#------------------------------------------------------------------------------
#$Date: 2026-03-04 00:33:42 +0100 (Wed 04 de Mar de 2026) $
#$Revision: 304703 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/55/7135528.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_7135528
loop_
_publ_author_name
'Pitz, Benjamin'
'Danés, Sergi'
'Morgenstern, Bernd'
'Schäfer, André'
_publ_section_title
;
 Accessing zinc(I) via reductive elimination of cyclopentadienes.
;
_journal_issue                   7
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2204
_journal_page_last               2207
_journal_paper_doi               10.1039/d5cc06448a
_journal_volume                  62
_journal_year                    2026
_chemical_formula_moiety         'C34 H58 Zn2'
_chemical_formula_sum            'C34 H58 Zn2'
_chemical_formula_weight         597.54
_chemical_properties_physical    Moisture-sensitive,Hygroscopic
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2025-11-07 deposited with the CCDC.	2025-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                107.827(3)
_cell_angle_beta                 91.855(4)
_cell_angle_gamma                100.722(3)
_cell_formula_units_Z            2
_cell_length_a                   10.6973(10)
_cell_length_b                   11.7395(11)
_cell_length_c                   14.1251(14)
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      2.35
_cell_volume                     1651.6(3)
_computing_cell_refinement       'SAINT  (Bruker, 2019)'
_computing_data_collection       'APEX 4 (Bruker, 2021)'
_computing_data_reduction        'SAINT  (Bruker, 2019)'
_computing_molecular_graphics    'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2019)'
_computing_structure_refinement
;
SHELXL-2019/1 (Sheldrick, 2019),                                              
SHELXLe Rev 1370 (Huebschle et al., 2011)
;
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker AXS D8 Venture, Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            37670
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.182
_diffrn_reflns_theta_min         1.946
_diffrn_source                   'INCOATEC I?S microfocus sealed tube'
_exptl_absorpt_coefficient_mu    1.471
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             644
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene'
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.523
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         6995
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0154P)²+1.9793P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0766
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5792
_reflns_number_total             6995
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc06448a3.cif
_cod_data_source_block           sh5751_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_database_code               7135528
_shelx_shelxl_version_number     2019/1
_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   0.738
_shelx_estimated_absorpt_t_max   0.891
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
Zn1 Zn 0.97045(3) 0.08752(2) 0.49687(2) 0.02544(8) Uani 1 1 d . . . . .
Zn2 Zn 0.50200(3) 0.89873(2) -0.01964(2) 0.03108(8) Uani 1 1 d . . . . .
C1 C 0.4099(2) 0.70809(19) -0.11230(18) 0.0256(5) Uani 1 1 d . . . . .
H1 H 0.337365 0.685209 -0.165517 0.031 Uiso 1 1 calc R U . . .
C2 C 0.5424(2) 0.72868(19) -0.1276(2) 0.0304(6) Uani 1 1 d . . . . .
C3 C 0.6130(2) 0.7472(2) -0.0346(2) 0.0337(6) Uani 1 1 d . . . . .
C4 C 0.5228(2) 0.7388(2) 0.0378(2) 0.0299(5) Uani 1 1 d . . . . .
C5 C 0.3981(2) 0.71396(19) -0.01117(18) 0.0239(5) Uani 1 1 d . . . . .
C6 C 0.5918(3) 0.7225(2) -0.2280(2) 0.0438(7) Uani 1 1 d . . . . .
H6 H 0.685945 0.756550 -0.215726 0.053 Uiso 1 1 calc R U . . .
C7 C 0.5335(4) 0.7986(3) -0.2790(3) 0.0773(13) Uani 1 1 d . . . . .
H7A H 0.573966 0.797189 -0.340452 0.116 Uiso 1 1 calc R U . . .
H7B H 0.547063 0.883043 -0.234193 0.116 Uiso 1 1 calc R U . . .
H7C H 0.441627 0.764969 -0.295291 0.116 Uiso 1 1 calc R U . . .
C8 C 0.5727(3) 0.5904(2) -0.2958(2) 0.0499(8) Uani 1 1 d . . . . .
H8A H 0.609138 0.588309 -0.358885 0.075 Uiso 1 1 calc R U . . .
