#------------------------------------------------------------------------------
#$Date: 2024-01-04 00:19:24 +0100 (Thu 04 de Jan de 2024) $
#$Revision: 288659 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/06/1570633.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_1570633
loop_
_publ_author_name
'Charman, Rex S. C.'
'Evans, Nick J.'
'English, Laura E.'
'Neale, Samuel E.'
'Vasko, Petra'
'Mahon, Mary F.'
'Liptrot, David J.'
_publ_section_title
;
 The structures and reactivity of NHC-supported copper(i) triphenylgermyls
;
_journal_issue                   2
_journal_name_full               'Chemical Science'
_journal_page_first              584
_journal_page_last               593
_journal_paper_doi               10.1039/D3SC05862J
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C40 H43 Cu Ge N2'
_chemical_formula_sum            'C40 H43 Cu Ge N2'
_chemical_formula_weight         687.89
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2023-11-28
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-11-28 deposited with the CCDC.	2023-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.9900(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.96160(10)
_cell_length_b                   19.74940(10)
_cell_length_c                   20.0400(2)
_cell_measurement_reflns_used    28457
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      72.5210
_cell_measurement_theta_min      4.4510
_cell_volume                     3481.76(6)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_unetI/netI     0.0132
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            46335
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.543
_diffrn_reflns_theta_min         4.478
_exptl_absorpt_coefficient_mu    2.025
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_description       block
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         6896
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0270
_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)+(0.0372P)²+1.4295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0733
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6585
_reflns_number_total             6896
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc05862j2.cif
_cod_data_source_block           s22djl08
_cod_database_code               1570633
_shelx_shelxl_version_number     2019/3
_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   0.871
_shelx_estimated_absorpt_t_min   0.631
_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.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C9(H9), C16(H16), C18(H18), C24(H24), C25(H25), C26(H26), C27(H27),
 C28(H28), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37),
  C38(H38), C39(H39), C40(H40)
2.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.41612(2) 0.27390(2) 0.74031(2) 0.02973(6) Uani 1 1 d . . . . .
Cu1 Cu 0.52007(2) 0.37937(2) 0.73080(2) 0.02818(7) Uani 1 1 d . . . . .
N1 N 0.57911(17) 0.51235(7) 0.77885(7) 0.0353(3) Uani 1 1 d . . . . .
N2 N 0.63191(16) 0.49898(7) 0.67216(7) 0.0323(3) Uani 1 1 d . . . . .
C1 C 0.58720(17) 0.47203(8) 0.72619(7) 0.0297(3) Uani 1 1 d . . . . .
C2 C 0.6199(3) 0.58485(9) 0.78270(10) 0.0482(5) Uani 1 1 d . . . . .
H2A H 0.663955 0.597264 0.830235 0.058 Uiso 1 1 calc R U . . .
H2B H 0.527856 0.612725 0.767534 0.058 Uiso 1 1 calc R U . . .
C3 C 0.7349(3) 0.59823(10) 0.73742(10) 0.0481(5) Uani 1 1 d . . . . .
H3A H 0.753143 0.647517 0.734869 0.058 Uiso 1 1 calc R U . . .
H3B H 0.832587 0.576003 0.756728 0.058 Uiso 1 1 calc R U . . .
C4 C 0.6741(2) 0.57066(9) 0.66700(9) 0.0411(4) Uani 1 1 d . . . . .
H4A H 0.583966 0.597093 0.645277 0.049 Uiso 1 1 calc R U . . .
H4B H 0.752583 0.574756 0.638535 0.049 Uiso 1 1 calc R U . . .
C5 C 0.63541(18) 0.45522(8) 0.61493(7) 0.0312(3) Uani 1 1 d . . . . .
C6 C 0.50016(18) 0.44025(8) 0.57000(8) 0.0324(3) Uani 1 1 d . . . . .
C7 C 0.50690(19) 0.39588(9) 0.51676(8) 0.0359(3) Uani 1 1 d . . . . .
