#------------------------------------------------------------------------------
#$Date: 2018-08-07 14:15:35 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209433 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/93/7119389.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_7119389
loop_
_publ_author_name
'Swamy, V. S. V. S. N.'
'Yadav, Sandeep'
'Pal, Shiv'
'Das, Tamal'
'Vanka, Kumar'
'Sen, Sakya S.'
_publ_section_title
;
 Facile access to a Ge(II) dication stabilized by isocyanides
;
_journal_issue                   50
_journal_name_full               'Chemical Communications'
_journal_page_first              7890
_journal_page_last               7892
_journal_paper_doi               10.1039/c6cc03789e
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C36 H36 Cl6 Ge N4 2(Ge Cl3)'
_chemical_formula_sum            'C36 H36 Cl6 Ge3 N4'
_chemical_formula_weight         955.16
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2016-04-11 deposited with the CCDC.
2016-05-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.298(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4771(5)
_cell_length_b                   16.9192(9)
_cell_length_c                   25.2949(14)
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.66
_cell_measurement_theta_min      2.41
_cell_volume                     4052.6(4)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop diffractometer'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.951
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            155326
_diffrn_reflns_point_group_measured_fraction_full 0.951
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.854
_diffrn_reflns_theta_min         2.151
_exptl_absorpt_coefficient_mu    2.638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick,G.M.(2012) SADABS.Bruker AXS Inc.,Madison,Wisconsin, USA.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   1.0000
_exptl_transmission_factor_min   0.8279
_refine_diff_density_max         1.860
_refine_diff_density_min         -0.507
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6987
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²+9.1767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
_refine_ls_wR_factor_ref         0.1005
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5426
_reflns_number_total             6987
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc03789e2.cif
_cod_data_source_block           mo_SWAMI_0m_P21_c
_cod_database_code               7119389
_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_min   0.760
_shelx_estimated_absorpt_t_max   0.778
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge2 Ge 0.47448(5) 1.00682(3) 0.76790(2) 0.03100(18) Uani 0.9373(18) 1 d . . P A
1
Ge1 Ge 0.50109(5) 0.74282(3) 0.85110(2) 0.02848(13) Uani 1 1 d . . . . .
Ge3 Ge 0.01739(6) 0.71462(3) 0.97630(2) 0.0348(2) Uani 0.9163(18) 1 d . . P B 1
Cl1 Cl 0.39221(12) 0.88266(7) 0.74808(5) 0.0475(3) Uani 1 1 d . . . . .
Cl2 Cl 0.69928(13) 0.98011(7) 0.75053(7) 0.0577(4) Uani 1 1 d . . . . .
Cl3 Cl 0.41603(12) 1.06084(7) 0.68617(4) 0.0368(3) Uani 1 1 d . . . . .
Cl4 Cl -0.15448(12) 0.77985(8) 0.92785(5) 0.0494(3) Uani 1 1 d . . . . .
Cl5 Cl 0.06815(14) 0.81403(9) 1.03347(5) 0.0558(4) Uani 1 1 d . . . . .
Cl6 Cl 0.20118(12) 0.74225(8) 0.92314(4) 0.0422(3) Uani 1 1 d . . . . .
N1 N 0.2366(3) 0.67841(19) 0.78351(13) 0.0239(7) Uani 1 1 d . . . . .
N2 N 0.5655(4) 0.63788(19) 0.95374(13) 0.0250(8) Uani 1 1 d . . . . .
N3 N 0.7392(3) 0.77474(19) 0.76912(13) 0.0235(7) Uani 1 1 d . . . . .
N4 N 0.4549(4) 0.9154(2) 0.89989(13) 0.0263(8) Uani 1 1 d . . . . .
C1 C 0.3298(4) 0.7033(2) 0.80799(15) 0.0240(9) Uani 1 1 d . . . . .
C10 C 0.1233(4) 0.6478(2) 0.75201(16) 0.0244(9) Uani 1 1 d . . . . .
C19 C 0.1301(4) 0.6565(2) 0.69719(16) 0.0256(9) Uani 1 1 d . . . . .
C28 C 0.0191(4) 0.6248(3) 0.66727(17) 0.0327(10) Uani 1 1 d . . . . .