H8B H 0.481081 0.554065 -0.309187 0.075 Uiso 1 1 calc R U . . .
H8C H 0.615428 0.543813 -0.262790 0.075 Uiso 1 1 calc R U . . .
C9 C 0.7557(3) 0.7664(3) -0.0045(5) 0.0284(11) Uani 0.757(11) 1 d D U P A 1
H9 H 0.764961 0.764244 0.065528 0.034 Uiso 0.757(11) 1 calc R U P A 1
C10 C 0.8286(11) 0.8912(8) -0.0046(9) 0.041(2) Uani 0.757(11) 1 d D U P A 1
H10A H 0.920266 0.897548 0.009896 0.061 Uiso 0.757(11) 1 calc R U P A 1
H10B H 0.799399 0.955733 0.046476 0.061 Uiso 0.757(11) 1 calc R U P A 1
H10C H 0.812834 0.900398 -0.070389 0.061 Uiso 0.757(11) 1 calc R U P A 1
C11 C 0.8118(9) 0.6630(8) -0.0698(7) 0.0427(17) Uani 0.757(11) 1 d D U P A 1
H11A H 0.810085 0.666270 -0.138305 0.064 Uiso 0.757(11) 1 calc R U P A 1
H11B H 0.761205 0.584491 -0.069389 0.064 Uiso 0.757(11) 1 calc R U P A 1
H11C H 0.900241 0.671575 -0.043753 0.064 Uiso 0.757(11) 1 calc R U P A 1
C9B C 0.7622(10) 0.7567(9) -0.0594(11) 0.022(3) Uani 0.243(11) 1 d D U P A 2
H9B H 0.768424 0.754377 -0.130390 0.026 Uiso 0.243(11) 1 calc R U P A 2
C10B C 0.800(3) 0.642(2) -0.0457(19) 0.034(4) Uani 0.243(11) 1 d D U P A 2
H10D H 0.753428 0.569613 -0.098550 0.051 Uiso 0.243(11) 1 calc R U P A 2
H10E H 0.777489 0.636149 0.019607 0.051 Uiso 0.243(11) 1 calc R U P A 2
H10F H 0.891835 0.648361 -0.049289 0.051 Uiso 0.243(11) 1 calc R U P A 2
C11B C 0.839(3) 0.875(2) 0.008(2) 0.035(6) Uani 0.243(11) 1 d D U P A 2
H11D H 0.929590 0.880004 -0.003223 0.053 Uiso 0.243(11) 1 calc R U P A 2
H11E H 0.828879 0.879555 0.078075 0.053 Uiso 0.243(11) 1 calc R U P A 2
H11F H 0.809639 0.943161 -0.005155 0.053 Uiso 0.243(11) 1 calc R U P A 2
C12 C 0.5400(5) 0.7446(4) 0.1505(3) 0.0256(10) Uani 0.727(12) 1 d D U P B 1
H12 H 0.453053 0.739798 0.174840 0.031 Uiso 0.727(12) 1 calc R U P B 1
C13 C 0.6241(6) 0.8639(4) 0.2191(4) 0.0336(11) Uani 0.727(12) 1 d D U P B 1
H13A H 0.711368 0.871089 0.199109 0.050 Uiso 0.727(12) 1 calc R U P B 1
H13B H 0.625250 0.863319 0.288371 0.050 Uiso 0.727(12) 1 calc R U P B 1
H13C H 0.589475 0.933551 0.213738 0.050 Uiso 0.727(12) 1 calc R U P B 1
C14 C 0.5871(9) 0.6317(8) 0.1583(9) 0.037(2) Uani 0.727(12) 1 d D U P B 1
H14A H 0.529243 0.557472 0.115512 0.056 Uiso 0.727(12) 1 calc R U P B 1
H14B H 0.588905 0.631861 0.227703 0.056 Uiso 0.727(12) 1 calc R U P B 1
H14C H 0.673380 0.633736 0.136525 0.056 Uiso 0.727(12) 1 calc R U P B 1
C12B C 0.5894(15) 0.7444(9) 0.1252(9) 0.028(3) Uani 0.273(12) 1 d D U P B 2
H12B H 0.683147 0.759910 0.117827 0.034 Uiso 0.273(12) 1 calc R U P B 2
C13B C 0.549(3) 0.621(2) 0.145(3) 0.044(6) Uani 0.273(12) 1 d D U P B 2
H13D H 0.456224 0.602040 0.145868 0.066 Uiso 0.273(12) 1 calc R U P B 2
H13E H 0.590065 0.627594 0.210494 0.066 Uiso 0.273(12) 1 calc R U P B 2
H13F H 0.576213 0.556717 0.093005 0.066 Uiso 0.273(12) 1 calc R U P B 2
C14B C 0.5596(16) 0.8499(11) 0.2105(9) 0.034(3) Uani 0.273(12) 1 d D U P B 2
H14D H 0.591642 0.927449 0.198310 0.051 Uiso 0.273(12) 1 calc R U P B 2
H14E H 0.601236 0.851126 0.273764 0.051 Uiso 0.273(12) 1 calc R U P B 2
H14F H 0.467006 0.838476 0.214040 0.051 Uiso 0.273(12) 1 calc R U P B 2
C15 C 0.2731(2) 0.6969(2) 0.0352(2) 0.0343(6) Uani 1 1 d . . . . .
