#------------------------------------------------------------------------------
#$Date: 2017-03-05 07:02:51 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/18/7041893.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_7041893
loop_
_publ_author_name
'Bunzen, Hana'
'Grzywa, Maciej'
'Kalytta-Mewes, Andreas'
'Volkmer, Dirk'
_publ_section_title
;
 One-pot synthesis of ultrastable pentanuclear alkylzinc complexes.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2618
_journal_page_last               2625
_journal_paper_doi               10.1039/c6dt04778e
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C56 H68 N18 Zn5, C6 H6'
_chemical_formula_sum            'C62 H74 N18 Zn5'
_chemical_formula_weight         1398.24
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-01-23 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.1820(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.2540(4)
_cell_length_b                   18.4800(5)
_cell_length_c                   23.6173(6)
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.38
_cell_volume                     6454.7(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Diamond 4.0'
_computing_publication_material  Word
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0689
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            180327
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.938
_diffrn_reflns_theta_min         2.253
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.885
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_description       'block crystal'
_exptl_crystal_F_000             2888
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     810
_refine_ls_number_reflns         15462
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.936
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0285
_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)+(0.0278P)²+8.0940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0661
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12350
_reflns_number_total             15462
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04778e2.cif
_cod_data_source_block           Zn5Et4Me2bta6
_cod_depositor_comments          'Adding full bibliography for 7041893.cif.'
_cod_database_code               7041893
_shelx_shelxl_version_number     2016/6
_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.
;
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
Zn1 Zn 0.71801(2) 0.51378(2) 0.84483(2) 0.01085(5) Uani 1 1 d . . . . .
Zn2 Zn 0.51725(2) 0.54503(2) 0.72226(2) 0.01386(5) Uani 1 1 d . . . . .
Zn3 Zn 0.68893(2) 0.34469(2) 0.91836(2) 0.01384(5) Uani 1 1 d . . . . .
Zn4 Zn 0.91744(2) 0.50451(2) 0.78430(2) 0.01457(5) Uani 1 1 d . . . . .
Zn5 Zn 0.74060(2) 0.66267(2) 0.94885(2) 0.01320(5) Uani 1 1 d . . . . .
N1 N 0.58838(11) 0.38260(9) 0.84867(7) 0.0137(3) Uani 1 1 d . . . . .
N2 N 0.60066(11) 0.44285(9) 0.82049(7) 0.0132(3) Uani 1 1 d . . . . .
N3 N 0.53383(11) 0.45214(9) 0.77246(7) 0.0136(3) Uani 1 1 d . . . . .
N4 N 0.71470(11) 0.44014(9) 0.96312(7) 0.0136(3) Uani 1 1 d . . . . .
N5 N 0.72180(11) 0.50268(8) 0.93640(7) 0.0128(3) Uani 1 1 d . . . . .
N6 N 0.73524(11) 0.55760(9) 0.97429(7) 0.0137(3) Uani 1 1 d . . . . .
N7 N 0.79350(11) 0.35986(9) 0.87636(7) 0.0138(3) Uani 1 1 d . . . . .
N8 N 0.80641(11) 0.42171(9) 0.85086(7) 0.0130(3) Uani 1 1 d . . . . .
N9 N 0.87853(11) 0.41832(9) 0.82834(7) 0.0149(3) Uani 1 1 d . . . . .
N10 N 0.55334(11) 0.61495(9) 0.79153(7) 0.0135(3) Uani 1 1 d . . . . .
N11 N 0.62505(11) 0.60455(9) 0.83642(7) 0.0131(3) Uani 1 1 d . . . . .
N12 N 0.62983(11) 0.65563(9) 0.87709(7) 0.0134(3) Uani 1 1 d . . . . .
N13 N 0.83411(11) 0.64529(9) 0.89941(7) 0.0138(3) Uani 1 1 d . . . . .
N14 N 0.83036(11) 0.58822(9) 0.86444(7) 0.0137(3) Uani 1 1 d . . . . .
N15 N 0.89937(11) 0.58827(9) 0.83878(7) 0.0146(3) Uani 1 1 d . . . . .
N16 N 0.79101(11) 0.51695(9) 0.72870(7) 0.0145(3) Uani 1 1 d . . . . .
N17 N 0.71759(11) 0.52340(9) 0.74951(7) 0.0136(3) Uani 1 1 d . . . . .
N18 N 0.64363(11) 0.53437(9) 0.70668(7) 0.0140(3) Uani 1 1 d . . . . .
C1 C 0.50967(13) 0.35186(10) 0.81779(8) 0.0141(4) Uani 1 1 d . . . . .
C2 C 0.46165(14) 0.28994(11) 0.82839(9) 0.0180(4) Uani 1 1 d . . . . .
H2 H 0.483519 0.260419 0.861805 0.022 Uiso 1 1 calc R U . . .
C3 C 0.38193(14) 0.27414(11) 0.78835(10) 0.0202(4) Uani 1 1 d . . . . .
C4 C 0.35017(14) 0.31696(12) 0.73682(9) 0.0202(4) Uani 1 1 d . . . . .
C5 C 0.39682(13) 0.37706(11) 0.72692(9) 0.0179(4) Uani 1 1 d . . . . .
H5 H 0.376367 0.405409 0.692664 0.021 Uiso 1 1 calc R U . . .
C6 C 0.47604(13) 0.39542(10) 0.76916(8) 0.0142(4) Uani 1 1 d . . . . .
C7 C 0.32662(16) 0.21061(12) 0.79953(11) 0.0299(5) Uani 1 1 d . . . . .
H7A H 0.359724 0.184680 0.834442 0.045 Uiso 1 1 calc R U . . .
H7B H 0.315295 0.177911 0.765853 0.045 Uiso 1 1 calc R U . . .
H7C H 0.268867 0.227917 0.805572 0.045 Uiso 1 1 calc R U . . .
C8 C 0.26299(15) 0.29650(14) 0.69361(10) 0.0292(5) Uani 1 1 d . . . . .