H7 H 0.415649 0.384804 0.486097 0.043 Uiso 1 1 calc R U . . .
C8 C 0.6421(2) 0.36731(9) 0.50697(8) 0.0383(4) Uani 1 1 d . . . . .
C9 C 0.7748(2) 0.38371(9) 0.55222(9) 0.0398(4) Uani 1 1 d . . . . .
H9 H 0.868331 0.364580 0.545882 0.048 Uiso 1 1 calc R U . . .
C10 C 0.77405(19) 0.42744(9) 0.60659(8) 0.0362(3) Uani 1 1 d . . . . .
C11 C 0.34973(19) 0.46935(10) 0.57918(9) 0.0394(4) Uani 1 1 d . . . . .
H11A H 0.304796 0.440058 0.609541 0.059 Uiso 1 1 calc R U . . .
H11B H 0.280991 0.472155 0.534935 0.059 Uiso 1 1 calc R U . . .
H11C H 0.365678 0.514735 0.599024 0.059 Uiso 1 1 calc R U . . .
C12 C 0.6453(3) 0.31995(11) 0.44833(10) 0.0507(5) Uani 1 1 d . . . . .
H12A H 0.549508 0.294671 0.438125 0.076 Uiso 1 1 calc R U . . .
H12B H 0.730160 0.288208 0.460419 0.076 Uiso 1 1 calc R U . . .
H12C H 0.658125 0.346164 0.408289 0.076 Uiso 1 1 calc R U . . .
C13 C 0.9193(2) 0.44203(11) 0.65652(10) 0.0468(4) Uani 1 1 d . . . . .
H13A H 0.943064 0.490390 0.655288 0.070 Uiso 1 1 calc R U . . .
H13B H 1.002559 0.415583 0.644237 0.070 Uiso 1 1 calc R U . . .
H13C H 0.906424 0.429568 0.702420 0.070 Uiso 1 1 calc R U . . .
C14 C 0.5340(2) 0.48121(8) 0.83705(8) 0.0358(3) Uani 1 1 d . . . . .
C15 C 0.3808(2) 0.47126(9) 0.83826(9) 0.0414(4) Uani 1 1 d . . . . .
C16 C 0.3438(2) 0.43961(10) 0.89544(11) 0.0495(5) Uani 1 1 d . . . . .
H16 H 0.239854 0.432194 0.897155 0.059 Uiso 1 1 calc R U . . .
C17 C 0.4542(3) 0.41883(10) 0.94953(10) 0.0508(5) Uani 1 1 d . . . . .
C18 C 0.6049(3) 0.42845(11) 0.94596(9) 0.0504(5) Uani 1 1 d . . . . .
H18 H 0.681279 0.413776 0.982702 0.060 Uiso 1 1 calc R U . . .
C19 C 0.6484(2) 0.45908(10) 0.89001(9) 0.0438(4) Uani 1 1 d . . . . .
C20 C 0.2586(2) 0.48874(12) 0.77811(11) 0.0541(5) Uani 1 1 d . . . . .
H20A H 0.283851 0.531614 0.758287 0.081 Uiso 1 1 calc R U . . .
H20B H 0.160952 0.493226 0.792924 0.081 Uiso 1 1 calc R U . . .
H20C H 0.251386 0.452748 0.743978 0.081 Uiso 1 1 calc R U . . .
C21 C 0.4127(4) 0.38363(13) 1.01056(13) 0.0728(7) Uani 1 1 d . . . . .
H21A H 0.414977 0.334486 1.004072 0.109 Uiso 1 1 calc R U . . .
H21B H 0.310445 0.397486 1.015573 0.109 Uiso 1 1 calc R U . . .
H21C H 0.485922 0.396136 1.051543 0.109 Uiso 1 1 calc R U . . .
C22 C 0.8132(3) 0.46432(14) 0.88490(12) 0.0641(6) Uani 1 1 d . . . . .
