#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/86/2018644.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_2018644
loop_
_publ_author_name
'Petrus, Rafał'
'Sobota, Piotr'
_publ_section_title
;
 Two tetranuclear zinc clusters, [Zn₄(μ₃-OEt)₂(μ₂-MalO)₄Et₂]
 and
 [Zn₄(μ₃-GueO)₂(μ₂-GueO)₂(μ₂-MalO)₂(MalO)₂]·2C₇H₈,
 containing defective dicubane core geometries (MalOH is maltol and GueOH
 is guethol)
;
_journal_coeditor_code           LG3088
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m275
_journal_page_last               m280
_journal_paper_doi               10.1107/S0108270112036773
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Zn4 (C6 H5 O3)4 (C8 H9 O2)4], 2C7 H8'
_chemical_formula_moiety         'C56 H56 O20 Zn4, 2(C7 H8)'
_chemical_formula_sum            'C70 H72 O20 Zn4'
_chemical_formula_weight         1494.78
_chemical_name_systematic
;
bis(μ₃-2-ethoxyphenolato-κ⁴O¹,O²:O¹:
O¹)bis(μ₂-2-ethoxyphenolato-κ³O¹,O²:
O¹)bis(μ₂-2-methyl-4-oxo-4H-pyran-3-olato-
κ³O³,O⁴:O³)bis(2-methyl-4-oxo-4H-
pyran-3-olato-κ²O³,O⁴)tetrazinc(II) toluene disolvate
;
_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           SHELXL-97
_cell_angle_alpha                92.97(3)
_cell_angle_beta                 110.48(3)
_cell_angle_gamma                97.61(3)
_cell_formula_units_Z            1
_cell_length_a                   10.715(3)
_cell_length_b                   12.578(3)
_cell_length_c                   12.794(4)
_cell_measurement_reflns_used    6166
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.9922
_cell_measurement_theta_min      2.8250
_cell_volume                     1592.1(9)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2007)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Kuma KM-4 CCD κ-geometry'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12797
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    1.566
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.2615
_exptl_crystal_size_mid          0.1819
_exptl_crystal_size_min          0.0989
_refine_diff_density_max         0.866
_refine_diff_density_min         -0.523
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         6742
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0878P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1440
_reflns_number_gt                4717
_reflns_number_total             6742
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            lg3088.cif
_cod_data_source_block           II
_cod_database_code               2018644
_cod_database_fobs_code          2018644
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
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.60621(4) 0.60550(3) 0.35835(3) 0.03244(14) Uani d . 1 1 . .
Zn Zn2 0.34994(4) 0.50106(3) 0.41584(3) 0.03083(14) Uani d . 1 1 . .
O O1 0.7067(3) 0.7149(2) 0.3035(2) 0.0511(8) Uani d . 1 1 . .
C C1 0.6550(5) 0.7112(4) 0.1965(3) 0.0477(11) Uani d . 1 1 . .
O O2 0.5008(3) 0.5597(2) 0.1839(3) 0.0563(8) Uani d . 1 1 . .
C C2 0.5486(5) 0.6279(4) 0.1323(4) 0.0490(11) Uani d . 1 1 . .
C C3 0.4968(6) 0.6292(4) 0.0121(4) 0.0624(14) Uani d . 1 1 . .
H H3 0.4240 0.5755 -0.0330 0.075 Uiso calc R 1 1 . .
C C4 0.5488(6) 0.7033(4) -0.0357(4) 0.0748(16) Uani d . 1 1 . .
H H4 0.5148 0.6999 -0.1152 0.090 Uiso calc R 1 1 . .
O O5 0.6491(4) 0.7847(3) 0.0236(3) 0.0812(12) Uani d . 1 1 . .
C C5 0.7017(6) 0.7882(4) 0.1390(4) 0.0649(14) Uani d . 1 1 . .
C C6 0.8058(7) 0.8849(5) 0.1929(5) 0.101(2) Uani d . 1 1 . .