H8A H 0.253546 0.328302 0.659440 0.044 Uiso 1 1 calc R U . . .
H8B H 0.212373 0.301784 0.712053 0.044 Uiso 1 1 calc R U . . .
H8C H 0.266581 0.246154 0.681331 0.044 Uiso 1 1 calc R U . . .
C9 C 0.85968(13) 0.31339(11) 0.86985(8) 0.0155(4) Uani 1 1 d . . . . .
C10 C 0.91347(13) 0.35058(11) 0.83943(8) 0.0166(4) Uani 1 1 d . . . . .
C11 C 0.98845(15) 0.31697(12) 0.82586(10) 0.0238(5) Uani 1 1 d . . . . .
H11 H 1.025419 0.342351 0.805492 0.029 Uiso 1 1 calc R U . . .
C12 C 1.00675(16) 0.24632(13) 0.84293(10) 0.0276(5) Uani 1 1 d . . . . .
C13 C 0.95132(16) 0.20814(12) 0.87420(10) 0.0259(5) Uani 1 1 d . . . . .
C14 C 0.87855(15) 0.24135(11) 0.88786(9) 0.0206(4) Uani 1 1 d . . . . .
H14 H 0.842104 0.216381 0.908843 0.025 Uiso 1 1 calc R U . . .
C15 C 0.9735(2) 0.13055(14) 0.89253(12) 0.0389(6) Uani 1 1 d . . . . .
H15A H 0.930454 0.112890 0.914089 0.058 Uiso 1 1 calc R U . . .
H15B H 1.034966 0.127941 0.917597 0.058 Uiso 1 1 calc R U . . .
H15C H 0.969390 0.100520 0.857773 0.058 Uiso 1 1 calc R U . . .
C16 C 1.08636(18) 0.20799(15) 0.82823(13) 0.0413(7) Uani 1 1 d . . . . .
H16A H 1.116390 0.240925 0.806446 0.062 Uiso 1 1 calc R U . . .
H16B H 1.064780 0.165207 0.804353 0.062 Uiso 1 1 calc R U . . .
H16C H 1.129311 0.193086 0.864392 0.062 Uiso 1 1 calc R U . . .
C17 C 0.72353(13) 0.45522(11) 1.02062(8) 0.0147(4) Uani 1 1 d . . . . .
C18 C 0.73676(13) 0.52948(11) 1.02762(8) 0.0142(4) Uani 1 1 d . . . . .
C19 C 0.74547(14) 0.56253(11) 1.08231(8) 0.0178(4) Uani 1 1 d . . . . .
H19 H 0.756284 0.613033 1.087311 0.021 Uiso 1 1 calc R U . . .
C20 C 0.73788(13) 0.51959(12) 1.12822(8) 0.0187(4) Uani 1 1 d . . . . .
C21 C 0.72572(14) 0.44298(12) 1.12145(9) 0.0194(4) Uani 1 1 d . . . . .
C22 C 0.71954(14) 0.41038(11) 1.06825(8) 0.0178(4) Uani 1 1 d . . . . .
H22 H 0.712820 0.359448 1.063749 0.021 Uiso 1 1 calc R U . . .
C23 C 0.71565(17) 0.39786(14) 1.17267(9) 0.0299(5) Uani 1 1 d . . . . .
H23A H 0.703827 0.347444 1.160264 0.045 Uiso 1 1 calc R U . . .
H23B H 0.665105 0.416330 1.187275 0.045 Uiso 1 1 calc R U . . .
H23C H 0.771482 0.400466 1.203764 0.045 Uiso 1 1 calc R U . . .
C24 C 0.73601(15) 0.55458(14) 1.18574(9) 0.0266(5) Uani 1 1 d . . . . .
H24A H 0.753011 0.605646 1.185024 0.040 Uiso 1 1 calc R U . . .
H24B H 0.778849 0.529808 1.217544 0.040 Uiso 1 1 calc R U . . .
H24C H 0.674944 0.550969 1.191940 0.040 Uiso 1 1 calc R U . . .
C25 C 0.51005(13) 0.67509(10) 0.80367(8) 0.0129(4) Uani 1 1 d . . . . .
C26 C 0.55766(13) 0.70072(10) 0.85795(8) 0.0133(4) Uani 1 1 d . . . . .
C27 C 0.52904(14) 0.76249(10) 0.88305(8) 0.0161(4) Uani 1 1 d . . . . .
H27 H 0.561724 0.779929 0.920048 0.019 Uiso 1 1 calc R U . . .
C28 C 0.45218(14) 0.79686(10) 0.85230(9) 0.0163(4) Uani 1 1 d . . . . .
C29 C 0.40322(13) 0.77095(11) 0.79597(8) 0.0151(4) Uani 1 1 d . . . . .
C30 C 0.43206(13) 0.71091(11) 0.77155(8) 0.0150(4) Uani 1 1 d . . . . .
H30 H 0.400434 0.693987 0.734131 0.018 Uiso 1 1 calc R U . . .
C31 C 0.31956(14) 0.81056(12) 0.76348(9) 0.0210(4) Uani 1 1 d . . . . .
H31A H 0.294846 0.786784 0.725864 0.032 Uiso 1 1 calc R U . . .
H31B H 0.335114 0.860770 0.756817 0.032 Uiso 1 1 calc R U . . .
H31C H 0.274342 0.809863 0.786655 0.032 Uiso 1 1 calc R U . . .
C32 C 0.41982(16) 0.86436(12) 0.87648(10) 0.0253(5) Uani 1 1 d . . . . .
H32A H 0.456930 0.873195 0.916031 0.038 Uiso 1 1 calc R U . . .
H32B H 0.356518 0.858238 0.877759 0.038 Uiso 1 1 calc R U . . .
H32C H 0.424944 0.905599 0.851409 0.038 Uiso 1 1 calc R U . . .
C33 C 0.94975(13) 0.64851(11) 0.85781(8) 0.0159(4) Uani 1 1 d . . . . .
C34 C 0.90853(13) 0.68425(11) 0.89635(8) 0.0149(4) Uani 1 1 d . . . . .