H22A H 0.833606 0.434457 0.848622 0.096 Uiso 1 1 calc R U . . .
H22B H 0.876766 0.450751 0.928198 0.096 Uiso 1 1 calc R U . . .
H22C H 0.836794 0.511177 0.874560 0.096 Uiso 1 1 calc R U . . .
C23 C 0.19488(18) 0.27101(8) 0.73956(9) 0.0345(3) Uani 1 1 d . . . . .
C24 C 0.1401(2) 0.28692(10) 0.79807(11) 0.0447(4) Uani 1 1 d . . . . .
H24 H 0.209964 0.296251 0.838971 0.054 Uiso 1 1 calc R U . . .
C25 C -0.0159(2) 0.28942(11) 0.79783(12) 0.0542(5) Uani 1 1 d . . . . .
H25 H -0.051007 0.300293 0.838371 0.065 Uiso 1 1 calc R U . . .
C26 C -0.1185(2) 0.27622(10) 0.73918(13) 0.0537(5) Uani 1 1 d . . . . .
H26 H -0.224453 0.278089 0.739029 0.064 Uiso 1 1 calc R U . . .
C27 C -0.0670(2) 0.26015(11) 0.68015(12) 0.0526(5) Uani 1 1 d . . . . .
H27 H -0.137807 0.250778 0.639520 0.063 Uiso 1 1 calc R U . . .
C28 C 0.0881(2) 0.25775(9) 0.68038(10) 0.0423(4) Uani 1 1 d . . . . .
H28 H 0.122190 0.246906 0.639601 0.051 Uiso 1 1 calc R U . . .
C29 C 0.44081(17) 0.21146(8) 0.66577(8) 0.0322(3) Uani 1 1 d . . . . .
C30 C 0.5294(2) 0.23230(9) 0.61966(9) 0.0409(4) Uani 1 1 d . . . . .
H30 H 0.573028 0.276312 0.623948 0.049 Uiso 1 1 calc R U . . .
C31 C 0.5557(2) 0.19048(11) 0.56767(10) 0.0510(5) Uani 1 1 d . . . . .
H31 H 0.617278 0.205806 0.537015 0.061 Uiso 1 1 calc R U . . .
C32 C 0.4928(2) 0.12683(11) 0.56035(10) 0.0507(5) Uani 1 1 d . . . . .
H32 H 0.512700 0.097715 0.525334 0.061 Uiso 1 1 calc R U . . .
C33 C 0.4011(2) 0.10541(10) 0.60385(10) 0.0480(4) Uani 1 1 d . . . . .
H33 H 0.355559 0.061824 0.598289 0.058 Uiso 1 1 calc R U . . .
C34 C 0.3749(2) 0.14740(9) 0.65585(10) 0.0417(4) Uani 1 1 d . . . . .
H34 H 0.310698 0.132183 0.685400 0.050 Uiso 1 1 calc R U . . .
C35 C 0.49837(19) 0.22657(8) 0.82735(9) 0.0353(3) Uani 1 1 d . . . . .
C36 C 0.6049(2) 0.25930(11) 0.87602(11) 0.0504(4) Uani 1 1 d . . . . .
H36 H 0.643085 0.302032 0.865424 0.060 Uiso 1 1 calc R U . . .
C37 C 0.6573(3) 0.23129(15) 0.93998(12) 0.0649(6) Uani 1 1 d . . . . .
H37 H 0.729627 0.255153 0.972328 0.078 Uiso 1 1 calc R U . . .
C38 C 0.6053(3) 0.16974(13) 0.95640(12) 0.0606(6) Uani 1 1 d . . . . .
H38 H 0.640113 0.150876 1.000210 0.073 Uiso 1 1 calc R U . . .
C39 C 0.5019(3) 0.13529(12) 0.90894(13) 0.0597(6) Uani 1 1 d . . . . .
