#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/30/2103021.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2103021
loop_
_publ_author_name
'Juan F. Van der Maelen Uria'
'Enrique Gutierrez Puebla'
'Angeles Monge'
'Santiago Garcia-Granda'
'Irene Resa'
'Ernesto Carmona'
'Maria Teresa Fernandez-Diaz'
'Garry J. McIntyre'
'Philip Pattison'
'Hans-Peter Weber'
_publ_section_title
;
 Experimental and theoretical characterization of the Zn---Zn bond in
 [Zn₂(η⁵-C₅Me₅)₂]
;
_journal_coeditor_code           BS5050
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              862
_journal_page_last               868
_journal_paper_doi               10.1107/S0108768107045880
_journal_volume                  63
_journal_year                    2007
_chemical_formula_moiety         'C20 H30 Zn2'
_chemical_formula_sum            'C20 H30 Zn2'
_chemical_formula_weight         401.18
_chemical_name_systematic
;
 bis(η⁵-Pentamethyl-cyclopentadienyl)-di-zinc(i)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'XD routine XDCIF'
_cell_angle_alpha                109.908(10)
_cell_angle_beta                 101.551(8)
_cell_angle_gamma                93.905(9)
_cell_formula_units_Z            2
_cell_length_a                   6.9115(6)
_cell_length_b                   10.8895(14)
_cell_length_c                   13.8927(14)
_cell_measurement_reflns_used    5456
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      29.26
_cell_measurement_theta_min      3.00
_cell_volume                     952.61(19)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
SORTAV (Blessing, 1989)
;
_computing_molecular_graphics    'XD2006 (Volkov et al, 2006)'
_computing_publication_material  'XD2006 (Volkov et al, 2006)'
_computing_structure_refinement  'XD2006 (Volkov et al, 2006)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100.0(10)
_diffrn_measurement_device       'KUMA KM6-CH'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_source         'ESRF BM01A'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71000
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            57003
_diffrn_reflns_theta_max         43.50
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    2.513
_exptl_absorpt_correction_T_max  0.8811
_exptl_absorpt_correction_T_min  0.2718
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.70
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.589
_refine_diff_density_min         -0.476
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    132
_refine_ls_number_parameters     782
_refine_ls_number_reflns         11249
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.043
_refine_ls_R_factor_gt           0.036
_refine_ls_shift/su_max          0.04682
_refine_ls_shift/su_mean         0.00076
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'calc w=1/[σ²(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.040