C35 C 0.94497(14) 0.74856(11) 0.92461(9) 0.0178(4) Uani 1 1 d . . . . .
H35 H 0.916768 0.772528 0.951045 0.021 Uiso 1 1 calc R U . . .
C36 C 1.02249(14) 0.77555(11) 0.91281(9) 0.0200(4) Uani 1 1 d . . . . .
C37 C 1.06461(15) 0.73927(12) 0.87243(10) 0.0227(5) Uani 1 1 d . . . . .
C38 C 1.02906(14) 0.67591(12) 0.84542(9) 0.0212(4) Uani 1 1 d . . . . .
H38 H 1.057300 0.651499 0.819229 0.025 Uiso 1 1 calc R U . . .
C39 C 1.14861(17) 0.77121(14) 0.85957(12) 0.0344(6) Uani 1 1 d . . . . .
H39A H 1.167385 0.741525 0.830230 0.052 Uiso 1 1 calc R U . . .
H39B H 1.197176 0.772299 0.895473 0.052 Uiso 1 1 calc R U . . .
H39C H 1.135865 0.820568 0.844649 0.052 Uiso 1 1 calc R U . . .
C40 C 1.06427(16) 0.84413(12) 0.94238(10) 0.0272(5) Uani 1 1 d . . . . .
H40A H 1.027344 0.862491 0.967853 0.041 Uiso 1 1 calc R U . . .
H40B H 1.067086 0.880564 0.912723 0.041 Uiso 1 1 calc R U . . .
H40C H 1.125497 0.833836 0.965748 0.041 Uiso 1 1 calc R U . . .
C41 C 0.76309(13) 0.52373(10) 0.66939(8) 0.0142(4) Uani 1 1 d . . . . .
C42 C 0.67021(13) 0.53484(10) 0.65550(8) 0.0143(4) Uani 1 1 d . . . . .
C43 C 0.62062(14) 0.54364(11) 0.59749(8) 0.0176(4) Uani 1 1 d . . . . .
H43 H 0.557285 0.552158 0.588335 0.021 Uiso 1 1 calc R U . . .
C44 C 0.66681(15) 0.53953(11) 0.55420(8) 0.0199(4) Uani 1 1 d . . . . .
C45 C 0.76258(15) 0.52758(11) 0.56831(9) 0.0196(4) Uani 1 1 d . . . . .
C46 C 0.81117(14) 0.52009(11) 0.62550(9) 0.0173(4) Uani 1 1 d . . . . .
H46 H 0.874742 0.512754 0.634990 0.021 Uiso 1 1 calc R U . . .
C47 C 0.61615(17) 0.54788(14) 0.49140(9) 0.0306(5) Uani 1 1 d . . . . .
H47A H 0.552154 0.557088 0.489267 0.046 Uiso 1 1 calc R U . . .
H47B H 0.621922 0.503408 0.470000 0.046 Uiso 1 1 calc R U . . .
H47C H 0.641344 0.588592 0.473977 0.046 Uiso 1 1 calc R U . . .
C48 C 0.81119(17) 0.52316(13) 0.51956(9) 0.0278(5) Uani 1 1 d . . . . .
H48A H 0.875012 0.511445 0.536042 0.042 Uiso 1 1 calc R U . . .
H48B H 0.806607 0.569812 0.499317 0.042 Uiso 1 1 calc R U . . .
H48C H 0.783372 0.485374 0.491836 0.042 Uiso 1 1 calc R U . . .
C49 C 0.68099(17) 0.24838(12) 0.95390(10) 0.0265(5) Uani 1 1 d . . . . .
H49A H 0.675362 0.211797 0.922584 0.032 Uiso 1 1 calc R U . . .
H49B H 0.739407 0.239393 0.982365 0.032 Uiso 1 1 calc R U . . .
C50 C 0.60579(19) 0.23367(15) 0.98504(11) 0.0376(6) Uani 1 1 d . . . . .
H50A H 0.612401 0.266608 1.018345 0.056 Uiso 1 1 calc R U . . .
H50B H 0.610001 0.183516 0.998938 0.056 Uiso 1 1 calc R U . . .
H50C H 0.546824 0.241463 0.957786 0.056 Uiso 1 1 calc R U . . .
C51 C 1.03010(14) 0.50317(13) 0.75654(10) 0.0259(5) Uani 1 1 d . . . . .
H51A H 1.037205 0.551784 0.740622 0.031 Uiso 1 1 calc R U . . .
H51B H 1.081182 0.496411 0.791189 0.031 Uiso 1 1 calc R U . . .
C52 C 1.04125(16) 0.44765(14) 0.71073(10) 0.0293(5) Uani 1 1 d . . . . .
H52A H 1.037528 0.398700 0.725928 0.044 Uiso 1 1 calc R U . . .
H52B H 1.100216 0.454337 0.701859 0.044 Uiso 1 1 calc R U . . .
H52C H 0.993157 0.454359 0.675058 0.044 Uiso 1 1 calc R U . . .
C53 C 0.75594(15) 0.74830(12) 1.00142(9) 0.0234(5) Uani 1 1 d . . . . .
H53A H 0.817226 0.745584 1.027855 0.028 Uiso 1 1 calc R U . . .
H53B H 0.754436 0.791984 0.976943 0.028 Uiso 1 1 calc R U . . .
C54 C 0.68877(18) 0.76013(13) 1.03936(10) 0.0312(5) Uani 1 1 d . . . . .
H54A H 0.627547 0.764895 1.014241 0.047 Uiso 1 1 calc R U . . .
H54B H 0.704818 0.804336 1.062495 0.047 Uiso 1 1 calc R U . . .
H54C H 0.691010 0.718711 1.065592 0.047 Uiso 1 1 calc R U . . .
C55 C 0.41195(15) 0.55868(13) 0.65475(9) 0.0250(5) Uani 1 1 d . . . . .
H55A H 0.422540 0.603818 0.634841 0.030 Uiso 1 1 calc R U . . .