H39 H 0.466538 0.092047 0.919721 0.072 Uiso 1 1 calc R U . . .
C40 C 0.4488(2) 0.16348(10) 0.84510(10) 0.0470(4) Uani 1 1 d . . . . .
H40 H 0.377032 0.139076 0.812955 0.056 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 0.0181 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'
Cu Cu -1.9646 0.5888 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C23 Ge1 Cu1 116.44(4) . . ?
C23 Ge1 C29 103.40(7) . . ?
C23 Ge1 C35 101.30(7) . . ?
C29 Ge1 Cu1 113.28(5) . . ?
C29 Ge1 C35 106.98(7) . . ?
C35 Ge1 Cu1 114.11(5) . . ?
C1 Cu1 Ge1 173.48(5) . . ?
C1 N1 C2 124.73(14) . . ?
C1 N1 C14 116.78(13) . . ?
C14 N1 C2 118.42(13) . . ?
C1 N2 C4 124.09(14) . . ?
C1 N2 C5 117.51(13) . . ?
C5 N2 C4 118.38(13) . . ?
N1 C1 Cu1 117.55(11) . . ?
N1 C1 N2 118.25(14) . . ?
N2 C1 Cu1 124.07(11) . . ?
N1 C2 H2A 109.9 . . ?
N1 C2 H2B 109.9 . . ?
N1 C2 C3 109.06(15) . . ?
H2A C2 H2B 108.3 . . ?
C3 C2 H2A 109.9 . . ?
C3 C2 H2B 109.9 . . ?
C2 C3 H3A 109.8 . . ?
C2 C3 H3B 109.8 . . ?
H3A C3 H3B 108.3 . . ?
C4 C3 C2 109.23(16) . . ?
C4 C3 H3A 109.8 . . ?
C4 C3 H3B 109.8 . . ?
N2 C4 C3 109.37(14) . . ?
N2 C4 H4A 109.8 . . ?
N2 C4 H4B 109.8 . . ?
C3 C4 H4A 109.8 . . ?
C3 C4 H4B 109.8 . . ?
H4A C4 H4B 108.2 . . ?
C6 C5 N2 119.48(15) . . ?
C6 C5 C10 121.46(15) . . ?
C10 C5 N2 119.04(14) . . ?
C5 C6 C11 121.77(15) . . ?
C7 C6 C5 117.95(15) . . ?
C7 C6 C11 120.27(15) . . ?
C6 C7 H7 118.9 . . ?
C8 C7 C6 122.19(15) . . ?
C8 C7 H7 118.9 . . ?
C7 C8 C9 118.41(16) . . ?
C7 C8 C12 120.71(17) . . ?
C9 C8 C12 120.88(17) . . ?
C8 C9 H9 119.2 . . ?
C8 C9 C10 121.66(17) . . ?
C10 C9 H9 119.2 . . ?
C5 C10 C13 121.30(16) . . ?
C9 C10 C5 118.32(15) . . ?
C9 C10 C13 120.34(16) . . ?
C6 C11 H11A 109.5 . . ?
C6 C11 H11B 109.5 . . ?
C6 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 N1 120.24(16) . . ?
C15 C14 C19 121.71(16) . . ?
C19 C14 N1 117.99(16) . . ?
C14 C15 C16 117.78(18) . . ?
C14 C15 C20 121.54(17) . . ?
C16 C15 C20 120.52(19) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 C15 121.89(19) . . ?
C17 C16 H16 119.1 . . ?
C16 C17 C21 121.4(2) . . ?
C18 C17 C16 118.66(18) . . ?
C18 C17 C21 119.9(2) . . ?
C17 C18 H18 119.0 . . ?
C17 C18 C19 121.90(19) . . ?
C19 C18 H18 119.0 . . ?
C14 C19 C22 120.97(17) . . ?
C18 C19 C14 118.02(18) . . ?
C18 C19 C22 120.91(18) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 Ge1 120.06(14) . . ?