H15 H 0.287175 0.665051 0.091884 0.041 Uiso 1 1 calc R U . . .
C16 C 0.2267(3) 0.8167(3) 0.0768(3) 0.0543(9) Uani 1 1 d . . . . .
H16A H 0.216225 0.851837 0.023215 0.081 Uiso 1 1 calc R U . . .
H16B H 0.289674 0.874305 0.129911 0.081 Uiso 1 1 calc R U . . .
H16C H 0.144598 0.800560 0.104103 0.081 Uiso 1 1 calc R U . . .
C17 C 0.1691(3) 0.6032(3) -0.0397(3) 0.0508(8) Uani 1 1 d . . . . .
H17A H 0.148074 0.635517 -0.093167 0.076 Uiso 1 1 calc R U . . .
H17B H 0.092585 0.586504 -0.005810 0.076 Uiso 1 1 calc R U . . .
H17C H 0.199667 0.527335 -0.068360 0.076 Uiso 1 1 calc R U . . .
C18 C 0.8317(2) 0.17346(19) 0.43442(17) 0.0229(4) Uani 1 1 d . . . . .
H18 H 0.754492 0.128134 0.386710 0.027 Uiso 1 1 calc R U . . .
C19 C 0.8340(2) 0.21466(19) 0.54065(18) 0.0250(5) Uani 1 1 d . . . . .
C20 C 0.9589(2) 0.28467(19) 0.57959(17) 0.0242(5) Uani 1 1 d . . . . .
C21 C 1.0330(2) 0.28587(18) 0.49644(17) 0.0223(5) Uani 1 1 d . . . . .
C22 C 0.9545(2) 0.21823(18) 0.40725(17) 0.0212(4) Uani 1 1 d . . . . .
C23 C 0.7197(2) 0.1898(2) 0.5976(2) 0.0336(6) Uani 1 1 d . . . . .
H23 H 0.749470 0.226718 0.670319 0.040 Uiso 1 1 calc R U . . .
C24 C 0.6681(3) 0.0543(2) 0.5786(3) 0.0484(8) Uani 1 1 d . . . . .
H24A H 0.638080 0.014637 0.507734 0.073 Uiso 1 1 calc R U . . .
H24B H 0.596809 0.043913 0.619174 0.073 Uiso 1 1 calc R U . . .
H24C H 0.735967 0.016950 0.596739 0.073 Uiso 1 1 calc R U . . .
C25 C 0.6149(3) 0.2529(3) 0.5766(3) 0.0467(8) Uani 1 1 d . . . . .
H25A H 0.649667 0.340633 0.592573 0.070 Uiso 1 1 calc R U . . .
H25B H 0.545052 0.240351 0.617956 0.070 Uiso 1 1 calc R U . . .
H25C H 0.582448 0.218282 0.505896 0.070 Uiso 1 1 calc R U . . .
C26 C 1.0066(3) 0.3540(2) 0.68825(19) 0.0345(6) Uani 1 1 d . . . . .
H26 H 1.095532 0.398766 0.687406 0.041 Uiso 1 1 calc R U . . .