H6 H 0.0182 0.6296 0.6298 0.039 Uiso 1 1 calc R U . . .
C5 C -0.0905(5) 0.5862(3) 0.69045(18) 0.0378(11) Uani 1 1 d . . . . .
H5 H -0.1657 0.5651 0.6689 0.045 Uiso 1 1 calc R U . . .
C6 C -0.0922(4) 0.5778(3) 0.74434(18) 0.0347(11) Uani 1 1 d . . . . .
H4 H -0.1679 0.5502 0.7596 0.042 Uiso 1 1 calc R U . . .
C7 C 0.0148(4) 0.6090(2) 0.77683(16) 0.0280(9) Uani 1 1 d . . . . .
C8 C 0.0124(5) 0.5989(3) 0.83564(17) 0.0444(12) Uani 1 1 d . . . . .
H1 H -0.0834 0.6086 0.8474 0.067 Uiso 1 1 calc R U . . .
H3 H 0.0779 0.6365 0.8529 0.067 Uiso 1 1 calc R U . . .
H2 H 0.0410 0.5449 0.8451 0.067 Uiso 1 1 calc R U . . .
C9 C 0.2542(5) 0.6951(3) 0.67274(17) 0.0349(11) Uani 1 1 d . . . . .
H9 H 0.3373 0.6608 0.6772 0.052 Uiso 1 1 calc R U . . .
H7 H 0.2735 0.7460 0.6901 0.052 Uiso 1 1 calc R U . . .
H8 H 0.2331 0.7037 0.6349 0.052 Uiso 1 1 calc R U . . .
C2 C 0.5428(4) 0.6735(2) 0.91601(16) 0.0247(9) Uani 1 1 d . . . . .
C11 C 0.6002(4) 0.5949(2) 1.00014(15) 0.0250(9) Uani 1 1 d . . . . .
C12 C 0.5220(4) 0.6089(2) 1.04488(16) 0.0273(9) Uani 1 1 d . . . . .
C13 C 0.5603(5) 0.5665(3) 1.09001(17) 0.0342(10) Uani 1 1 d . . . . .
H10 H 0.5101 0.5742 1.1214 0.041 Uiso 1 1 calc R U . . .
C14 C 0.6704(5) 0.5130(3) 1.09008(18) 0.0399(11) Uani 1 1 d . . . . .
H11 H 0.6951 0.4846 1.1215 0.048 Uiso 1 1 calc R U . . .
C15 C 0.7448(5) 0.5004(3) 1.04530(18) 0.0363(11) Uani 1 1 d . . . . .
H12 H 0.8201 0.4633 1.0463 0.044 Uiso 1 1 calc R U . . .
C16 C 0.7117(4) 0.5412(2) 0.99831(16) 0.0295(10) Uani 1 1 d . . . . .
C17 C 0.7897(5) 0.5279(3) 0.94875(18) 0.0383(11) Uani 1 1 d . . . . .
H13 H 0.8278 0.5783 0.9366 0.057 Uiso 1 1 calc R U . . .
H15 H 0.7249 0.5061 0.9213 0.057 Uiso 1 1 calc R U . . .
H14 H 0.8673 0.4907 0.9559 0.057 Uiso 1 1 calc R U . . .
C18 C 0.4000(5) 0.6657(3) 1.04440(18) 0.0374(11) Uani 1 1 d . . . . .
H16 H 0.3604 0.6674 1.0796 0.056 Uiso 1 1 calc R U . . .
H18 H 0.3271 0.6482 1.0184 0.056 Uiso 1 1 calc R U . . .
H17 H 0.4329 0.7185 1.0349 0.056 Uiso 1 1 calc R U . . .
C3 C 0.6626(4) 0.7592(2) 0.80102(15) 0.0223(9) Uani 1 1 d . . . . .
C20 C 0.8238(4) 0.7973(2) 0.72721(16) 0.0250(9) Uani 1 1 d . . . . .
C21 C 0.7707(4) 0.7809(3) 0.67584(17) 0.0313(10) Uani 1 1 d . . . . .
C22 C 0.8512(5) 0.8065(3) 0.63506(18) 0.0388(11) Uani 1 1 d . . . . .
H24 H 0.8202 0.7965 0.5995 0.047 Uiso 1 1 calc R U . . .