H55B H 0.412832 0.518504 0.627168 0.030 Uiso 1 1 calc R U . . .
C56 C 0.31574(15) 0.56287(14) 0.66357(11) 0.0317(5) Uani 1 1 d . . . . .
H56A H 0.303542 0.519675 0.684466 0.048 Uiso 1 1 calc R U . . .
H56B H 0.272211 0.565494 0.625460 0.048 Uiso 1 1 calc R U . . .
H56C H 0.310000 0.606110 0.686408 0.048 Uiso 1 1 calc R U . . .
C57 C 0.49902(16) 0.50901(19) 0.94191(11) 0.0424(7) Uani 1 1 d . . . . .
H57 H 0.498498 0.515282 0.901900 0.051 Uiso 1 1 calc R U . . .
C58 C 0.51312(17) 0.55867(19) 1.03727(12) 0.0433(7) Uani 1 1 d . . . . .
H58 H 0.522295 0.599101 1.062885 0.052 Uiso 1 1 calc R U . . .
C59 C 0.51199(17) 0.56797(19) 0.97892(12) 0.0437(7) Uani 1 1 d . . . . .
H59 H 0.520119 0.614792 0.964395 0.052 Uiso 1 1 calc R U . . .
C60A C 0.9548(5) 0.4979(13) 1.0436(3) 0.042(3) Uani 0.78(3) 1 d D . P A 1
H60A H 0.924277 0.496834 1.074213 0.051 Uiso 0.78(3) 1 calc R U P A 1
C61A C 0.9624(7) 0.4360(7) 1.0136(6) 0.041(3) Uani 0.78(3) 1 d D . P A 1
H61A H 0.936110 0.392090 1.022420 0.049 Uiso 0.78(3) 1 calc R U P A 1
C62A C 1.0089(10) 0.4381(7) 0.9702(5) 0.051(4) Uani 0.78(3) 1 d D . P A 1
H62A H 1.015873 0.395087 0.949669 0.062 Uiso 0.78(3) 1 calc R U P A 1
C60B C 0.9527(12) 0.466(2) 1.0294(13) 0.014(5) Uani 0.22(3) 1 d D . P A 2
H60B H 0.917134 0.440061 1.050396 0.017 Uiso 0.22(3) 1 calc R U P A 2
C61B C 0.9841(19) 0.4272(15) 0.989(2) 0.039(10) Uani 0.22(3) 1 d D . P A 2
H61B H 0.971472 0.376949 0.984455 0.047 Uiso 0.22(3) 1 calc R U P A 2
C62B C 1.034(2) 0.461(2) 0.9566(17) 0.040(9) Uani 0.22(3) 1 d D . P A 2
H62B H 1.056812 0.437963 0.927445 0.048 Uiso 0.22(3) 1 calc R U 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'
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
N8 Zn1 N14 92.18(6) . .
N8 Zn1 N5 89.78(6) . .
N14 Zn1 N5 91.18(6) . .
N8 Zn1 N11 177.90(6) . .
N14 Zn1 N11 89.63(6) . .
N5 Zn1 N11 91.23(6) . .
N8 Zn1 N2 90.16(6) . .
N14 Zn1 N2 176.46(6) . .
N5 Zn1 N2 91.48(6) . .
N11 Zn1 N2 87.98(6) . .
N8 Zn1 N17 88.68(6) . .
N14 Zn1 N17 88.39(6) . .
N5 Zn1 N17 178.38(6) . .
N11 Zn1 N17 90.32(6) . .
N2 Zn1 N17 89.01(6) . .
C55 Zn2 N10 124.58(8) . .
C55 Zn2 N18 118.56(8) . .
N10 Zn2 N18 97.05(6) . .
C55 Zn2 N3 121.89(9) . .
N10 Zn2 N3 95.42(6) . .
N18 Zn2 N3 91.99(6) . .
C49 Zn3 N4 125.39(8) . .
C49 Zn3 N1 121.86(9) . .
N4 Zn3 N1 97.46(6) . .
C49 Zn3 N7 116.94(8) . .
N4 Zn3 N7 93.28(6) . .
N1 Zn3 N7 94.58(6) . .
C51 Zn4 N16 122.78(8) . .
C51 Zn4 N9 122.37(9) . .
N16 Zn4 N9 93.86(6) . .
C51 Zn4 N15 118.16(8) . .
N16 Zn4 N15 93.79(6) . .
N9 Zn4 N15 99.49(6) . .
C53 Zn5 N6 125.47(8) . .
C53 Zn5 N13 118.79(8) . .
N6 Zn5 N13 95.80(6) . .
C53 Zn5 N12 120.35(8) . .
N6 Zn5 N12 95.57(6) . .
N13 Zn5 N12 93.72(6) . .
N2 N1 C1 107.05(15) . .
N2 N1 Zn3 120.67(12) . .
C1 N1 Zn3 131.64(13) . .
N1 N2 N3 111.06(15) . .
N1 N2 Zn1 125.25(12) . .
N3 N2 Zn1 123.56(12) . .
N2 N3 C6 107.37(16) . .
N2 N3 Zn2 123.64(12) . .
C6 N3 Zn2 128.40(13) . .
N5 N4 C17 107.16(15) . .
N5 N4 Zn3 122.05(12) . .
C17 N4 Zn3 130.73(13) . .
N4 N5 N6 111.01(14) . .
N4 N5 Zn1 124.80(12) . .
N6 N5 Zn1 124.14(12) . .
N5 N6 C18 107.21(16) . .
N5 N6 Zn5 122.46(12) . .
C18 N6 Zn5 130.15(13) . .
N8 N7 C9 107.15(16) . .
N8 N7 Zn3 123.00(12) . .
C9 N7 Zn3 129.84(13) . .
N7 N8 N9 111.60(15) . .
N7 N8 Zn1 123.33(12) . .
N9 N8 Zn1 125.04(12) . .
N8 N9 C10 106.76(16) . .
N8 N9 Zn4 122.03(12) . .
C10 N9 Zn4 131.19(13) . .
N11 N10 C25 107.20(15) . .