H H6A 0.7727 0.9312 0.2380 0.151 Uiso calc R 1 1 . .
H H6B 0.8241 0.9251 0.1348 0.151 Uiso calc R 1 1 . .
H H6C 0.8890 0.8622 0.2413 0.151 Uiso calc R 1 1 . .
O O7 0.4300(3) 0.64291(19) 0.3763(2) 0.0332(6) Uani d . 1 1 . .
C C7 0.3617(4) 0.7227(3) 0.3860(3) 0.0322(8) Uani d . 1 1 . .
O O8 0.1997(3) 0.5915(2) 0.4082(2) 0.0393(6) Uani d . 1 1 . .
C C8 0.2366(4) 0.6892(3) 0.4023(3) 0.0371(9) Uani d . 1 1 . .
C C9 0.1601(4) 0.7732(3) 0.4111(4) 0.0456(10) Uani d . 1 1 . .
H H9 0.0758 0.7565 0.4206 0.055 Uiso calc R 1 1 . .
C C10 0.2107(5) 0.8760(3) 0.4056(4) 0.0497(11) Uani d . 1 1 . .
H H10 0.1594 0.9307 0.4111 0.060 Uiso calc R 1 1 . .
O O11 0.3264(3) 0.9051(2) 0.3932(2) 0.0457(7) Uani d . 1 1 . .
C C11 0.4039(4) 0.8287(3) 0.3830(3) 0.0367(9) Uani d . 1 1 . .
C C12 0.5325(5) 0.8772(3) 0.3720(4) 0.0504(11) Uani d . 1 1 . .
H H12A 0.5980 0.8275 0.3944 0.076 Uiso calc R 1 1 . .
H H12B 0.5684 0.9454 0.4206 0.076 Uiso calc R 1 1 . .
H H12C 0.5157 0.8907 0.2939 0.076 Uiso calc R 1 1 . .
O O13 0.2820(3) 0.37145(19) 0.47503(19) 0.0331(6) Uani d . 1 1 . .
C C13 0.1777(4) 0.3009(3) 0.4052(3) 0.0327(8) Uani d . 1 1 . .
O O14 0.2099(3) 0.3983(2) 0.2630(2) 0.0419(7) Uani d . 1 1 . .
C C14 0.1368(4) 0.3128(3) 0.2893(3) 0.0377(9) Uani d . 1 1 A .
C C15 0.0300(4) 0.2422(4) 0.2122(3) 0.0480(11) Uani d . 1 1 . .
H H15 0.0013 0.2514 0.1345 0.058 Uiso calc R 1 1 A .
C C16 -0.0339(4) 0.1585(4) 0.2496(4) 0.0523(11) Uani d . 1 1 A .
H H16 -0.1064 0.1093 0.1970 0.063 Uiso calc R 1 1 . .
C C17 0.0054(4) 0.1451(3) 0.3617(4) 0.0458(10) Uani d . 1 1 . .
H H17 -0.0402 0.0871 0.3859 0.055 Uiso calc R 1 1 A .
C C18 0.1120(4) 0.2161(3) 0.4404(3) 0.0349(8) Uani d . 1 1 A .
H H18 0.1393 0.2062 0.5178 0.042 Uiso calc R 1 1 . .