C23 C 0.9768(5) 0.8469(3) 0.64523(19) 0.0431(12) Uani 1 1 d . . . . .
H19 H 1.0301 0.8645 0.6165 0.052 Uiso 1 1 calc R U . . .
C24 C 1.0252(5) 0.8616(3) 0.69593(19) 0.0369(11) Uani 1 1 d . . . . .
H23 H 1.1118 0.8892 0.7019 0.044 Uiso 1 1 calc R U . . .
C25 C 0.9497(4) 0.8368(2) 0.73876(17) 0.0295(10) Uani 1 1 d . . . . .
C26 C 0.9991(5) 0.8530(3) 0.79482(18) 0.0397(11) Uani 1 1 d . . . . .
H20 H 0.9425 0.8957 0.8093 0.060 Uiso 1 1 calc R U . . .
H21 H 1.0987 0.8687 0.7956 0.060 Uiso 1 1 calc R U . . .
H22 H 0.9884 0.8052 0.8161 0.060 Uiso 1 1 calc R U . . .
C27 C 0.6338(5) 0.7385(3) 0.66657(19) 0.0437(12) Uani 1 1 d . . . . .
H26 H 0.6182 0.7285 0.6286 0.066 Uiso 1 1 calc R U . . .
H27 H 0.5567 0.7712 0.6793 0.066 Uiso 1 1 calc R U . . .
H25 H 0.6367 0.6882 0.6857 0.066 Uiso 1 1 calc R U . . .
C4 C 0.4690(4) 0.8539(3) 0.88218(16) 0.0278(9) Uani 1 1 d . . . . .
C29 C 0.4413(5) 0.9908(2) 0.92292(15) 0.0277(10) Uani 1 1 d . . . . .
C30 C 0.3065(5) 1.0145(3) 0.93649(16) 0.0319(10) Uani 1 1 d . . . . .
C31 C 0.1794(5) 0.9632(3) 0.9278(2) 0.0449(12) Uani 1 1 d . . . . .
H29 H 0.1853 0.9182 0.9522 0.067 Uiso 1 1 calc R U . . .
H30 H 0.1755 0.9438 0.8912 0.067 Uiso 1 1 calc R U . . .
H31 H 0.0941 0.9939 0.9342 0.067 Uiso 1 1 calc R U . . .
C32 C 0.2979(5) 1.0887(3) 0.96026(17) 0.0375(11) Uani 1 1 d . . . . .
H32 H 0.2088 1.1083 0.9702 0.045 Uiso 1 1 calc R U . . .
C33 C 0.4171(5) 1.1336(3) 0.96942(17) 0.0378(11) Uani 1 1 d . . . . .
H33 H 0.4089 1.1836 0.9862 0.045 Uiso 1 1 calc R U . . .
C34 C 0.5481(5) 1.1082(2) 0.95502(16) 0.0337(10) Uani 1 1 d . . . . .
H34 H 0.6284 1.1409 0.9617 0.040 Uiso 1 1 calc R U . . .
C35 C 0.5640(5) 1.0352(2) 0.93087(16) 0.0294(10) Uani 1 1 d . . . . .
C36 C 0.7043(5) 1.0063(3) 0.91388(19) 0.0387(11) Uani 1 1 d . . . . .
H37 H 0.7050 1.0054 0.8752 0.058 Uiso 1 1 calc R U . . .
H36 H 0.7211 0.9528 0.9277 0.058 Uiso 1 1 calc R U . . .
H35 H 0.7788 1.0417 0.9277 0.058 Uiso 1 1 calc R U . . .
Ge3A Ge 0.0338(6) 0.7843(4) 0.9858(2) 0.041(2) Uani 0.0837(18) 1 d . . P B 2
Ge2A Ge 0.5676(10) 0.9835(6) 0.7344(5) 0.065(4) Uani 0.0627(18) 1 d . . P A 2
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'
Cl Cl 0.1484 0.1585 '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'
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
Cl2 Ge2 Cl1 95.17(5) . .
Cl2 Ge2 Cl3 95.75(5) . .
Cl1 Ge2 Cl3 95.73(5) . .
C1 Ge1 C2 111.51(15) . .
C1 Ge1 C3 108.29(15) . .
C2 Ge1 C3 116.73(16) . .