N11 N10 Zn2 123.31(12) . .
C25 N10 Zn2 129.36(13) . .
N12 N11 N10 111.00(15) . .
N12 N11 Zn1 124.06(12) . .
N10 N11 Zn1 124.87(12) . .
N11 N12 C26 107.18(15) . .
N11 N12 Zn5 121.30(12) . .
C26 N12 Zn5 131.16(13) . .
N14 N13 C34 107.19(15) . .
N14 N13 Zn5 122.65(12) . .
C34 N13 Zn5 130.13(13) . .
N13 N14 N15 111.19(15) . .
N13 N14 Zn1 123.31(12) . .
N15 N14 Zn1 125.11(12) . .
N14 N15 C33 107.07(16) . .
N14 N15 Zn4 121.32(12) . .
C33 N15 Zn4 131.56(13) . .
N17 N16 C41 106.89(16) . .
N17 N16 Zn4 120.91(12) . .
C41 N16 Zn4 132.13(13) . .
N18 N17 N16 111.39(15) . .
N18 N17 Zn1 124.33(12) . .
N16 N17 Zn1 124.26(12) . .
N17 N18 C42 107.03(15) . .
N17 N18 Zn2 122.29(12) . .
C42 N18 Zn2 130.66(13) . .
N1 C1 C6 107.32(17) . .
N1 C1 C2 131.88(19) . .
C6 C1 C2 120.76(18) . .
C3 C2 C1 117.31(19) . .
C3 C2 H2 121.3 . .
C1 C2 H2 121.3 . .
C2 C3 C4 121.62(19) . .
C2 C3 C7 118.9(2) . .
C4 C3 C7 119.5(2) . .
C5 C4 C3 120.74(19) . .
C5 C4 C8 119.7(2) . .
C3 C4 C8 119.6(2) . .
C4 C5 C6 117.79(19) . .
C4 C5 H5 121.1 . .
C6 C5 H5 121.1 . .
N3 C6 C1 107.19(17) . .
N3 C6 C5 131.20(19) . .
C1 C6 C5 121.60(18) . .
C3 C7 H7A 109.5 . .
C3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N7 C9 C10 107.02(17) . .
N7 C9 C14 131.71(19) . .
C10 C9 C14 121.27(18) . .
N9 C10 C9 107.46(17) . .
N9 C10 C11 131.67(19) . .
C9 C10 C11 120.87(19) . .
C12 C11 C10 118.1(2) . .
C12 C11 H11 121.0 . .
C10 C11 H11 121.0 . .
C11 C12 C13 121.0(2) . .
C11 C12 C16 119.5(2) . .
C13 C12 C16 119.5(2) . .
C14 C13 C12 120.8(2) . .
C14 C13 C15 119.5(2) . .
C12 C13 C15 119.6(2) . .
C13 C14 C9 118.0(2) . .
C13 C14 H14 121.0 . .
C9 C14 H14 121.0 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C12 C16 H16A 109.5 . .
C12 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C12 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N4 C17 C18 107.27(17) . .
N4 C17 C22 131.52(19) . .
C18 C17 C22 121.20(18) . .
N6 C18 C17 107.35(16) . .
N6 C18 C19 131.50(19) . .
C17 C18 C19 121.10(18) . .
C20 C19 C18 117.89(19) . .
C20 C19 H19 121.1 . .
C18 C19 H19 121.1 . .
C19 C20 C21 121.18(18) . .
C19 C20 C24 119.1(2) . .
C21 C20 C24 119.55(19) . .
C22 C21 C20 120.87(18) . .
C22 C21 C23 119.5(2) . .
C20 C21 C23 119.55(19) . .
C21 C22 C17 117.68(19) . .
C21 C22 H22 121.2 . .
C17 C22 H22 121.2 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C20 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C20 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N10 C25 C26 107.55(17) . .
N10 C25 C30 131.32(18) . .
C26 C25 C30 121.13(18) . .
N12 C26 C25 107.07(16) . .
N12 C26 C27 131.66(18) . .
C25 C26 C27 121.27(18) . .
C28 C27 C26 117.77(18) . .
C28 C27 H27 121.1 . .
C26 C27 H27 121.1 . .
C27 C28 C29 121.14(18) . .
C27 C28 C32 119.96(19) . .
C29 C28 C32 118.86(18) . .
C30 C29 C28 120.71(18) . .
C30 C29 C31 119.83(18) . .
C28 C29 C31 119.46(18) . .
C29 C30 C25 117.96(18) . .
C29 C30 H30 121.0 . .
C25 C30 H30 121.0 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C28 C32 H32A 109.5 . .
C28 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C28 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N15 C33 C34 107.10(17) . .
N15 C33 C38 131.97(19) . .
C34 C33 C38 120.94(18) . .
N13 C34 C33 107.45(17) . .
N13 C34 C35 131.18(18) . .
C33 C34 C35 121.38(18) . .
C36 C35 C34 118.00(19) . .
C36 C35 H35 121.0 . .
C34 C35 H35 121.0 . .
C35 C36 C37 120.76(19) . .
C35 C36 C40 119.8(2) . .
C37 C36 C40 119.40(19) . .
C38 C37 C36 120.87(19) . .
C38 C37 C39 119.8(2) . .
C36 C37 C39 119.4(2) . .
C37 C38 C33 118.04(19) . .
C37 C38 H38 121.0 . .
C33 C38 H38 121.0 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C36 C40 H40A 109.5 . .
C36 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C36 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N16 C41 C42 107.42(16) . .
N16 C41 C46 131.41(19) . .
C42 C41 C46 121.16(18) . .
N18 C42 C41 107.27(16) . .
N18 C42 C43 131.23(19) . .
C41 C42 C43 121.50(18) . .
C44 C43 C42 117.82(19) . .
C44 C43 H43 121.1 . .
C42 C43 H43 121.1 . .
C43 C44 C45 120.86(18) . .
C43 C44 C47 119.6(2) . .
C45 C44 C47 119.57(19) . .
C46 C45 C44 121.04(18) . .