_reflns_number_gt                12354
_reflns_number_total             13873
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bs5050.cif
_cod_data_source_block           znzn
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        952.61(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2103021
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
ZN ZN(1) 0.66367(5) 0.27955(5) 0.68212(4) 0.015 Uani d . 1
ZN ZN(2) 0.85430(5) 0.20952(6) 0.80545(5) 0.015 Uani d . 1
C C(1) 0.49605(18) 0.23498(13) 0.51129(12) 0.014 Uani d . 1
C C(2) 0.63474(17) 0.35452(15) 0.54645(13) 0.016 Uani d . 1
C C(3) 0.57612(19) 0.45008(13) 0.63106(13) 0.017 Uani d . 1
C C(4) 0.39994(19) 0.39082(14) 0.64894(13) 0.016 Uani d . 1
C C(5) 0.35141(16) 0.25743(13) 0.57420(12) 0.015 Uani d . 1
C C(6) 1.02717(19) 0.05026(14) 0.83802(13) 0.016 Uani d . 1
C C(7) 1.16296(17) 0.17117(15) 0.87361(13) 0.017 Uani d . 1
C C(8) 1.09987(19) 0.26642(14) 0.95679(13) 0.018 Uani d . 1
C C(9) 0.9244(2) 0.20495(15) 0.97326(13) 0.017 Uani d . 1
C C(10) 0.88000(18) 0.07077(14) 0.89965(12) 0.016 Uani d . 1
C C(11) 0.4919(2) 0.11218(16) 0.41860(14) 0.025 Uani d . 1
C C(12) 0.79679(19) 0.38145(19) 0.49524(15) 0.028 Uani d . 1
C C(13) 0.6709(2) 0.59243(14) 0.68411(15) 0.03 Uani d . 1
C C(14) 0.2830(3) 0.4594(2) 0.72592(16) 0.026 Uani d . 1
C C(15) 0.17041(17) 0.16067(15) 0.55781(13) 0.023 Uani d . 1
C C(16) 1.0476(3) -0.07690(18) 0.75540(17) 0.027 Uani d . 1
C C(17) 1.34887(18) 0.18959(18) 0.83661(15) 0.026 Uani d . 1
C C(18) 1.2115(3) 0.40205(16) 1.02274(15) 0.031 Uani d . 1
C C(19) 0.8207(3) 0.2665(2) 1.05834(16) 0.029 Uani d . 1
C C(20) 0.72291(18) -0.03391(15) 0.89724(13) 0.023 Uani d . 1
H H(11A) 0.615799 0.122606 0.387484 0.036 Uiso calc R 1
H H(11B) 0.359902 0.096723 0.360643 0.036 Uiso calc R 1
H H(11C) 0.496263 0.030938 0.442953 0.036 Uiso calc R 1
H H(12A) 0.808365 0.294254 0.435193 0.047 Uiso calc R 1
H H(12B) 0.93309 0.415286 0.551929 0.047 Uiso calc R 1
H H(12C) 0.762135 0.45396 0.4632 0.047 Uiso calc R 1
H H(13A) 0.60062 0.640921 0.743861 0.041 Uiso calc R 1
H H(13B) 0.655698 0.638277 0.628229 0.041 Uiso calc R 1
H H(13C) 0.823163 0.597377 0.716822 0.041 Uiso calc R 1
H H(14A) 0.355469 0.556065 0.770214 0.04 Uiso calc PR 0.1177
H H(14B) 0.271258 0.407687 0.776424 0.04 Uiso calc PR 0.1177
H H(14C) 0.139601 0.462541 0.684809 0.04 Uiso calc PR 0.1177
H H(14D) 0.155362 0.394965 0.717327 0.04 Uiso calc PR 0.8823
H H(14E) 0.239379 0.542963 0.711146 0.04 Uiso calc PR 0.8823
H H(14F) 0.371587 0.488364 0.802975 0.04 Uiso calc PR 0.8823
H H(15A) 0.090395 0.202017 0.614771 0.036 Uiso calc PR 0.6691
H H(15B) 0.215736 0.073625 0.565246 0.036 Uiso calc PR 0.6691
H H(15C) 0.078582 0.138703 0.482333 0.036 Uiso calc PR 0.6691
H H(15D) 0.166269 0.074058 0.493453 0.036 Uiso calc PR 0.3309
H H(15E) 0.04069 0.202726 0.54314 0.036 Uiso calc PR 0.3309