C27 C 1.0189(3) 0.2711(3) 0.7506(2) 0.0461(7) Uani 1 1 d . . . . .
H27A H 0.935512 0.218645 0.748810 0.069 Uiso 1 1 calc R U . . .
H27B H 1.048866 0.320990 0.819809 0.069 Uiso 1 1 calc R U . . .
H27C H 1.080414 0.220045 0.723473 0.069 Uiso 1 1 calc R U . . .
C28 C 0.9318(3) 0.4519(3) 0.7337(2) 0.0495(8) Uani 1 1 d . . . . .
H28A H 0.932810 0.505334 0.692126 0.074 Uiso 1 1 calc R U . . .
H28B H 0.970987 0.500467 0.801097 0.074 Uiso 1 1 calc R U . . .
H28C H 0.843363 0.413345 0.737130 0.074 Uiso 1 1 calc R U . . .
C29 C 1.1708(2) 0.3520(2) 0.4982(2) 0.0315(5) Uani 1 1 d . . . . .
H29 H 1.188390 0.330564 0.426466 0.038 Uiso 1 1 calc R U . . .
C30 C 1.2697(2) 0.3061(2) 0.5475(2) 0.0411(7) Uani 1 1 d . . . . .
H30A H 1.259556 0.217646 0.515967 0.062 Uiso 1 1 calc R U . . .
H30B H 1.258188 0.323860 0.618703 0.062 Uiso 1 1 calc R U . . .
H30C H 1.355450 0.347126 0.539625 0.062 Uiso 1 1 calc R U . . .
C31 C 1.1880(2) 0.4902(2) 0.5339(2) 0.0389(6) Uani 1 1 d . . . . .
H31A H 1.275247 0.527058 0.525537 0.058 Uiso 1 1 calc R U . . .
H31B H 1.173088 0.518265 0.604640 0.058 Uiso 1 1 calc R U . . .
H31C H 1.126840 0.514459 0.494625 0.058 Uiso 1 1 calc R U . . .
C32 C 0.9894(2) 0.1961(2) 0.30085(18) 0.0296(5) Uani 1 1 d . . . . .
H32 H 1.060253 0.265286 0.301461 0.036 Uiso 1 1 calc R U . . .
C33 C 1.0387(3) 0.0784(3) 0.2606(2) 0.0472(8) Uani 1 1 d . . . . .
H33A H 0.972139 0.008636 0.260459 0.071 Uiso 1 1 calc R U . . .
H33B H 1.114574 0.082058 0.303065 0.071 Uiso 1 1 calc R U . . .
H33C H 1.061196 0.068801 0.192231 0.071 Uiso 1 1 calc R U . . .
C34 C 0.8780(3) 0.1971(3) 0.2309(2) 0.0492(8) Uani 1 1 d . . . . .
H34A H 0.906884 0.192040 0.164868 0.074 Uiso 1 1 calc R U . . .
H34B H 0.846894 0.272933 0.258012 0.074 Uiso 1 1 calc R U . . .
H34C H 0.808854 0.126886 0.224934 0.074 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 0.0033 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'
Zn Zn 0.2839 1.4301 '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
C18 Zn1 C19 37.08(8) . . ?
C18 Zn1 C20 61.12(8) . . ?
C19 Zn1 C20 36.69(8) . . ?
C18 Zn1 Zn1 147.91(6) . 2_756 ?
C19 Zn1 Zn1 147.52(6) . 2_756 ?
C20 Zn1 Zn1 147.66(6) . 2_756 ?
C18 Zn1 C22 36.78(7) . . ?
C19 Zn1 C22 61.56(7) . . ?
C20 Zn1 C22 60.79(8) . . ?
Zn1 Zn1 C22 147.72(5) 2_756 . ?
C18 Zn1 C21 60.64(8) . . ?
C19 Zn1 C21 61.21(7) . . ?
C20 Zn1 C21 36.64(8) . . ?
Zn1 Zn1 C21 147.75(6) 2_756 . ?
C22 Zn1 C21 35.80(8) . . ?
C1 Zn2 C2 37.25(8) . . ?
C1 Zn2 C3 61.34(9) . . ?
C2 Zn2 C3 36.91(10) . . ?
C1 Zn2 Zn2 146.31(6) . 2_675 ?