C46 C45 C48 119.5(2) . .
C44 C45 C48 119.45(19) . .
C45 C46 C41 117.61(19) . .
C45 C46 H46 121.2 . .
C41 C46 H46 121.2 . .
C44 C47 H47A 109.5 . .
C44 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C44 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C50 C49 Zn3 119.54(17) . .
C50 C49 H49A 107.4 . .
Zn3 C49 H49A 107.4 . .
C50 C49 H49B 107.4 . .
Zn3 C49 H49B 107.4 . .
H49A C49 H49B 107.0 . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C52 C51 Zn4 119.83(16) . .
C52 C51 H51A 107.4 . .
Zn4 C51 H51A 107.4 . .
C52 C51 H51B 107.4 . .
Zn4 C51 H51B 107.4 . .
H51A C51 H51B 106.9 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C54 C53 Zn5 119.01(16) . .
C54 C53 H53A 107.6 . .
Zn5 C53 H53A 107.6 . .
C54 C53 H53B 107.6 . .
Zn5 C53 H53B 107.6 . .
H53A C53 H53B 107.0 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C56 C55 Zn2 120.72(15) . .
C56 C55 H55A 107.1 . .
Zn2 C55 H55A 107.1 . .
C56 C55 H55B 107.1 . .
Zn2 C55 H55B 107.1 . .
H55A C55 H55B 106.8 . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C58 C57 C59 120.2(3) 3_667 .
C58 C57 H57 119.9 3_667 .
C59 C57 H57 119.9 . .
C57 C58 C59 120.0(3) 3_667 .
C57 C58 H58 120.0 3_667 .
C59 C58 H58 120.0 . .
C57 C59 C58 119.8(3) . .
C57 C59 H59 120.1 . .
C58 C59 H59 120.1 . .
C61A C60A C62A 120.4(6) . 3_767
C61A C60A H60A 119.8 . .
C62A C60A H60A 119.8 3_767 .
C60A C61A C62A 119.1(9) . .
C60A C61A H61A 120.5 . .
C62A C61A H61A 120.5 . .
C60A C62A C61A 120.6(8) 3_767 .
C60A C62A H62A 119.7 3_767 .
C61A C62A H62A 119.7 . .
C61B C60B C62B 128.2(16) . 3_767
C61B C60B H60B 115.9 . .
C62B C60B H60B 115.9 3_767 .
C60B C61B C62B 119(3) . .
C60B C61B H61B 120.4 . .
C62B C61B H61B 120.4 . .
C61B C62B H62B 123.7 . .
C60B C62B H62B 123.7 3_767 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N8 2.1539(16) .
Zn1 N14 2.1576(16) .
Zn1 N5 2.1589(15) .
Zn1 N11 2.1740(16) .
Zn1 N2 2.1791(16) .
Zn1 N17 2.2568(15) .
Zn2 C55 1.983(2) .
Zn2 N10 2.0513(16) .
Zn2 N18 2.0587(16) .
Zn2 N3 2.0663(16) .
Zn3 C49 1.984(2) .
Zn3 N4 2.0443(16) .
Zn3 N1 2.0773(16) .
Zn3 N7 2.0933(16) .
Zn4 C51 1.984(2) .
Zn4 N16 2.0629(16) .
Zn4 N9 2.0671(17) .
Zn4 N15 2.0738(16) .
Zn5 C53 1.990(2) .
Zn5 N6 2.0401(16) .
Zn5 N13 2.0779(16) .
Zn5 N12 2.0834(16) .
N1 N2 1.334(2) .
N1 C1 1.366(2) .
N2 N3 1.337(2) .
N3 C6 1.359(2) .
N4 N5 1.334(2) .
N4 C17 1.360(2) .
N5 N6 1.335(2) .
N6 C18 1.358(2) .
N7 N8 1.329(2) .
N7 C9 1.362(2) .
N8 N9 1.336(2) .
N9 C10 1.361(3) .
N10 N11 1.338(2) .
N10 C25 1.359(2) .
N11 N12 1.336(2) .
N12 C26 1.366(2) .
N13 N14 1.332(2) .
N13 C34 1.361(3) .
N14 N15 1.337(2) .
N15 C33 1.365(3) .
N16 N17 1.334(2) .
N16 C41 1.366(2) .
N17 N18 1.333(2) .
N18 C42 1.366(2) .
C1 C6 1.393(3) .
C1 C2 1.414(3) .
C2 C3 1.376(3) .
C2 H2 0.9500 .
C3 C4 1.433(3) .
C3 C7 1.506(3) .
C4 C5 1.370(3) .
C4 C8 1.513(3) .
C5 C6 1.407(3) .
C5 H5 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.397(3) .
C9 C14 1.406(3) .
C10 C11 1.406(3) .
C11 C12 1.375(3) .
C11 H11 0.9500 .
C12 C13 1.437(3) .
C12 C16 1.518(3) .
C13 C14 1.374(3) .
C13 C15 1.512(3) .
C14 H14 0.9500 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.391(3) .
C17 C22 1.410(3) .
C18 C19 1.405(3) .
C19 C20 1.371(3) .
C19 H19 0.9500 .
C20 C21 1.432(3) .
C20 C24 1.511(3) .
C21 C22 1.376(3) .
C21 C23 1.508(3) .
C22 H22 0.9500 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.392(3) .
C25 C30 1.410(3) .
C26 C27 1.404(3) .
C27 C28 1.374(3) .
C27 H27 0.9500 .
C28 C29 1.439(3) .
C28 C32 1.505(3) .
C29 C30 1.372(3) .
C29 C31 1.508(3) .
C30 H30 0.9500 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.393(3) .
C33 C38 1.407(3) .
C34 C35 1.409(3) .
C35 C36 1.373(3) .
C35 H35 0.9500 .
C36 C37 1.439(3) .
C36 C40 1.511(3) .
C37 C38 1.379(3) .
C37 C39 1.508(3) .
C38 H38 0.9500 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C42 1.389(3) .
C41 C46 1.411(3) .