H H(15F) 0.177756 0.137559 0.625757 0.036 Uiso calc PR 0.3309
H H(16A) 1.168312 -0.061042 0.72358 0.041 Uiso calc PR 0.2798
H H(16B) 0.91589 -0.109842 0.695317 0.041 Uiso calc PR 0.2798
H H(16C) 1.072093 -0.14845 0.789716 0.041 Uiso calc PR 0.2798
H H(16D) 0.935977 -0.151708 0.748709 0.041 Uiso calc PR 0.7202
H H(16E) 1.188607 -0.103088 0.777237 0.041 Uiso calc PR 0.7202
H H(16F) 1.03171 -0.064534 0.682672 0.041 Uiso calc PR 0.7202
H H(17A) 1.356705 0.103259 0.77469 0.044 Uiso calc R 1
H H(17B) 1.47445 0.209474 0.899264 0.044 Uiso calc R 1
H H(17C) 1.345351 0.269167 0.810229 0.044 Uiso calc R 1
H H(18A) 1.132892 0.451856 1.077935 0.042 Uiso calc R 1
H H(18B) 1.227138 0.455188 0.97365 0.042 Uiso calc R 1
H H(18C) 1.35395 0.394376 1.062098 0.042 Uiso calc R 1
H H(19A) 0.884839 0.365642 1.099382 0.047 Uiso calc PR 0.2994
H H(19B) 0.835746 0.21584 1.110954 0.047 Uiso calc PR 0.2994
H H(19C) 0.668637 0.261652 1.025194 0.047 Uiso calc PR 0.2994
H H(19D) 0.708066 0.196342 1.057704 0.047 Uiso calc PR 0.7006
H H(19E) 0.757211 0.346407 1.046096 0.047 Uiso calc PR 0.7006
H H(19F) 0.923942 0.300389 1.131732 0.047 Uiso calc PR 0.7006
H H(20A) 0.636039 0.008457 0.950368 0.038 Uiso calc R 1
H H(20B) 0.791865 -0.107285 0.917917 0.038 Uiso calc R 1
H H(20C) 0.630656 -0.076661 0.820856 0.038 Uiso calc R 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C(2) C(1) C(5) 1_555 1_555 1_555 108.04(15) yes
C(2) C(1) C(11) 1_555 1_555 1_555 125.91(17) yes
C(5) C(1) C(11) 1_555 1_555 1_555 125.83(11) yes
C(1) C(2) C(3) 1_555 1_555 1_555 107.82(14) yes
C(1) C(2) C(12) 1_555 1_555 1_555 126.44(18) yes
C(3) C(2) C(12) 1_555 1_555 1_555 125.31(13) yes
C(2) C(3) C(4) 1_555 1_555 1_555 108.63(11) yes
C(2) C(3) C(13) 1_555 1_555 1_555 125.01(15) yes
C(4) C(3) C(13) 1_555 1_555 1_555 126.07(19) yes
C(3) C(4) C(5) 1_555 1_555 1_555 107.11(16) yes
C(3) C(4) C(14) 1_555 1_555 1_555 125.91(14) yes
C(5) C(4) C(14) 1_555 1_555 1_555 126.84(13) yes
C(1) C(5) C(4) 1_555 1_555 1_555 108.39(11) yes
C(1) C(5) C(15) 1_555 1_555 1_555 125.27(15) yes
C(4) C(5) C(15) 1_555 1_555 1_555 126.16(17) yes
C(7) C(6) C(10) 1_555 1_555 1_555 108.12(16) yes
C(7) C(6) C(16) 1_555 1_555 1_555 124.80(17) yes
C(10) C(6) C(16) 1_555 1_555 1_555 126.96(12) yes
C(6) C(7) C(8) 1_555 1_555 1_555 107.96(14) yes
C(6) C(7) C(17) 1_555 1_555 1_555 125.56(18) yes
C(8) C(7) C(17) 1_555 1_555 1_555 126.25(13) yes
C(7) C(8) C(9) 1_555 1_555 1_555 108.32(12) yes
C(7) C(8) C(18) 1_555 1_555 1_555 125.23(16) yes
C(9) C(8) C(18) 1_555 1_555 1_555 126.1(2) yes
C(8) C(9) C(10) 1_555 1_555 1_555 107.62(17) yes
C(8) C(9) C(19) 1_555 1_555 1_555 125.58(16) yes
C(10) C(9) C(19) 1_555 1_555 1_555 126.56(14) yes
C(6) C(10) C(9) 1_555 1_555 1_555 107.98(11) yes
C(6) C(10) C(20) 1_555 1_555 1_555 125.98(15) yes
C(9) C(10) C(20) 1_555 1_555 1_555 125.63(17) yes
C(1) C(11) H(11A) 1_555 1_555 1_555 109.64(12) yes