C C19A 0.2289(14) 0.3916(9) 0.1554(9) 0.037(3) Uiso d P 0.449(15) 1 A 1
H H19A 0.2081 0.3154 0.1226 0.045 Uiso calc PR 0.449(15) 1 A 1
H H19B 0.3240 0.4194 0.1666 0.045 Uiso calc PR 0.449(15) 1 A 1
C C20A 0.1396(15) 0.4553(12) 0.0790(14) 0.083(5) Uiso d P 0.449(15) 1 A 1
H H20A 0.1526 0.4510 0.0069 0.125 Uiso calc PR 0.449(15) 1 A 1
H H20B 0.1610 0.5307 0.1117 0.125 Uiso calc PR 0.449(15) 1 A 1
H H20C 0.0455 0.4269 0.0674 0.125 Uiso calc PR 0.449(15) 1 A 1
C C19B 0.178(2) 0.4317(16) 0.1493(16) 0.059(6) Uiso d P 0.365(16) 1 A 2
H H19C 0.2219 0.5067 0.1526 0.071 Uiso calc PR 0.365(16) 1 A 2
H H19D 0.0789 0.4282 0.1123 0.071 Uiso calc PR 0.365(16) 1 A 2
C C20B 0.229(2) 0.3550(15) 0.0840(18) 0.094(7) Uiso d P 0.365(16) 1 A 2
H H20D 0.2072 0.3742 0.0071 0.142 Uiso calc PR 0.365(16) 1 A 2
H H20E 0.1855 0.2809 0.0823 0.142 Uiso calc PR 0.365(16) 1 A 2
H H20F 0.3269 0.3603 0.1204 0.142 Uiso calc PR 0.365(16) 1 A 2
C C19C 0.177(4) 0.395(3) 0.142(3) 0.038(7) Uiso d P 0.186(14) 1 A 3
H H19E 0.0839 0.4083 0.1031 0.046 Uiso calc PR 0.186(14) 1 A 3
H H19F 0.1870 0.3240 0.1103 0.046 Uiso calc PR 0.186(14) 1 A 3
C C20C 0.278(4) 0.483(3) 0.131(3) 0.078(12) Uiso d P 0.186(14) 1 A 3
H H20G 0.2655 0.4858 0.0519 0.117 Uiso calc PR 0.186(14) 1 A 3
H H20H 0.3691 0.4688 0.1726 0.117 Uiso calc PR 0.186(14) 1 A 3
H H20I 0.2653 0.5518 0.1622 0.117 Uiso calc PR 0.186(14) 1 A 3
O O21 0.5266(2) 0.45997(18) 0.40162(19) 0.0290(5) Uani d . 1 1 . .
C C21 0.5523(4) 0.3671(3) 0.3585(3) 0.0322(8) Uani d . 1 1 A .
O O22 0.7396(3) 0.4760(2) 0.3459(2) 0.0402(6) Uani d . 1 1 . .
C C22 0.6689(4) 0.3732(3) 0.3307(3) 0.0356(9) Uani d . 1 1 A .
C C23 0.7061(4) 0.2817(3) 0.2945(3) 0.0430(10) Uani d . 1 1 . .
H H23 0.7857 0.2864 0.2770 0.052 Uiso calc R 1 1 A .
C C24 0.6260(5) 0.1824(3) 0.2838(3) 0.0474(11) Uani d . 1 1 A .
H H24 0.6513 0.1188 0.2592 0.057 Uiso calc R 1 1 . .
C C25 0.5116(4) 0.1758(3) 0.3082(3) 0.0401(9) Uani d . 1 1 . .
H H25 0.4564 0.1077 0.2990 0.048 Uiso calc R 1 1 A .
C C26 0.4748(4) 0.2680(3) 0.3468(3) 0.0340(8) Uani d . 1 1 A .
H H26 0.3957 0.2623 0.3651 0.041 Uiso calc R 1 1 . .
C C27 0.8752(4) 0.4920(3) 0.3463(3) 0.0412(9) Uani d . 1 1 A .
H H27A 0.9202 0.4310 0.3783 0.049 Uiso calc R 1 1 . .
H H27B 0.9264 0.5590 0.3947 0.049 Uiso calc R 1 1 . .
C C28 0.8772(4) 0.4998(4) 0.2305(3) 0.0480(11) Uani d . 1 1 . .
H H28A 0.8290 0.5579 0.1973 0.072 Uiso calc R 1 1 A .
H H28B 0.8331 0.4313 0.1841 0.072 Uiso calc R 1 1 . .
H H28C 0.9709 0.5153 0.2343 0.072 Uiso calc R 1 1 . .