C2 Zn2 Zn2 149.25(6) . 2_675 ?
C3 Zn2 Zn2 150.13(6) . 2_675 ?
C1 Zn2 C5 36.59(8) . . ?
C2 Zn2 C5 61.57(8) . . ?
C3 Zn2 C5 60.85(8) . . ?
Zn2 Zn2 C5 144.99(6) 2_675 . ?
C1 Zn2 C4 60.85(9) . . ?
C2 Zn2 C4 61.47(9) . . ?
C3 Zn2 C4 36.64(9) . . ?
Zn2 Zn2 C4 147.15(7) 2_675 . ?
C5 Zn2 C4 36.03(8) . . ?
C5 C1 C2 108.8(2) . . ?
C5 C1 Zn2 73.67(13) . . ?
C2 C1 Zn2 71.40(13) . . ?
C1 C2 C3 107.4(2) . . ?
C1 C2 C6 123.8(3) . . ?
C3 C2 C6 128.7(2) . . ?
C1 C2 Zn2 71.35(12) . . ?
C3 C2 Zn2 73.19(13) . . ?
C6 C2 Zn2 123.78(15) . . ?
C2 C3 C4 107.9(2) . . ?
C2 C3 C9 132.4(3) . . ?
C4 C3 C9 119.6(3) . . ?
C2 C3 C9B 105.1(5) . . ?
C4 C3 C9B 146.6(6) . . ?
C2 C3 Zn2 69.90(12) . . ?
C4 C3 Zn2 72.65(12) . . ?
C9 C3 Zn2 125.38(18) . . ?
C9B C3 Zn2 124.6(3) . . ?
C12B C4 C5 143.4(7) . . ?
C12B C4 C3 108.3(7) . . ?
C5 C4 C3 107.8(2) . . ?
C5 C4 C12 119.7(3) . . ?
C3 C4 C12 132.4(3) . . ?
C12B C4 Zn2 127.7(4) . . ?
C5 C4 Zn2 71.27(12) . . ?
C3 C4 Zn2 70.71(12) . . ?
C12 C4 Zn2 126.26(19) . . ?
C1 C5 C4 108.1(2) . . ?
C1 C5 C15 125.3(2) . . ?
C4 C5 C15 126.6(2) . . ?
C1 C5 Zn2 69.75(12) . . ?
C4 C5 Zn2 72.69(12) . . ?
C15 C5 Zn2 123.08(15) . . ?
C7 C6 C2 112.8(2) . . ?
C7 C6 C8 110.9(3) . . ?
C2 C6 C8 110.9(2) . . ?
C11 C9 C10 111.8(6) . . ?
C11 C9 C3 110.9(5) . . ?
C10 C9 C3 112.0(6) . . ?
C11B C9B C10B 114.6(18) . . ?
C11B C9B C3 108.6(17) . . ?
C10B C9B C3 105.1(13) . . ?
C13 C12 C14 111.9(5) . . ?
C13 C12 C4 114.2(4) . . ?
C14 C12 C4 110.2(6) . . ?
C4 C12B C14B 108.6(10) . . ?
C4 C12B C13B 109.2(15) . . ?
C14B C12B C13B 111.0(17) . . ?
C5 C15 C17 111.2(2) . . ?
C5 C15 C16 112.5(2) . . ?
C17 C15 C16 109.3(2) . . ?
C19 C18 C22 108.8(2) . . ?
C19 C18 Zn1 71.68(12) . . ?
C22 C18 Zn1 73.65(12) . . ?
C20 C19 C18 107.42(19) . . ?
C20 C19 C23 128.2(2) . . ?
C18 C19 C23 124.3(2) . . ?
C20 C19 Zn1 72.95(12) . . ?
C18 C19 Zn1 71.24(11) . . ?
C23 C19 Zn1 123.00(14) . . ?
C19 C20 C21 107.9(2) . . ?
C19 C20 C26 127.4(2) . . ?
C21 C20 C26 124.6(2) . . ?
C19 C20 Zn1 70.36(12) . . ?
C21 C20 Zn1 72.53(11) . . ?
C26 C20 Zn1 125.71(15) . . ?
C22 C21 C20 108.41(19) . . ?