C(1) C(11) H(11B) 1_555 1_555 1_555 109.43(16) yes
C(1) C(11) H(11C) 1_555 1_555 1_555 109.40(15) yes
H(11A) C(11) H(11B) 1_555 1_555 1_555 109.63(17) yes
H(11A) C(11) H(11C) 1_555 1_555 1_555 109.53(17) yes
H(11B) C(11) H(11C) 1_555 1_555 1_555 109.20(13) yes
C(2) C(12) H(12A) 1_555 1_555 1_555 109.51(12) yes
C(2) C(12) H(12B) 1_555 1_555 1_555 109.39(14) yes
C(2) C(12) H(12C) 1_555 1_555 1_555 109.46(15) yes
H(12A) C(12) H(12B) 1_555 1_555 1_555 109.55(16) yes
H(12A) C(12) H(12C) 1_555 1_555 1_555 109.62(16) yes
H(12B) C(12) H(12C) 1_555 1_555 1_555 109.30(13) yes
C(3) C(13) H(13A) 1_555 1_555 1_555 109.69(15) yes
C(3) C(13) H(13B) 1_555 1_555 1_555 109.36(13) yes
C(3) C(13) H(13C) 1_555 1_555 1_555 109.45(14) yes
H(13A) C(13) H(13B) 1_555 1_555 1_555 109.58(15) yes
H(13A) C(13) H(13C) 1_555 1_555 1_555 109.58(14) yes
H(13B) C(13) H(13C) 1_555 1_555 1_555 109.16(17) yes
C(4) C(14) H(14A) 1_555 1_555 1_555 109.52(17) yes
C(4) C(14) H(14B) 1_555 1_555 1_555 109.60(16) yes
C(4) C(14) H(14C) 1_555 1_555 1_555 109.37(16) yes
C(4) C(14) H(14D) 1_555 1_555 1_555 109.47(17) yes
C(4) C(14) H(14E) 1_555 1_555 1_555 109.40(17) yes
C(4) C(14) H(14F) 1_555 1_555 1_555 109.62(15) yes
H(14A) C(14) H(14B) 1_555 1_555 1_555 109.65(17) yes
H(14A) C(14) H(14C) 1_555 1_555 1_555 109.33(17) yes
H(14A) C(14) H(14D) 1_555 1_555 1_555 141.0(3) yes
H(14A) C(14) H(14E) 1_555 1_555 1_555 56.23(10) yes
H(14A) C(14) H(14F) 1_555 1_555 1_555 56.36(9) yes
H(14B) C(14) H(14C) 1_555 1_555 1_555 109.35(18) yes
H(14B) C(14) H(14D) 1_555 1_555 1_555 56.25(10) yes
H(14B) C(14) H(14E) 1_555 1_555 1_555 141.0(3) yes
H(14B) C(14) H(14F) 1_555 1_555 1_555 56.36(8) yes
H(14C) C(14) H(14D) 1_555 1_555 1_555 56.13(9) yes
H(14C) C(14) H(14E) 1_555 1_555 1_555 56.12(8) yes
H(14C) C(14) H(14F) 1_555 1_555 1_555 141.0(3) yes
H(14D) C(14) H(14E) 1_555 1_555 1_555 109.24(15) yes
H(14D) C(14) H(14F) 1_555 1_555 1_555 109.56(18) yes
H(14E) C(14) H(14F) 1_555 1_555 1_555 109.54(19) yes
C(5) C(15) H(15A) 1_555 1_555 1_555 109.49(14) yes
C(5) C(15) H(15B) 1_555 1_555 1_555 109.54(11) yes
C(5) C(15) H(15C) 1_555 1_555 1_555 109.68(12) yes
C(5) C(15) H(15D) 1_555 1_555 1_555 109.65(15) yes
C(5) C(15) H(15E) 1_555 1_555 1_555 109.60(11) yes
C(5) C(15) H(15F) 1_555 1_555 1_555 109.46(9) yes
H(15A) C(15) H(15B) 1_555 1_555 1_555 109.19(13) yes
H(15A) C(15) H(15C) 1_555 1_555 1_555 109.43(11) yes
H(15A) C(15) H(15D) 1_555 1_555 1_555 140.86(11) yes
H(15A) C(15) H(15E) 1_555 1_555 1_555 56.19(9) yes
H(15A) C(15) H(15F) 1_555 1_555 1_555 56.10(10) yes
H(15B) C(15) H(15C) 1_555 1_555 1_555 109.49(15) yes
H(15B) C(15) H(15D) 1_555 1_555 1_555 56.24(9) yes
H(15B) C(15) H(15E) 1_555 1_555 1_555 140.85(11) yes
H(15B) C(15) H(15F) 1_555 1_555 1_555 56.12(6) yes
H(15C) C(15) H(15D) 1_555 1_555 1_555 56.32(9) yes
H(15C) C(15) H(15E) 1_555 1_555 1_555 56.30(5) yes
H(15C) C(15) H(15F) 1_555 1_555 1_555 140.85(11) yes