C C29A 0.8042(9) 0.0513(6) 0.8963(8) 0.097(4) Uiso d PG 0.531(9) 1 B 1
C C30A 0.8697(8) 0.1478(7) 0.8787(8) 0.073(3) Uiso d PG 0.531(9) 1 B 1
H H30A 0.9400 0.1474 0.8497 0.087 Uiso calc PR 0.531(9) 1 B 1
C C31A 0.8325(10) 0.2449(6) 0.9037(9) 0.107(5) Uiso d PG 0.531(9) 1 B 1
H H31A 0.8773 0.3109 0.8917 0.128 Uiso calc PR 0.531(9) 1 B 1
C C32A 0.7297(10) 0.2455(6) 0.9462(9) 0.123(5) Uiso d PG 0.531(9) 1 B 1
H H32A 0.7042 0.3119 0.9633 0.148 Uiso calc PR 0.531(9) 1 B 1
C C33A 0.6641(8) 0.1490(7) 0.9638(7) 0.075(3) Uiso d PG 0.531(9) 1 B 1
H H33A 0.5938 0.1494 0.9929 0.090 Uiso calc PR 0.531(9) 1 B 1
C C34A 0.7013(8) 0.0519(6) 0.9389(7) 0.076(3) Uiso d PG 0.531(9) 1 B 1
H H34A 0.6565 -0.0141 0.9509 0.091 Uiso calc PR 0.531(9) 1 B 1
C C35A 0.814(2) -0.0486(15) 0.8732(16) 0.164(8) Uiso d P 0.531(9) 1 B 1
H H35A 0.7511 -0.0968 0.8962 0.246 Uiso calc PR 0.531(9) 1 B 1
H H35B 0.9066 -0.0607 0.9137 0.246 Uiso calc PR 0.531(9) 1 B 1
H H35C 0.7925 -0.0636 0.7923 0.246 Uiso calc PR 0.531(9) 1 B 1
C C29B 0.7086(7) 0.0975(6) 0.9330(8) 0.087(4) Uiso d PG 0.469(9) 1 B 2
C C30B 0.7754(9) 0.0156(5) 0.9132(8) 0.062(3) Uiso d PG 0.469(9) 1 B 2
H H30B 0.7444 -0.0570 0.9205 0.075 Uiso calc PR 0.469(9) 1 B 2
C C31B 0.8877(10) 0.0399(7) 0.8829(9) 0.105(4) Uiso d PG 0.469(9) 1 B 2
H H31B 0.9333 -0.0160 0.8693 0.126 Uiso calc PR 0.469(9) 1 B 2
C C32B 0.9331(9) 0.1461(8) 0.8723(9) 0.105(4) Uiso d PG 0.469(9) 1 B 2
H H32B 1.0098 0.1628 0.8515 0.126 Uiso calc PR 0.469(9) 1 B 2
C C33B 0.8663(10) 0.2280(6) 0.8920(9) 0.082(4) Uiso d PG 0.469(9) 1 B 2
H H33B 0.8973 0.3006 0.8848 0.099 Uiso calc PR 0.469(9) 1 B 2
C C34B 0.7541(8) 0.2037(6) 0.9224(7) 0.052(3) Uiso d PG 0.469(9) 1 B 2
H H34B 0.7084 0.2597 0.9359 0.063 Uiso calc PR 0.469(9) 1 B 2
C C35B 0.607(2) 0.0537(15) 0.9670(16) 0.143(8) Uiso d P 0.469(9) 1 B 2
H H35D 0.5589 0.1107 0.9816 0.215 Uiso calc PR 0.469(9) 1 B 2
H H35E 0.6449 0.0195 1.0358 0.215 Uiso calc PR 0.469(9) 1 B 2
H H35F 0.5433 -0.0005 0.9080 0.215 Uiso calc PR 0.469(9) 1 B 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'
