(14) . . ?
C15 C13 C14 108.91(14) . . ?
C5 C13 C11 107.15(13) . . ?
C14 C13 C11 107.92(13) . . ?
C14 C13 C5 108.50(14) . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C8 C9 C10 119.28(15) . . ?
C8 C9 C20 121.49(16) . . ?
C10 C9 C20 119.24(15) . . ?
C7 C8 C9 120.22(16) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C6 C1 N1 113.82(15) . . ?
C6 C1 C2 118.52(16) . . ?
C2 C1 N1 127.61(16) . . ?
C29 C24 N2 118.65(15) . . ?
C25 C24 N2 120.48(16) . . ?
C25 C24 C29 120.85(16) . . ?
C11 C10 C9 121.70(15) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C4 C3 C16 119.20(16) . . ?
C2 C3 C4 119.19(16) . . ?
C2 C3 C16 121.61(16) . . ?
Ge1 C48 H48A 109.5 . . ?
Ge1 C48 H48B 109.5 . . ?
Ge1 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C24 C29 C31 122.70(16) . . ?
C28 C29 C24 118.52(17) . . ?
C28 C29 C31 118.78(17) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 C3 121.58(16) . . ?
C5 C4 H4 119.2 . . ?
C29 C28 H28 119.6 . . ?
C27 C28 C29 120.90(18) . . ?
C27 C28 H28 119.6 . . ?
C6 C5 C13 116.29(15) . . ?
C6 C5 C4 116.98(15) . . ?
C4 C5 C13 126.73(15) . . ?
C1 C2 C3 120.17(16) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C36 C37 C45 122.29(17) . . ?
C38 C37 C36 117.8(2) . . ?
C38 C37 C45 119.89(19) . . ?
C37 C36 N1 118.74(17) . . ?
C41 C36 N1 119.90(17) . . ?
C41 C36 C37 121.34(17) . . ?
C24 C25 C33 121.77(16) . . ?
C26 C25 C24 118.15(17) . . ?
C26 C25 C33 120.02(17) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 C25 121.50(18) . . ?
C27 C26 H26 119.2 . . ?
C29 C31 H31 107.8 . . ?
C29 C31 C32 112.04(17) . . ?
C29 C31 C30 110.95(16) . . ?
C32 C31 H31 107.8 . . ?
C30 C31 H31 107.8 . . ?
C30 C31 C32 110.16(17) . . ?
C19 C16 C3 110.41(15) . . ?
C19 C16 C18 107.9(2) . . ?
C19 C16 C17 108.13(18) . . ?
C18 C16 C3 109.17(16) . . ?
C18 C16 C17 108.60(18) . . ?
C17 C16 C3 112.52(16) . . ?
C28 C27 C26 119.99(18) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C9 C20 C22 108.93(16) . . ?
C23 C20 C9 112.77(17) . . ?
C23 C20 C22 107.9(2) . . ?
C23 C20 C21 108.9(2) . . ?
C21 C20 C9 110.09(17) . . ?
C21 C20 C22 108.2(2) . . ?
C36 C41 C40 118.4(2) . . ?
C36 C41 C42 121.97(17) . . ?
C40 C41 C42 119.6(2) . . ?
C25 C33 H33 108.1 . . ?
C25 C33 C35 109.98(16) . . ?
C25 C33 C34 112.49(18) . . ?
C35 C33 H33 108.1 . . ?
C35 C33 C34 109.82(18) . . ?
C34 C33 H33 108.1 . . ?
C37 C38 H38 119.2 . . ?
C39 C38 C37 121.6(2) . . ?
C39 C38 H38 119.2 . . ?
C37 C45 H45 107.7 . . ?
C37 C45 C47 112.03(18) . . ?
C37 C45 C46 111.63(18) . . ?
C47 C45 H45 107.7 . . ?
C47 C45 C46 109.99(18) . . ?
C46 C45 H45 107.7 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C41 C40 H40 119.5 . . ?
C39 C40 C41 120.9(2) . . ?
C39 C40 H40 119.5 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 119.99(19) . . ?
C40 C39 H39 120.0 . . ?
C41 C42 H42 107.4 . . ?
C41 C42 C43 111.0(2) . . ?