C24 C23 C28 117.53(16) . . ?
C28 C23 Ge1 122.26(13) . . ?
C23 C24 H24 119.4 . . ?
C23 C24 C25 121.2(2) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.2(2) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.83(18) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0(2) . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 119.4 . . ?
C27 C28 C23 121.23(19) . . ?
C27 C28 H28 119.4 . . ?
C30 C29 Ge1 118.46(12) . . ?
C30 C29 C34 116.99(16) . . ?
C34 C29 Ge1 124.55(13) . . ?
C29 C30 H30 119.2 . . ?
C31 C30 C29 121.60(17) . . ?
C31 C30 H30 119.2 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.06(19) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.79(19) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.00(18) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 119.3 . . ?
C33 C34 C29 121.50(18) . . ?
C33 C34 H34 119.3 . . ?
C36 C35 Ge1 119.14(14) . . ?
C36 C35 C40 116.60(17) . . ?
C40 C35 Ge1 124.12(14) . . ?
C35 C36 H36 119.1 . . ?
C35 C36 C37 121.9(2) . . ?
C37 C36 H36 119.1 . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.3(2) . . ?
C38 C37 H37 119.8 . . ?
C37 C38 H38 120.3 . . ?
C37 C38 C39 119.4(2) . . ?
C39 C38 H38 120.3 . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.3(2) . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 121.5(2) . . ?
C35 C40 H40 119.2 . . ?
C39 C40 H40 119.2 . . ?
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 Cu1 2.3045(3) . ?
Ge1 C23 1.9807(16) . ?
Ge1 C29 1.9817(16) . ?
Ge1 C35 1.9922(17) . ?
Cu1 C1 1.9340(15) . ?
N1 C1 1.335(2) . ?
N1 C2 1.476(2) . ?
N1 C14 1.443(2) . ?
N2 C1 1.335(2) . ?
N2 C4 1.474(2) . ?
N2 C5 1.441(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.520(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.514(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.397(2) . ?
C5 C10 1.397(2) . ?
C6 C7 1.391(2) . ?
C6 C11 1.509(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.384(3) . ?
C8 C9 1.389(3) . ?
C8 C12 1.506(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(3) . ?
C10 C13 1.510(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.392(3) . ?
C14 C19 1.397(3) . ?
C15 C16 1.400(3) . ?
C15 C20 1.506(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(3) . ?
C17 C18 1.379(3) . ?
C17 C21 1.513(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.393(3) . ?
C19 C22 1.504(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.391(3) . ?
C23 C28 1.400(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.398(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.372(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.390(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.391(2) . ?
C29 C34 1.394(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.385(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.374(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.374(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.386(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(3) . ?
C35 C40 1.392(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.393(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.365(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.375(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.393(3) . ?
C40 H40 0.9500 . ?
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 C23 C24 C25 175.94(15) . . . . ?
Ge1 C23 C28 C27 -175.93(14) . . . . ?
Ge1 C29 C30 C31 177.86(15) . . . . ?
Ge1 C29 C34 C33 -177.85(14) . . . . ?
Ge1 C35 C36 C37 174.62(17) . . . . ?
Ge1 C35 C40 C39 -174.78(15) . . . . ?
N1 C2 C3 C4 52.2(2) . . . . ?
N1 C14 C15 C16 178.76(15) . . . . ?
N1 C14 C15 C20 3.5(3) . . . . ?
N1 C14 C19 C18 -179.43(16) . . . . ?
N1 C14 C19 C22 -3.1(3) . . . . ?
N2 C5 C6 C7 -177.67(14) . . . . ?
N2 C5 C6 C11 0.7(2) . . . . ?
N2 C5 C10 C9 178.12(14) . . . . ?
N2 C5 C10 C13 0.4(2) . . . . ?
C1 N1 C2 C3 -25.8(3) . . . . ?
C1 N1 C14 C15 -82.9(2) . . . . ?