C22 C21 C29 123.2(2) . . ?
C20 C21 C29 128.3(2) . . ?
C22 C21 Zn1 71.77(11) . . ?
C20 C21 Zn1 70.84(11) . . ?
C29 C21 Zn1 125.47(14) . . ?
C21 C22 C18 107.53(19) . . ?
C21 C22 C32 127.7(2) . . ?
C18 C22 C32 124.8(2) . . ?
C21 C22 Zn1 72.43(11) . . ?
C18 C22 Zn1 69.57(11) . . ?
C32 C22 Zn1 123.87(14) . . ?
C19 C23 C24 113.1(2) . . ?
C19 C23 C25 111.2(2) . . ?
C24 C23 C25 111.1(2) . . ?
C28 C26 C27 113.9(2) . . ?
C28 C26 C20 111.8(2) . . ?
C27 C26 C20 113.4(2) . . ?
C30 C29 C31 113.4(2) . . ?
C30 C29 C21 114.52(19) . . ?
C31 C29 C21 113.25(19) . . ?
C22 C32 C33 112.50(19) . . ?
C22 C32 C34 111.8(2) . . ?
C33 C32 C34 110.4(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
Zn1 C18 2.240(2) . ?
Zn1 C19 2.246(2) . ?
Zn1 C20 2.280(2) . ?
Zn1 Zn1 2.2849(5) 2_756 ?
Zn1 C22 2.293(2) . ?
Zn1 C21 2.302(2) . ?
Zn2 C1 2.235(2) . ?
Zn2 C2 2.236(2) . ?
Zn2 C3 2.279(2) . ?
Zn2 Zn2 2.2791(5) 2_675 ?
Zn2 C5 2.286(2) . ?
Zn2 C4 2.305(2) . ?
C1 C5 1.420(3) . ?
C1 C2 1.428(3) . ?
C2 C3 1.430(4) . ?
C2 C6 1.515(3) . ?
C3 C4 1.441(4) . ?
C3 C9 1.527(4) . ?
C3 C9B 1.636(11) . ?
C4 C12B 1.382(11) . ?
C4 C5 1.420(3) . ?
C4 C12 1.575(5) . ?
C5 C15 1.515(3) . ?
C6 C7 1.508(4) . ?
C6 C8 1.525(4) . ?
C9 C11 1.518(8) . ?
C9 C10 1.526(9) . ?
C9B C11B 1.49(2) . ?
C9B C10B 1.534(17) . ?
C12 C13 1.535(7) . ?
C12 C14 1.535(8) . ?
C12B C14B 1.531(15) . ?
C12B C13B 1.543(18) . ?
C15 C17 1.524(4) . ?
C15 C16 1.530(3) . ?
C18 C19 1.426(3) . ?
C18 C22 1.431(3) . ?
C19 C20 1.425(3) . ?
C19 C23 1.517(3) . ?
C20 C21 1.440(3) . ?
C20 C26 1.519(3) . ?
C21 C22 1.412(3) . ?
C21 C29 1.528(3) . ?
C22 C32 1.516(3) . ?
C23 C24 1.520(3) . ?
C23 C25 1.522(3) . ?
C26 C28 1.516(3) . ?
C26 C27 1.519(3) . ?
C29 C30 1.512(3) . ?
C29 C31 1.517(3) . ?
C32 C33 1.524(3) . ?
C32 C34 1.527(4) . ?
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
C5 C1 C2 C3 0.1(2) . . . . ?
Zn2 C1 C2 C3 64.82(15) . . . . ?
C5 C1 C2 C6 176.6(2) . . . . ?
Zn2 C1 C2 C6 -118.7(2) . . . . ?
C5 C1 C2 Zn2 -64.68(15) . . . . ?
C1 C2 C3 C4 -0.5(2) . . . . ?
C6 C2 C3 C4 -176.7(2) . . . . ?
Zn2 C2 C3 C4 63.12(15) . . . . ?
C1 C2 C3 C9 176.3(2) . . . . ?
C6 C2 C3 C9 0.1(4) . . . . ?
Zn2 C2 C3 C9 -120.1(3) . . . . ?
C1 C2 C3 C9B 174.6(4) . . . . ?
C6 C2 C3 C9B -1.6(4) . . . . ?