C41 C42 C44 113.6(2) . . ?
C43 C42 H42 107.4 . . ?
C44 C42 H42 107.4 . . ?
C44 C42 C43 109.7(2) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C51 C51 H51A 108.9 2_767 . ?
C51 C51 H51B 108.9 2_767 . ?
C51 C51 C50 113.5(3) 2_767 . ?
H51A C51 H51B 107.7 . . ?
C50 C51 H51A 108.9 . . ?
C50 C51 H51B 108.9 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
H50A C50 H50B 108.1 . . ?
C49 C50 C51 110.8(3) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 N3 1.8425(14) . ?
Ge1 N2 1.8901(15) . ?
Ge1 N1 1.8908(15) . ?
Ge1 C48 1.9281(18) . ?
N3 C12 1.399(2) . ?
N3 C6 1.401(2) . ?
N2 C7 1.412(2) . ?
N2 C24 1.437(2) . ?
N1 C1 1.409(2) . ?
N1 C36 1.435(2) . ?
C12 C7 1.396(2) . ?
C12 C11 1.391(2) . ?
C7 C8 1.391(2) . ?
C11 C13 1.541(2) . ?
C11 C10 1.390(2) . ?
C6 C1 1.392(2) . ?
C6 C5 1.389(2) . ?
C13 C15 1.526(2) . ?
C13 C5 1.540(2) . ?
C13 C14 1.539(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C9 C8 1.399(2) . ?
C9 C10 1.406(2) . ?
C9 C20 1.538(2) . ?
C8 H8 0.9500 . ?
C1 C2 1.394(2) . ?
C24 C29 1.406(3) . ?
C24 C25 1.400(3) . ?
C10 H10 0.9500 . ?
C3 C4 1.408(2) . ?
C3 C2 1.399(3) . ?
C3 C16 1.542(2) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C29 C28 1.399(3) . ?
C29 C31 1.518(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.395(2) . ?
C28 H28 0.9500 . ?
C28 C27 1.375(3) . ?
C2 H2 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C37 C36 1.403(3) . ?
C37 C38 1.396(3) . ?
C37 C45 1.515(3) . ?
C36 C41 1.399(3) . ?
C25 C26 1.397(3) . ?
C25 C33 1.519(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.375(3) . ?
C31 H31 1.0000 . ?
C31 C32 1.534(3) . ?
C31 C30 1.530(3) . ?
C16 C19 1.525(3) . ?
C16 C18 1.527(3) . ?
C16 C17 1.529(3) . ?
C27 H27 0.9500 . ?
C20 C22 1.545(3) . ?
C20 C23 1.516(3) . ?
C20 C21 1.522(3) . ?
C41 C40 1.400(3) . ?
C41 C42 1.511(3) . ?
C33 H33 1.0000 . ?
C33 C35 1.522(3) . ?
C33 C34 1.524(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.377(4) . ?
C45 H45 1.0000 . ?
C45 C47 1.530(3) . ?
C45 C46 1.530(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C40 H40 0.9500 . ?
C40 C39 1.373(4) . ?
C39 H39 0.9500 . ?
C42 H42 1.0000 . ?
C42 C43 1.520(4) . ?
C42 C44 1.514(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C51 C51 1.492(5) 2_767 ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C50 1.528(4) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C49 1.513(4) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
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 N3 C12 C7 4.67(18) . . . . ?
Ge1 N3 C12 C11 -165.68(12) . . . . ?
Ge1 N3 C6 C1 -4.84(18) . . . . ?
Ge1 N3 C6 C5 165.29(13) . . . . ?
Ge1 N2 C7 C12 -4.58(18) . . . . ?
Ge1 N2 C7 C8 172.70(14) . . . . ?
Ge1 N2 C24 C29 89.42(18) . . . . ?
Ge1 N2 C24 C25 -91.83(18) . . . . ?
Ge1 N1 C1 C6 5.52(18) . . . . ?
Ge1 N1 C1 C2 -171.96(15) . . . . ?
Ge1 N1 C36 C37 -89.8(2) . . . . ?
Ge1 N1 C36 C41 91.7(2) . . . . ?
N3 Ge1 N2 C7 5.77(11) . . . . ?