H(15D) C(15) H(15E) 1_555 1_555 1_555 109.55(10) yes
H(15D) C(15) H(15F) 1_555 1_555 1_555 109.31(12) yes
H(15E) C(15) H(15F) 1_555 1_555 1_555 109.25(17) yes
C(6) C(16) H(16A) 1_555 1_555 1_555 109.47(14) yes
C(6) C(16) H(16B) 1_555 1_555 1_555 109.40(16) yes
C(6) C(16) H(16C) 1_555 1_555 1_555 109.41(19) yes
C(6) C(16) H(16D) 1_555 1_555 1_555 109.4(2) yes
C(6) C(16) H(16E) 1_555 1_555 1_555 109.45(14) yes
C(6) C(16) H(16F) 1_555 1_555 1_555 109.44(13) yes
H(16A) C(16) H(16B) 1_555 1_555 1_555 109.5(2) yes
H(16A) C(16) H(16C) 1_555 1_555 1_555 109.73(17) yes
H(16A) C(16) H(16D) 1_555 1_555 1_555 141.1(2) yes
H(16A) C(16) H(16E) 1_555 1_555 1_555 56.41(11) yes
H(16A) C(16) H(16F) 1_555 1_555 1_555 56.32(12) yes
H(16B) C(16) H(16C) 1_555 1_555 1_555 109.34(14) yes
H(16B) C(16) H(16D) 1_555 1_555 1_555 56.12(8) yes
H(16B) C(16) H(16E) 1_555 1_555 1_555 141.1(2) yes
H(16B) C(16) H(16F) 1_555 1_555 1_555 56.17(9) yes
H(16C) C(16) H(16D) 1_555 1_555 1_555 56.21(8) yes
H(16C) C(16) H(16E) 1_555 1_555 1_555 56.36(8) yes
H(16C) C(16) H(16F) 1_555 1_555 1_555 141.1(2) yes
H(16D) C(16) H(16E) 1_555 1_555 1_555 109.55(14) yes
H(16D) C(16) H(16F) 1_555 1_555 1_555 109.31(14) yes
H(16E) C(16) H(16F) 1_555 1_555 1_555 109.7(2) yes
C(7) C(17) H(17A) 1_555 1_555 1_555 109.49(12) yes
C(7) C(17) H(17B) 1_555 1_555 1_555 109.43(15) yes
C(7) C(17) H(17C) 1_555 1_555 1_555 109.42(14) yes
H(17A) C(17) H(17B) 1_555 1_555 1_555 109.54(15) yes
H(17A) C(17) H(17C) 1_555 1_555 1_555 109.58(17) yes
H(17B) C(17) H(17C) 1_555 1_555 1_555 109.36(12) yes
C(8) C(18) H(18A) 1_555 1_555 1_555 109.90(16) yes
C(8) C(18) H(18B) 1_555 1_555 1_555 109.25(14) yes
C(8) C(18) H(18C) 1_555 1_555 1_555 109.60(15) yes
H(18A) C(18) H(18B) 1_555 1_555 1_555 109.42(17) yes
H(18A) C(18) H(18C) 1_555 1_555 1_555 109.70(15) yes
H(18B) C(18) H(18C) 1_555 1_555 1_555 108.96(17) yes
C(9) C(19) H(19A) 1_555 1_555 1_555 109.58(18) yes
C(9) C(19) H(19B) 1_555 1_555 1_555 109.5(2) yes
C(9) C(19) H(19C) 1_555 1_555 1_555 109.70(16) yes
C(9) C(19) H(19D) 1_555 1_555 1_555 109.6(2) yes
C(9) C(19) H(19E) 1_555 1_555 1_555 109.68(16) yes
C(9) C(19) H(19F) 1_555 1_555 1_555 109.51(19) yes
H(19A) C(19) H(19B) 1_555 1_555 1_555 109.19(17) yes
H(19A) C(19) H(19C) 1_555 1_555 1_555 109.4(2) yes
H(19A) C(19) H(19D) 1_555 1_555 1_555 140.8(3) yes
H(19A) C(19) H(19E) 1_555 1_555 1_555 56.21(12) yes
H(19A) C(19) H(19F) 1_555 1_555 1_555 56.12(10) yes
H(19B) C(19) H(19C) 1_555 1_555 1_555 109.40(19) yes
H(19B) C(19) H(19D) 1_555 1_555 1_555 56.19(10) yes
H(19B) C(19) H(19E) 1_555 1_555 1_555 140.8(3) yes
H(19B) C(19) H(19F) 1_555 1_555 1_555 56.11(8) yes
H(19C) C(19) H(19D) 1_555 1_555 1_555 56.28(10) yes
H(19C) C(19) H(19E) 1_555 1_555 1_555 56.29(10) yes
H(19C) C(19) H(19F) 1_555 1_555 1_555 140.8(3) yes
H(19D) C(19) H(19E) 1_555 1_555 1_555 109.5(2) yes