Zn2 C2 C3 C9B -121.8(3) . . . . ?
C1 C2 C3 Zn2 -63.61(14) . . . . ?
C6 C2 C3 Zn2 120.1(2) . . . . ?
C2 C3 C4 C12B 174.2(4) . . . . ?
C9B C3 C4 C12B 2.8(8) . . . . ?
Zn2 C3 C4 C12B -124.5(4) . . . . ?
C2 C3 C4 C5 0.6(2) . . . . ?
C9 C3 C4 C5 -176.7(2) . . . . ?
C9B C3 C4 C5 -170.7(7) . . . . ?
Zn2 C3 C4 C5 61.99(15) . . . . ?
C2 C3 C4 C12 176.7(3) . . . . ?
C9 C3 C4 C12 -0.6(4) . . . . ?
Zn2 C3 C4 C12 -121.9(3) . . . . ?
C2 C3 C4 Zn2 -61.35(15) . . . . ?
C9 C3 C4 Zn2 121.3(2) . . . . ?
C9B C3 C4 Zn2 127.3(7) . . . . ?
C2 C1 C5 C4 0.3(2) . . . . ?
Zn2 C1 C5 C4 -62.96(15) . . . . ?
C2 C1 C5 C15 -179.9(2) . . . . ?
Zn2 C1 C5 C15 116.9(2) . . . . ?
C2 C1 C5 Zn2 63.22(15) . . . . ?
C12B C4 C5 C1 -170.2(7) . . . . ?
C3 C4 C5 C1 -0.6(2) . . . . ?
C12 C4 C5 C1 -177.2(2) . . . . ?
Zn2 C4 C5 C1 61.08(15) . . . . ?
C12B C4 C5 C15 10.0(8) . . . . ?
C3 C4 C5 C15 179.6(2) . . . . ?
C12 C4 C5 C15 3.0(4) . . . . ?
Zn2 C4 C5 C15 -118.7(2) . . . . ?
C12B C4 C5 Zn2 128.7(7) . . . . ?
C3 C4 C5 Zn2 -61.63(15) . . . . ?
C12 C4 C5 Zn2 121.7(2) . . . . ?
C1 C2 C6 C7 50.8(4) . . . . ?
C3 C2 C6 C7 -133.5(3) . . . . ?
Zn2 C2 C6 C7 -38.3(4) . . . . ?
C1 C2 C6 C8 -74.2(3) . . . . ?
C3 C2 C6 C8 101.5(3) . . . . ?
Zn2 C2 C6 C8 -163.3(2) . . . . ?
C2 C3 C9 C11 -55.4(6) . . . . ?
C4 C3 C9 C11 121.2(5) . . . . ?
Zn2 C3 C9 C11 -149.8(4) . . . . ?
C2 C3 C9 C10 70.3(7) . . . . ?
C4 C3 C9 C10 -113.2(6) . . . . ?
Zn2 C3 C9 C10 -24.2(8) . . . . ?
C2 C3 C9B C11B 124.0(17) . . . . ?
C4 C3 C9B C11B -64.5(19) . . . . ?
Zn2 C3 C9B C11B 48.3(19) . . . . ?
C2 C3 C9B C10B -112.9(13) . . . . ?
C4 C3 C9B C10B 58.6(16) . . . . ?
Zn2 C3 C9B C10B 171.4(12) . . . . ?
C5 C4 C12 C13 -125.2(4) . . . . ?
C3 C4 C12 C13 59.1(6) . . . . ?
Zn2 C4 C12 C13 -37.5(6) . . . . ?
C5 C4 C12 C14 107.9(5) . . . . ?
C3 C4 C12 C14 -67.8(6) . . . . ?
Zn2 C4 C12 C14 -164.3(4) . . . . ?
C5 C4 C12B C14B -66.4(13) . . . . ?
C3 C4 C12B C14B 124.0(12) . . . . ?
Zn2 C4 C12B C14B 44.6(17) . . . . ?
C5 C4 C12B C13B 54.8(19) . . . . ?
C3 C4 C12B C13B -114.8(16) . . . . ?
Zn2 C4 C12B C13B 165.8(14) . . . . ?
C1 C5 C15 C17 34.4(3) . . . . ?