C1 N1 C14 C19 94.35(19) . . . . ?
C1 N2 C4 C3 28.2(2) . . . . ?
C1 N2 C5 C6 79.05(19) . . . . ?
C1 N2 C5 C10 -99.46(18) . . . . ?
C2 N1 C1 Cu1 -177.58(14) . . . . ?
C2 N1 C1 N2 -1.6(3) . . . . ?
C2 N1 C14 C15 100.0(2) . . . . ?
C2 N1 C14 C19 -82.7(2) . . . . ?
C2 C3 C4 N2 -53.5(2) . . . . ?
C4 N2 C1 Cu1 176.07(13) . . . . ?
C4 N2 C1 N1 0.4(2) . . . . ?
C4 N2 C5 C6 -99.53(18) . . . . ?
C4 N2 C5 C10 81.96(19) . . . . ?
C5 N2 C1 Cu1 -2.4(2) . . . . ?
C5 N2 C1 N1 -178.10(14) . . . . ?
C5 N2 C4 C3 -153.28(16) . . . . ?
C5 C6 C7 C8 -0.7(2) . . . . ?
C6 C5 C10 C9 -0.4(2) . . . . ?
C6 C5 C10 C13 -178.06(16) . . . . ?
C6 C7 C8 C9 0.2(3) . . . . ?
C6 C7 C8 C12 -179.42(16) . . . . ?
C7 C8 C9 C10 0.3(3) . . . . ?
C8 C9 C10 C5 -0.2(3) . . . . ?
C8 C9 C10 C13 177.52(17) . . . . ?
C10 C5 C6 C7 0.8(2) . . . . ?
C10 C5 C6 C11 179.21(15) . . . . ?
C11 C6 C7 C8 -179.14(16) . . . . ?
C12 C8 C9 C10 179.89(17) . . . . ?
C14 N1 C1 Cu1 5.53(19) . . . . ?
C14 N1 C1 N2 -178.51(15) . . . . ?
C14 N1 C2 C3 151.04(16) . . . . ?
C14 C15 C16 C17 0.3(3) . . . . ?
C15 C14 C19 C18 -2.2(3) . . . . ?
C15 C14 C19 C22 174.16(19) . . . . ?
C15 C16 C17 C18 -1.4(3) . . . . ?
C15 C16 C17 C21 -178.99(19) . . . . ?
C16 C17 C18 C19 0.8(3) . . . . ?
C17 C18 C19 C14 1.0(3) . . . . ?
C17 C18 C19 C22 -175.4(2) . . . . ?
C19 C14 C15 C16 1.6(3) . . . . ?
C19 C14 C15 C20 -173.69(17) . . . . ?
C20 C15 C16 C17 175.58(18) . . . . ?
C21 C17 C18 C19 178.4(2) . . . . ?
C23 C24 C25 C26 -0.1(3) . . . . ?
C24 C23 C28 C27 -0.2(3) . . . . ?
C24 C25 C26 C27 0.2(3) . . . . ?
C25 C26 C27 C28 -0.3(3) . . . . ?
C26 C27 C28 C23 0.3(3) . . . . ?
C28 C23 C24 C25 0.1(3) . . . . ?
C29 C30 C31 C32 0.4(3) . . . . ?
C30 C29 C34 C33 2.3(3) . . . . ?
C30 C31 C32 C33 1.5(3) . . . . ?
C31 C32 C33 C34 -1.4(3) . . . . ?
C32 C33 C34 C29 -0.5(3) . . . . ?
C34 C29 C30 C31 -2.3(3) . . . . ?
C35 C36 C37 C38 0.5(4) . . . . ?
C36 C35 C40 C39 1.0(3) . . . . ?
C36 C37 C38 C39 0.7(3) . . . . ?
C37 C38 C39 C40 -1.1(3) . . . . ?
C38 C39 C40 C35 0.3(3) . . . . ?
C40 C35 C36 C37 -1.3(3) . . . . ?