N3 Ge1 N2 C24 -153.31(15) . . . . ?
N3 Ge1 N1 C1 -6.59(12) . . . . ?
N3 Ge1 N1 C36 160.70(16) . . . . ?
N3 C12 C7 N2 0.1(2) . . . . ?
N3 C12 C7 C8 -177.50(15) . . . . ?
N3 C12 C11 C13 -3.7(2) . . . . ?
N3 C12 C11 C10 175.85(15) . . . . ?
N3 C6 C1 N1 -0.6(2) . . . . ?
N3 C6 C1 C2 177.16(15) . . . . ?
N3 C6 C5 C13 4.3(2) . . . . ?
N3 C6 C5 C4 -175.38(15) . . . . ?
N2 Ge1 N3 C12 -5.81(11) . . . . ?
N2 Ge1 N3 C6 -136.16(12) . . . . ?
N2 Ge1 N1 C1 72.90(16) . . . . ?
N2 Ge1 N1 C36 -119.80(16) . . . . ?
N2 C7 C8 C9 -174.47(16) . . . . ?
N2 C24 C29 C28 175.44(15) . . . . ?
N2 C24 C29 C31 -4.7(2) . . . . ?
N2 C24 C25 C26 -176.20(16) . . . . ?
N2 C24 C25 C33 1.0(2) . . . . ?
N1 Ge1 N3 C12 136.70(12) . . . . ?
N1 Ge1 N3 C6 6.34(12) . . . . ?
N1 Ge1 N2 C7 -73.58(15) . . . . ?
N1 Ge1 N2 C24 127.35(14) . . . . ?
N1 C1 C2 C3 174.63(16) . . . . ?
N1 C36 C41 C40 178.57(18) . . . . ?
N1 C36 C41 C42 1.6(3) . . . . ?
C12 N3 C6 C1 -134.89(15) . . . . ?
C12 N3 C6 C5 35.2(2) . . . . ?
C12 C7 C8 C9 2.7(2) . . . . ?
C12 C11 C13 C15 163.40(15) . . . . ?
C12 C11 C13 C5 40.13(19) . . . . ?
C12 C11 C13 C14 -76.53(18) . . . . ?
C12 C11 C10 C9 -0.7(2) . . . . ?
C7 N2 C24 C29 -68.4(2) . . . . ?
C7 N2 C24 C25 110.31(18) . . . . ?
C7 C12 C11 C13 -173.28(15) . . . . ?
C7 C12 C11 C10 6.3(2) . . . . ?
C11 C12 C7 N2 170.18(15) . . . . ?
C11 C12 C7 C8 -7.4(2) . . . . ?
C11 C13 C5 C6 -40.42(19) . . . . ?
C11 C13 C5 C4 139.27(17) . . . . ?
C6 N3 C12 C7 134.82(15) . . . . ?
C6 N3 C12 C11 -35.5(2) . . . . ?
C6 C1 C2 C3 -2.7(3) . . . . ?
C13 C11 C10 C9 178.82(16) . . . . ?
C15 C13 C5 C6 -163.95(15) . . . . ?
C15 C13 C5 C4 15.7(2) . . . . ?
C8 C9 C10 C11 -3.6(3) . . . . ?
C8 C9 C20 C22 119.0(2) . . . . ?
C8 C9 C20 C23 -0.7(3) . . . . ?
C8 C9 C20 C21 -122.5(2) . . . . ?
C1 N1 C36 C37 76.8(2) . . . . ?
C1 N1 C36 C41 -101.8(2) . . . . ?
C1 C6 C5 C13 173.64(15) . . . . ?
C1 C6 C5 C4 -6.1(2) . . . . ?
C24 N2 C7 C12 156.75(15) . . . . ?
C24 N2 C7 C8 -26.0(2) . . . . ?
C24 C29 C28 C27 1.6(3) . . . . ?
C24 C29 C31 C32 111.1(2) . . . . ?
C24 C29 C31 C30 -125.34(18) . . . . ?
C24 C25 C26 C27 0.0(3) . . . . ?
C24 C25 C33 C35 -93.1(2) . . . . ?
C24 C25 C33 C34 144.1(2) . . . . ?
C10 C11 C13 C15 -16.2(2) . . . . ?