C42 C43 1.403(3) .
C43 C44 1.379(3) .
C43 H43 0.9500 .
C44 C45 1.434(3) .
C44 C47 1.503(3) .
C45 C46 1.379(3) .
C45 C48 1.517(3) .
C46 H46 0.9500 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.531(3) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 C52 1.531(3) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C54 1.533(3) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C56 1.534(3) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C58 1.373(4) 3_667
C57 C59 1.380(4) .
C57 H57 0.9500 .
C58 C59 1.385(4) .
C58 H58 0.9500 .
C59 H59 0.9500 .
C60A C61A 1.366(7) .
C60A C62A 1.379(10) 3_767
C60A H60A 0.9500 .
C61A C62A 1.384(8) .
C61A H61A 0.9500 .
C62A H62A 0.9500 .
C60B C61B 1.364(14) .
C60B C62B 1.38(3) 3_767
C60B H60B 0.9500 .
C61B C62B 1.366(16) .
C61B H61B 0.9500 .
C62B H62B 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_4
C1 N1 N2 N3 -0.5(2) . .
Zn3 N1 N2 N3 171.28(11) . .
C1 N1 N2 Zn1 -176.48(12) . .
Zn3 N1 N2 Zn1 -4.65(19) . .
N1 N2 N3 C6 -0.3(2) . .
Zn1 N2 N3 C6 175.68(12) . .
N1 N2 N3 Zn2 171.51(11) . .
Zn1 N2 N3 Zn2 -12.5(2) . .
C17 N4 N5 N6 0.3(2) . .
Zn3 N4 N5 N6 177.59(11) . .
C17 N4 N5 Zn1 177.77(12) . .
Zn3 N4 N5 Zn1 -4.9(2) . .
N4 N5 N6 C18 -0.1(2) . .
Zn1 N5 N6 C18 -177.62(12) . .
N4 N5 N6 Zn5 -175.61(12) . .
Zn1 N5 N6 Zn5 6.9(2) . .
C9 N7 N8 N9 -0.6(2) . .
Zn3 N7 N8 N9 178.59(12) . .
C9 N7 N8 Zn1 177.51(12) . .
Zn3 N7 N8 Zn1 -3.3(2) . .
N7 N8 N9 C10 0.6(2) . .
Zn1 N8 N9 C10 -177.49(12) . .
N7 N8 N9 Zn4 179.06(11) . .
Zn1 N8 N9 Zn4 1.0(2) . .
C25 N10 N11 N12 0.0(2) . .
Zn2 N10 N11 N12 -176.15(12) . .
C25 N10 N11 Zn1 176.99(12) . .
Zn2 N10 N11 Zn1 0.9(2) . .
N10 N11 N12 C26 0.5(2) . .
Zn1 N11 N12 C26 -176.52(12) . .
N10 N11 N12 Zn5 -173.33(11) . .
Zn1 N11 N12 Zn5 9.6(2) . .
C34 N13 N14 N15 0.1(2) . .
Zn5 N13 N14 N15 -178.22(12) . .
C34 N13 N14 Zn1 -173.06(12) . .
Zn5 N13 N14 Zn1 8.6(2) . .
N13 N14 N15 C33 -0.4(2) . .
Zn1 N14 N15 C33 172.63(12) . .
N13 N14 N15 Zn4 177.21(12) . .
Zn1 N14 N15 Zn4 -9.8(2) . .
C41 N16 N17 N18 -0.3(2) . .
Zn4 N16 N17 N18 177.00(12) . .
C41 N16 N17 Zn1 178.06(12) . .
Zn4 N16 N17 Zn1 -4.6(2) . .
N16 N17 N18 C42 0.2(2) . .
Zn1 N17 N18 C42 -178.17(12) . .
N16 N17 N18 Zn2 178.88(12) . .
Zn1 N17 N18 Zn2 0.5(2) . .
N2 N1 C1 C6 1.2(2) . .
Zn3 N1 C1 C6 -169.41(13) . .
N2 N1 C1 C2 -176.70(19) . .
Zn3 N1 C1 C2 12.7(3) . .
N1 C1 C2 C3 178.79(19) . .
C6 C1 C2 C3 1.1(3) . .
C1 C2 C3 C4 2.2(3) . .
C1 C2 C3 C7 -177.20(18) . .
C2 C3 C4 C5 -2.6(3) . .
C7 C3 C4 C5 176.85(19) . .
C2 C3 C4 C8 178.86(19) . .
C7 C3 C4 C8 -1.7(3) . .
C3 C4 C5 C6 -0.6(3) . .
C8 C4 C5 C6 178.01(18) . .
N2 N3 C6 C1 1.1(2) . .
Zn2 N3 C6 C1 -170.28(13) . .
N2 N3 C6 C5 -177.68(19) . .
Zn2 N3 C6 C5 11.0(3) . .
N1 C1 C6 N3 -1.4(2) . .
C2 C1 C6 N3 176.78(17) . .
N1 C1 C6 C5 177.50(17) . .
C2 C1 C6 C5 -4.3(3) . .
C4 C5 C6 N3 -177.46(19) . .
C4 C5 C6 C1 4.0(3) . .
N8 N7 C9 C10 0.4(2) . .
Zn3 N7 C9 C10 -178.74(13) . .
N8 N7 C9 C14 -179.8(2) . .
Zn3 N7 C9 C14 1.1(3) . .
N8 N9 C10 C9 -0.3(2) . .
Zn4 N9 C10 C9 -178.62(13) . .
N8 N9 C10 C11 179.8(2) . .
Zn4 N9 C10 C11 1.5(3) . .
N7 C9 C10 N9 0.0(2) . .
C14 C9 C10 N9 -179.89(18) . .
N7 C9 C10 C11 179.84(19) . .
C14 C9 C10 C11 0.0(3) . .
N9 C10 C11 C12 -179.6(2) . .
C9 C10 C11 C12 0.6(3) . .
C10 C11 C12 C13 -0.6(3) . .
C10 C11 C12 C16 179.1(2) . .
C11 C12 C13 C14 0.0(4) . .