C1 Ge1 C4 112.16(16) . .
C2 Ge1 C4 104.10(15) . .
C3 Ge1 C4 103.78(16) . .
Cl5 Ge3 Cl4 96.48(5) . .
Cl5 Ge3 Cl6 94.39(5) . .
Cl4 Ge3 Cl6 97.42(5) . .
C1 N1 C10 178.5(4) . .
C2 N2 C11 177.4(4) . .
C3 N3 C20 174.9(4) . .
C4 N4 C29 178.2(4) . .
N1 C1 Ge1 177.3(4) . .
C7 C10 C19 124.2(4) . .
C7 C10 N1 118.6(4) . .
C19 C10 N1 117.2(4) . .
C28 C19 C10 116.0(4) . .
C28 C19 C9 122.4(4) . .
C10 C19 C9 121.5(4) . .
C5 C28 C19 121.5(4) . .
C5 C28 H6 119.3 . .
C19 C28 H6 119.3 . .
C6 C5 C28 120.7(4) . .
C6 C5 H5 119.6 . .
C28 C5 H5 119.6 . .
C5 C6 C7 120.9(4) . .
C5 C6 H4 119.6 . .
C7 C6 H4 119.6 . .
C6 C7 C10 116.7(4) . .
C6 C7 C8 120.4(4) . .
C10 C7 C8 122.9(4) . .
C7 C8 H1 109.5 . .
C7 C8 H3 109.5 . .
H1 C8 H3 109.5 . .
C7 C8 H2 109.5 . .
H1 C8 H2 109.5 . .
H3 C8 H2 109.5 . .
C19 C9 H9 109.5 . .
C19 C9 H7 109.5 . .
H9 C9 H7 109.5 . .
C19 C9 H8 109.5 . .
H9 C9 H8 109.5 . .
H7 C9 H8 109.5 . .
N2 C2 Ge1 176.7(3) . .
C16 C11 C12 124.3(4) . .
C16 C11 N2 117.4(4) . .
C12 C11 N2 118.3(4) . .
C13 C12 C11 116.8(4) . .
C13 C12 C18 120.9(4) . .
C11 C12 C18 122.3(4) . .
C14 C13 C12 120.9(4) . .
C14 C13 H10 119.5 . .
C12 C13 H10 119.5 . .
C15 C14 C13 120.9(4) . .
C15 C14 H11 119.6 . .
C13 C14 H11 119.6 . .
C14 C15 C16 121.2(4) . .
C14 C15 H12 119.4 . .
C16 C15 H12 119.4 . .
C11 C16 C15 115.9(4) . .
C11 C16 C17 121.7(4) . .
C15 C16 C17 122.4(4) . .
C16 C17 H13 109.5 . .
C16 C17 H15 109.5 . .
H13 C17 H15 109.5 . .
C16 C17 H14 109.5 . .
H13 C17 H14 109.5 . .
H15 C17 H14 109.5 . .
C12 C18 H16 109.5 . .
C12 C18 H18 109.5 . .
H16 C18 H18 109.5 . .
C12 C18 H17 109.5 . .
H16 C18 H17 109.5 . .
H18 C18 H17 109.5 . .
N3 C3 Ge1 170.3(3) . .
C25 C20 C21 124.3(4) . .
C25 C20 N3 118.9(4) . .
C21 C20 N3 116.8(4) . .
C22 C21 C20 116.3(4) . .
C22 C21 C27 122.5(4) . .
C20 C21 C27 121.2(4) . .
C21 C22 C23 120.9(4) . .
C21 C22 H24 119.6 . .
C23 C22 H24 119.6 . .
C24 C23 C22 121.1(4) . .
C24 C23 H19 119.4 . .
C22 C23 H19 119.4 . .
C23 C24 C25 120.9(4) . .
C23 C24 H23 119.6 . .
C25 C24 H23 119.6 . .
C24 C25 C20 116.6(4) . .
C24 C25 C26 122.1(4) . .
C20 C25 C26 121.3(4) . .
C25 C26 H20 109.5 . .
C25 C26 H21 109.5 . .
H20 C26 H21 109.5 . .
C25 C26 H22 109.5 . .
H20 C26 H22 109.5 . .
H21 C26 H22 109.5 . .
C21 C27 H26 109.5 . .