C10 C11 C13 C5 -139.42(17) . . . . ?
C10 C11 C13 C14 103.91(19) . . . . ?
C10 C9 C8 C7 2.5(3) . . . . ?
C10 C9 C20 C22 -61.1(2) . . . . ?
C10 C9 C20 C23 179.2(2) . . . . ?
C10 C9 C20 C21 57.4(2) . . . . ?
C3 C4 C5 C6 0.5(2) . . . . ?
C3 C4 C5 C13 -179.15(16) . . . . ?
C48 Ge1 N3 C12 -114.71(14) . . . . ?
C48 Ge1 N3 C6 114.94(14) . . . . ?
C48 Ge1 N2 C7 146.04(12) . . . . ?
C48 Ge1 N2 C24 -13.04(16) . . . . ?
C48 Ge1 N1 C1 -146.74(12) . . . . ?
C48 Ge1 N1 C36 20.55(18) . . . . ?
C29 C24 C25 C26 2.5(3) . . . . ?
C29 C24 C25 C33 179.75(16) . . . . ?
C29 C28 C27 C26 0.9(3) . . . . ?
C4 C3 C2 C1 -2.4(3) . . . . ?
C4 C3 C16 C19 -59.2(2) . . . . ?
C4 C3 C16 C18 59.2(2) . . . . ?
C4 C3 C16 C17 179.86(18) . . . . ?
C28 C29 C31 C32 -69.0(2) . . . . ?
C28 C29 C31 C30 54.6(2) . . . . ?
C5 C6 C1 N1 -170.48(15) . . . . ?
C5 C6 C1 C2 7.2(3) . . . . ?
C2 C3 C4 C5 3.6(3) . . . . ?
C2 C3 C16 C19 120.7(2) . . . . ?
C2 C3 C16 C18 -120.9(2) . . . . ?
C2 C3 C16 C17 -0.2(3) . . . . ?
C14 C13 C5 C6 75.87(18) . . . . ?
C14 C13 C5 C4 -104.44(19) . . . . ?
C37 C36 C41 C40 0.1(3) . . . . ?
C37 C36 C41 C42 -176.87(19) . . . . ?
C37 C38 C39 C40 -0.3(4) . . . . ?
C36 N1 C1 C6 -163.16(16) . . . . ?
C36 N1 C1 C2 19.4(3) . . . . ?
C36 C37 C38 C39 0.1(3) . . . . ?
C36 C37 C45 C47 127.8(2) . . . . ?
C36 C37 C45 C46 -108.4(2) . . . . ?
C36 C41 C40 C39 -0.3(3) . . . . ?
C36 C41 C42 C43 103.4(2) . . . . ?
C36 C41 C42 C44 -132.4(2) . . . . ?
C25 C24 C29 C28 -3.3(3) . . . . ?
C25 C24 C29 C31 176.60(16) . . . . ?
C25 C26 C27 C28 -1.7(3) . . . . ?
C26 C25 C33 C35 84.1(2) . . . . ?
C26 C25 C33 C34 -38.7(3) . . . . ?
C31 C29 C28 C27 -178.35(18) . . . . ?
C16 C3 C4 C5 -176.48(16) . . . . ?
C16 C3 C2 C1 177.64(16) . . . . ?
C20 C9 C8 C7 -177.59(16) . . . . ?
C20 C9 C10 C11 176.54(16) . . . . ?
C41 C40 C39 C38 0.4(4) . . . . ?
C33 C25 C26 C27 -177.25(18) . . . . ?
C38 C37 C36 N1 -178.48(17) . . . . ?
C38 C37 C36 C41 0.0(3) . . . . ?
C38 C37 C45 C47 -54.4(3) . . . . ?
C38 C37 C45 C46 69.4(2) . . . . ?
C45 C37 C36 N1 -0.6(3) . . . . ?
C45 C37 C36 C41 177.85(18) . . . . ?
C45 C37 C38 C39 -177.8(2) . . . . ?
C40 C41 C42 C43 -73.5(3) . . . . ?
C40 C41 C42 C44 50.6(3) . . . . ?
C42 C41 C40 C39 176.7(2) . . . . ?
C51 C51 C50 C49 175.0(3) 2_767 . . . ?