C16 C12 C13 C14 -179.7(2) . .
C11 C12 C13 C15 -179.8(2) . .
C16 C12 C13 C15 0.5(4) . .
C12 C13 C14 C9 0.6(3) . .
C15 C13 C14 C9 -179.7(2) . .
N7 C9 C14 C13 179.6(2) . .
C10 C9 C14 C13 -0.6(3) . .
N5 N4 C17 C18 -0.3(2) . .
Zn3 N4 C17 C18 -177.34(13) . .
N5 N4 C17 C22 178.3(2) . .
Zn3 N4 C17 C22 1.3(3) . .
N5 N6 C18 C17 -0.1(2) . .
Zn5 N6 C18 C17 174.94(13) . .
N5 N6 C18 C19 -177.5(2) . .
Zn5 N6 C18 C19 -2.5(3) . .
N4 C17 C18 N6 0.3(2) . .
C22 C17 C18 N6 -178.55(18) . .
N4 C17 C18 C19 178.00(17) . .
C22 C17 C18 C19 -0.8(3) . .
N6 C18 C19 C20 175.2(2) . .
C17 C18 C19 C20 -1.9(3) . .
C18 C19 C20 C21 2.9(3) . .
C18 C19 C20 C24 -172.93(18) . .
C19 C20 C21 C22 -1.3(3) . .
C24 C20 C21 C22 174.53(19) . .
C19 C20 C21 C23 -178.7(2) . .
C24 C20 C21 C23 -2.9(3) . .
C20 C21 C22 C17 -1.4(3) . .
C23 C21 C22 C17 176.00(19) . .
N4 C17 C22 C21 -176.1(2) . .
C18 C17 C22 C21 2.4(3) . .
N11 N10 C25 C26 -0.5(2) . .
Zn2 N10 C25 C26 175.33(13) . .
N11 N10 C25 C30 179.11(19) . .
Zn2 N10 C25 C30 -5.1(3) . .
N11 N12 C26 C25 -0.8(2) . .
Zn5 N12 C26 C25 172.22(13) . .
N11 N12 C26 C27 179.4(2) . .
Zn5 N12 C26 C27 -7.5(3) . .
N10 C25 C26 N12 0.8(2) . .
C30 C25 C26 N12 -178.84(17) . .
N10 C25 C26 C27 -179.42(17) . .
C30 C25 C26 C27 0.9(3) . .
N12 C26 C27 C28 179.88(19) . .
C25 C26 C27 C28 0.2(3) . .
C26 C27 C28 C29 -0.7(3) . .
C26 C27 C28 C32 -178.46(18) . .
C27 C28 C29 C30 0.2(3) . .
C32 C28 C29 C30 177.98(19) . .
C27 C28 C29 C31 -179.57(18) . .
C32 C28 C29 C31 -1.8(3) . .
C28 C29 C30 C25 0.9(3) . .
C31 C29 C30 C25 -179.36(17) . .
N10 C25 C30 C29 179.03(19) . .
C26 C25 C30 C29 -1.4(3) . .
N14 N15 C33 C34 0.5(2) . .
Zn4 N15 C33 C34 -176.77(13) . .
N14 N15 C33 C38 -180.0(2) . .
Zn4 N15 C33 C38 2.8(3) . .
N14 N13 C34 C33 0.2(2) . .
Zn5 N13 C34 C33 178.38(13) . .
N14 N13 C34 C35 -179.2(2) . .
Zn5 N13 C34 C35 -1.1(3) . .
N15 C33 C34 N13 -0.5(2) . .
C38 C33 C34 N13 179.97(18) . .
N15 C33 C34 C35 179.05(17) . .
C38 C33 C34 C35 -0.5(3) . .
N13 C34 C35 C36 179.8(2) . .
C33 C34 C35 C36 0.4(3) . .
C34 C35 C36 C37 0.4(3) . .
C34 C35 C36 C40 -179.65(19) . .
C35 C36 C37 C38 -1.1(3) . .
C40 C36 C37 C38 178.9(2) . .
C35 C36 C37 C39 178.8(2) . .
C40 C36 C37 C39 -1.2(3) . .
C36 C37 C38 C33 1.0(3) . .
C39 C37 C38 C33 -178.9(2) . .
N15 C33 C38 C37 -179.6(2) . .
C34 C33 C38 C37 -0.2(3) . .
N17 N16 C41 C42 0.3(2) . .
Zn4 N16 C41 C42 -176.60(13) . .
N17 N16 C41 C46 -178.7(2) . .
Zn4 N16 C41 C46 4.5(3) . .
N17 N18 C42 C41 0.0(2) . .
Zn2 N18 C42 C41 -178.55(13) . .
N17 N18 C42 C43 179.5(2) . .
Zn2 N18 C42 C43 1.0(3) . .
N16 C41 C42 N18 -0.2(2) . .
C46 C41 C42 N18 178.91(17) . .
N16 C41 C42 C43 -179.75(17) . .
C46 C41 C42 C43 -0.7(3) . .
N18 C42 C43 C44 -178.2(2) . .
C41 C42 C43 C44 1.2(3) . .
C42 C43 C44 C45 -0.8(3) . .
C42 C43 C44 C47 179.36(19) . .
C43 C44 C45 C46 -0.2(3) . .
C47 C44 C45 C46 179.6(2) . .
C43 C44 C45 C48 179.8(2) . .
C47 C44 C45 C48 -0.3(3) . .
C44 C45 C46 C41 0.8(3) . .
C48 C45 C46 C41 -179.28(19) . .
N16 C41 C46 C45 178.5(2) . .
C42 C41 C46 C45 -0.3(3) . .
C58 C57 C59 C58 0.3(4) 3_667 .
C57 C58 C59 C57 -0.3(4) 3_667 .
C62A C60A C61A C62A 1.5(11) 3_767 .
C60A C61A C62A C60A -1.6(11) . 3_767
C62B C60B C61B C62B -2(5) 3_767 .
C60B C61B C62B C60B 1(5) . 3_767