C21 C27 H27 109.5 . .
H26 C27 H27 109.5 . .
C21 C27 H25 109.5 . .
H26 C27 H25 109.5 . .
H27 C27 H25 109.5 . .
N4 C4 Ge1 178.1(4) . .
C35 C29 C30 125.2(4) . .
C35 C29 N4 117.3(4) . .
C30 C29 N4 117.5(4) . .
C32 C30 C29 115.8(4) . .
C32 C30 C31 121.7(4) . .
C29 C30 C31 122.5(4) . .
C30 C31 H29 109.5 . .
C30 C31 H30 109.5 . .
H29 C31 H30 109.5 . .
C30 C31 H31 109.5 . .
H29 C31 H31 109.5 . .
H30 C31 H31 109.5 . .
C33 C32 C30 120.5(4) . .
C33 C32 H32 119.7 . .
C30 C32 H32 119.7 . .
C32 C33 C34 121.8(4) . .
C32 C33 H33 119.1 . .
C34 C33 H33 119.1 . .
C33 C34 C35 120.6(4) . .
C33 C34 H34 119.7 . .
C35 C34 H34 119.7 . .
C34 C35 C29 116.1(4) . .
C34 C35 C36 122.0(4) . .
C29 C35 C36 121.9(4) . .
C35 C36 H37 109.5 . .
C35 C36 H36 109.5 . .
H37 C36 H36 109.5 . .
C35 C36 H35 109.5 . .
H37 C36 H35 109.5 . .
H36 C36 H35 109.5 . .
Cl5 Ge3A Cl4 139.0(4) . .
Cl5 Ge3A Cl6 124.5(4) . .
Cl4 Ge3A Cl6 95.0(2) . .
Cl2 Ge2A Cl3 140.8(7) . .
Cl2 Ge2A Cl1 125.6(7) . .
Cl3 Ge2A Cl1 93.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge2 Cl2 2.2386(14) .
Ge2 Cl1 2.2894(13) .
Ge2 Cl3 2.3076(12) .
Ge1 C1 2.033(4) .
Ge1 C2 2.044(4) .
Ge1 C3 2.044(4) .
Ge1 C4 2.065(5) .
Ge3 Cl5 2.2574(14) .
Ge3 Cl4 2.2833(14) .
Ge3 Cl6 2.2909(12) .
Cl1 Ge2A 2.416(10) .
Cl2 Ge2A 1.298(10) .
Cl3 Ge2A 2.265(11) .
Cl4 Ge3A 2.265(6) .
Cl5 Ge3A 1.334(6) .
Cl6 Ge3A 2.395(6) .
N1 C1 1.138(5) .
N1 C10 1.409(5) .
N2 C2 1.142(5) .
N2 C11 1.408(5) .
N3 C3 1.138(5) .
N3 C20 1.407(5) .
N4 C4 1.142(5) .
N4 C29 1.411(5) .
C10 C7 1.391(6) .
C10 C19 1.398(6) .
C19 C28 1.380(6) .
C19 C9 1.500(6) .
C28 C5 1.378(6) .
C28 H6 0.9500 .
C5 C6 1.371(6) .
C5 H5 0.9500 .
C6 C7 1.384(6) .
C6 H4 0.9500 .
C7 C8 1.498(6) .
C8 H1 0.9800 .
C8 H3 0.9800 .
C8 H2 0.9800 .
C9 H9 0.9800 .
C9 H7 0.9800 .
C9 H8 0.9800 .
C11 C16 1.396(6) .
C11 C12 1.397(6) .
C12 C13 1.384(6) .
C12 C18 1.504(6) .
C13 C14 1.380(6) .
C13 H10 0.9500 .
C14 C15 1.375(7) .
C14 H11 0.9500 .
C15 C16 1.399(6) .
C15 H12 0.9500 .
C16 C17 1.497(6) .
C17 H13 0.9800 .
C17 H15 0.9800 .
C17 H14 0.9800 .
C18 H16 0.9800 .
C18 H18 0.9800 .
C18 H17 0.9800 .
C20 C25 1.389(6) .
C20 C21 1.402(6) .
C21 C22 1.377(6) .
C21 C27 1.492(6) .
C22 C23 1.387(7) .
C22 H24 0.9500 .