H(19D) C(19) H(19F) 1_555 1_555 1_555 109.25(16) yes
H(19E) C(19) H(19F) 1_555 1_555 1_555 109.3(2) yes
C(10) C(20) H(20A) 1_555 1_555 1_555 109.85(14) yes
C(10) C(20) H(20B) 1_555 1_555 1_555 109.57(11) yes
C(10) C(20) H(20C) 1_555 1_555 1_555 109.29(12) yes
H(20A) C(20) H(20B) 1_555 1_555 1_555 109.66(13) yes
H(20A) C(20) H(20C) 1_555 1_555 1_555 109.29(11) yes
H(20B) C(20) H(20C) 1_555 1_555 1_555 109.16(15) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
ZN(1) ZN(2) 1_555 1_555 2.3186(3) yes
C(1) C(2) 1_555 1_555 1.4358(15) yes
C(1) C(5) 1_555 1_555 1.436(2) yes
C(1) C(11) 1_555 1_555 1.502(3) yes
C(2) C(3) 1_555 1_555 1.430(3) yes
C(2) C(12) 1_555 1_555 1.504(2) yes
C(3) C(4) 1_555 1_555 1.444(2) yes
C(3) C(13) 1_555 1_555 1.5051(17) yes
C(4) C(5) 1_555 1_555 1.438(2) yes
C(4) C(14) 1_555 1_555 1.496(3) yes
C(5) C(15) 1_555 1_555 1.5066(14) yes
C(6) C(7) 1_555 1_555 1.4357(16) yes
C(6) C(10) 1_555 1_555 1.438(2) yes
C(6) C(16) 1_555 1_555 1.505(3) yes
C(7) C(8) 1_555 1_555 1.431(3) yes
C(7) C(17) 1_555 1_555 1.502(2) yes
C(8) C(9) 1_555 1_555 1.441(2) yes
C(8) C(18) 1_555 1_555 1.5022(19) yes
C(9) C(10) 1_555 1_555 1.439(2) yes
C(9) C(19) 1_555 1_555 1.492(3) yes
C(10) C(20) 1_555 1_555 1.5067(16) yes
C(11) H(11A) 1_555 1_555 1.050(2) yes
C(11) H(11B) 1_555 1_555 1.0495(12) yes
C(11) H(11C) 1_555 1_555 1.0495(14) yes
C(12) H(12A) 1_555 1_555 1.050(2) yes
C(12) H(12B) 1_555 1_555 1.0495(12) yes
C(12) H(12C) 1_555 1_555 1.0495(13) yes
C(13) H(13A) 1_555 1_555 1.049(3) yes
C(13) H(13B) 1_555 1_555 1.0495(15) yes
C(13) H(13C) 1_555 1_555 1.0495(14) yes
C(14) H(14A) 1_555 1_555 1.0495(19) yes
C(14) H(14B) 1_555 1_555 1.0495(18) yes
C(14) H(14C) 1_555 1_555 1.0495(14) yes
C(14) H(14D) 1_555 1_555 1.0495(19) yes
C(14) H(14E) 1_555 1_555 1.0495(17) yes
C(14) H(14F) 1_555 1_555 1.0495(15) yes
C(15) H(15A) 1_555 1_555 1.050(2) yes
C(15) H(15B) 1_555 1_555 1.0495(14) yes
C(15) H(15C) 1_555 1_555 1.0495(12) yes
C(15) H(15D) 1_555 1_555 1.0495(19) yes
C(15) H(15E) 1_555 1_555 1.0495(14) yes
C(15) H(15F) 1_555 1_555 1.0495(14) yes
C(16) H(16A) 1_555 1_555 1.049(2) yes
C(16) H(16B) 1_555 1_555 1.0495(14) yes
C(16) H(16C) 1_555 1_555 1.0495(15) yes
C(16) H(16D) 1_555 1_555 1.0495(17) yes
C(16) H(16E) 1_555 1_555 1.0495(17) yes
C(16) H(16F) 1_555 1_555 1.049(2) yes
C(17) H(17A) 1_555 1_555 1.049(2) yes
C(17) H(17B) 1_555 1_555 1.0495(11) yes
C(17) H(17C) 1_555 1_555 1.0495(13) yes
C(18) H(18A) 1_555 1_555 1.050(3) yes
C(18) H(18B) 1_555 1_555 1.0495(17) yes
C(18) H(18C) 1_555 1_555 1.0495(15) yes
C(19) H(19A) 1_555 1_555 1.049(2) yes
C(19) H(19B) 1_555 1_555 1.0495(17) yes
C(19) H(19C) 1_555 1_555 1.0495(19) yes
C(19) H(19D) 1_555 1_555 1.050(2) yes
C(19) H(19E) 1_555 1_555 1.050(2) yes
C(19) H(19F) 1_555 1_555 1.0495(16) yes
C(20) H(20A) 1_555 1_555 1.050(2) yes
C(20) H(20B) 1_555 1_555 1.0495(13) yes
C(20) H(20C) 1_555 1_555 1.0495(14) yes