C4 C5 C15 C17 -145.8(2) . . . . ?
Zn2 C5 C15 C17 121.8(2) . . . . ?
C1 C5 C15 C16 -88.5(3) . . . . ?
C4 C5 C15 C16 91.3(3) . . . . ?
Zn2 C5 C15 C16 -1.1(3) . . . . ?
C22 C18 C19 C20 -0.3(2) . . . . ?
Zn1 C18 C19 C20 64.46(14) . . . . ?
C22 C18 C19 C23 177.53(18) . . . . ?
Zn1 C18 C19 C23 -117.7(2) . . . . ?
C22 C18 C19 Zn1 -64.79(14) . . . . ?
C18 C19 C20 C21 -0.1(2) . . . . ?
C23 C19 C20 C21 -177.82(19) . . . . ?
Zn1 C19 C20 C21 63.26(14) . . . . ?
C18 C19 C20 C26 176.2(2) . . . . ?
C23 C19 C20 C26 -1.6(3) . . . . ?
Zn1 C19 C20 C26 -120.5(2) . . . . ?
C18 C19 C20 Zn1 -63.33(14) . . . . ?
C23 C19 C20 Zn1 118.9(2) . . . . ?
C19 C20 C21 C22 0.5(2) . . . . ?
C26 C20 C21 C22 -175.93(19) . . . . ?
Zn1 C20 C21 C22 62.31(14) . . . . ?
C19 C20 C21 C29 177.59(19) . . . . ?
C26 C20 C21 C29 1.2(3) . . . . ?
Zn1 C20 C21 C29 -120.6(2) . . . . ?
C19 C20 C21 Zn1 -61.85(14) . . . . ?
C26 C20 C21 Zn1 121.8(2) . . . . ?
C20 C21 C22 C18 -0.7(2) . . . . ?
C29 C21 C22 C18 -177.97(18) . . . . ?
Zn1 C21 C22 C18 61.06(13) . . . . ?
C20 C21 C22 C32 178.68(19) . . . . ?
C29 C21 C22 C32 1.4(3) . . . . ?
Zn1 C21 C22 C32 -119.6(2) . . . . ?
C20 C21 C22 Zn1 -61.72(14) . . . . ?
C29 C21 C22 Zn1 120.97(18) . . . . ?
C19 C18 C22 C21 0.6(2) . . . . ?
Zn1 C18 C22 C21 -62.91(14) . . . . ?
C19 C18 C22 C32 -178.74(18) . . . . ?
Zn1 C18 C22 C32 117.73(19) . . . . ?
C19 C18 C22 Zn1 63.52(14) . . . . ?
C20 C19 C23 C24 -122.1(3) . . . . ?
C18 C19 C23 C24 60.5(3) . . . . ?
Zn1 C19 C23 C24 -28.2(3) . . . . ?
C20 C19 C23 C25 112.1(3) . . . . ?
C18 C19 C23 C25 -65.3(3) . . . . ?
Zn1 C19 C23 C25 -154.1(2) . . . . ?
C19 C20 C26 C28 -60.3(3) . . . . ?
C21 C20 C26 C28 115.4(3) . . . . ?
Zn1 C20 C26 C28 -151.94(19) . . . . ?
C19 C20 C26 C27 70.1(3) . . . . ?
C21 C20 C26 C27 -114.3(3) . . . . ?
Zn1 C20 C26 C27 -21.6(3) . . . . ?
C22 C21 C29 C30 -117.8(3) . . . . ?
C20 C21 C29 C30 65.5(3) . . . . ?
Zn1 C21 C29 C30 -27.4(3) . . . . ?
C22 C21 C29 C31 110.0(3) . . . . ?
C20 C21 C29 C31 -66.7(3) . . . . ?
Zn1 C21 C29 C31 -159.55(18) . . . . ?
C21 C22 C32 C33 92.3(3) . . . . ?
C18 C22 C32 C33 -88.4(3) . . . . ?
Zn1 C22 C32 C33 -1.1(3) . . . . ?
C21 C22 C32 C34 -142.8(2) . . . . ?
C18 C22 C32 C34 36.4(3) . . . . ?
Zn1 C22 C32 C34 123.8(2) . . . . ?