C23 C24 1.368(7) .
C23 H19 0.9500 .
C24 C25 1.387(6) .
C24 H23 0.9500 .
C25 C26 1.501(6) .
C26 H20 0.9800 .
C26 H21 0.9800 .
C26 H22 0.9800 .
C27 H26 0.9800 .
C27 H27 0.9800 .
C27 H25 0.9800 .
C29 C35 1.393(6) .
C29 C30 1.395(6) .
C30 C32 1.395(6) .
C30 C31 1.494(7) .
C31 H29 0.9800 .
C31 H30 0.9800 .
C31 H31 0.9800 .
C32 C33 1.374(7) .
C32 H32 0.9500 .
C33 C34 1.377(6) .
C33 H33 0.9500 .
C34 C35 1.388(6) .
C34 H34 0.9500 .
C35 C36 1.496(6) .
C36 H37 0.9800 .
C36 H36 0.9800 .
C36 H35 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
C7 C10 C19 C28 1.1(6) . . . .
N1 C10 C19 C28 178.9(4) . . . .
C7 C10 C19 C9 -176.5(4) . . . .
N1 C10 C19 C9 1.3(6) . . . .
C10 C19 C28 C5 -0.8(6) . . . .
C9 C19 C28 C5 176.8(4) . . . .
C19 C28 C5 C6 -0.2(7) . . . .
C28 C5 C6 C7 1.0(7) . . . .
C5 C6 C7 C10 -0.8(6) . . . .
C5 C6 C7 C8 -179.5(4) . . . .
C19 C10 C7 C6 -0.3(6) . . . .
N1 C10 C7 C6 -178.1(4) . . . .
C19 C10 C7 C8 178.4(4) . . . .
N1 C10 C7 C8 0.6(6) . . . .
C16 C11 C12 C13 0.5(6) . . . .
N2 C11 C12 C13 -179.1(3) . . . .
C16 C11 C12 C18 -178.2(4) . . . .
N2 C11 C12 C18 2.3(6) . . . .
C11 C12 C13 C14 -0.1(6) . . . .
C18 C12 C13 C14 178.6(4) . . . .
C12 C13 C14 C15 -0.1(7) . . . .
C13 C14 C15 C16 0.1(7) . . . .
C12 C11 C16 C15 -0.6(6) . . . .
N2 C11 C16 C15 179.0(4) . . . .
C12 C11 C16 C17 178.9(4) . . . .
N2 C11 C16 C17 -1.5(6) . . . .
C14 C15 C16 C11 0.3(6) . . . .
C14 C15 C16 C17 -179.2(4) . . . .
C25 C20 C21 C22 -0.1(6) . . . .
N3 C20 C21 C22 177.1(4) . . . .
C25 C20 C21 C27 -179.6(4) . . . .
N3 C20 C21 C27 -2.4(6) . . . .
C20 C21 C22 C23 -0.5(6) . . . .
C27 C21 C22 C23 178.9(4) . . . .
C21 C22 C23 C24 0.7(7) . . . .
C22 C23 C24 C25 -0.2(7) . . . .
C23 C24 C25 C20 -0.4(6) . . . .
C23 C24 C25 C26 -179.2(4) . . . .
C21 C20 C25 C24 0.6(6) . . . .
N3 C20 C25 C24 -176.6(4) . . . .
C21 C20 C25 C26 179.4(4) . . . .
N3 C20 C25 C26 2.3(6) . . . .
C35 C29 C30 C32 -0.6(6) . . . .
N4 C29 C30 C32 178.6(3) . . . .
C35 C29 C30 C31 -178.8(4) . . . .
N4 C29 C30 C31 0.4(6) . . . .
C29 C30 C32 C33 -0.4(6) . . . .
C31 C30 C32 C33 177.8(4) . . . .
C30 C32 C33 C34 1.0(7) . . . .
C32 C33 C34 C35 -0.5(7) . . . .
C33 C34 C35 C29 -0.4(6) . . . .
C33 C34 C35 C36 179.0(4) . . . .
C30 C29 C35 C34 1.0(6) . . . .
N4 C29 C35 C34 -178.2(3) . . . .
C30 C29 C35 C36 -178.4(4) . . . .
N4 C29 C35 C36 2.4(6) . . . .