O O 0.0106 0.0060 '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_3
_geom_angle
_geom_angle_publ_flag
O1 Zn1 O2 . . 82.41(12) yes
O1 Zn1 O7 . . 116.58(12) yes
O1 Zn1 O13 . 2_666 100.45(11) yes
O1 Zn1 O21 . . 164.48(12) yes
O1 Zn1 O22 . . 93.23(12) yes
O2 Zn1 O22 . . 85.32(12) yes
O7 Zn1 O2 . . 90.60(12) yes
O7 Zn1 O21 . . 77.98(10) yes
O7 Zn1 O22 . . 149.13(9) yes
O13 Zn1 O2 2_666 . 171.50(11) yes
O13 Zn1 O7 2_666 . 95.18(10) yes
O13 Zn1 O21 2_666 . 82.60(10) yes
O13 Zn1 O22 2_666 . 86.53(10) yes
O21 Zn1 O2 . . 92.56(11) yes
O21 Zn1 O22 . . 71.67(9) yes
O7 Zn2 O8 . . 80.02(10) yes
O7 Zn2 O14 . . 111.16(10) yes
O7 Zn2 O21 . . 79.22(10) yes
O7 Zn2 O21 . 2_666 92.66(10) yes
O8 Zn2 O14 . . 89.48(11) yes
O8 Zn2 O21 . . 159.09(10) yes
O8 Zn2 O21 . 2_666 98.31(10) yes
O13 Zn2 O7 . . 172.54(9) yes
O13 Zn2 O8 . . 99.01(11) yes
O13 Zn2 O14 . . 76.16(10) yes
O13 Zn2 O21 . . 101.90(10) yes
O13 Zn2 O21 . 2_666 80.14(10) yes
O14 Zn2 O21 . 2_666 155.94(9) yes
O21 Zn2 O14 . . 95.70(10) yes
O21 Zn2 O21 . 2_666 85.12(10) yes
O1 Zn1 Zn2 . 2_666 136.92(9) ?
O13 Zn1 Zn2 2_666 2_666 37.75(7) ?
O7 Zn1 Zn2 . 2_666 84.82(7) ?
O21 Zn1 Zn2 . 2_666 44.90(7) ?
O2 Zn1 Zn2 . 2_666 137.24(9) ?
O22 Zn1 Zn2 . 2_666 77.79(7) ?
O13 Zn2 Zn1 . 2_666 38.64(7) ?
O7 Zn2 Zn1 . 2_666 134.19(8) ?
O8 Zn2 Zn1 . 2_666 102.84(8) ?
O21 Zn2 Zn1 . 2_666 93.42(7) ?
O14 Zn2 Zn1 . 2_666 114.56(7) ?
O21 Zn2 Zn1 2_666 2_666 41.54(6) ?
C1 O1 Zn1 . . 110.8(3) ?
O1 C1 C5 . . 121.2(4) ?
O1 C1 C2 . . 121.1(4) ?
C5 C1 C2 . . 117.6(4) ?
C2 O2 Zn1 . . 107.0(3) ?
O2 C2 C1 . . 118.3(4) ?
O2 C2 C3 . . 124.0(4) ?
C1 C2 C3 . . 117.6(4) ?
C4 C3 C2 . . 120.9(5) ?
C4 C3 H3 . . 119.6 ?
C2 C3 H3 . . 119.6 ?
C3 C4 O5 . . 122.7(5) ?
C3 C4 H4 . . 118.6 ?
O5 C4 H4 . . 118.6 ?
C4 O5 C5 . . 118.9(4) ?
O5 C5 C1 . . 122.2(4) ?
O5 C5 C6 . . 112.9(4) ?
C1 C5 C6 . . 124.9(5) ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C7 O7 Zn2 . . 111.6(2) ?
C7 O7 Zn1 . . 145.2(2) ?
Zn2 O7 Zn1 . . 102.39(11) ?
O7 C7 C11 . . 124.6(4) ?
O7 C7 C8 . . 115.2(3) ?
C11 C7 C8 . . 120.1(3) ?
C8 O8 Zn2 . . 111.5(3) ?
O8 C8 C7 . . 120.0(3) ?
O8 C8 C9 . . 123.6(4) ?
C7 C8 C9 . . 116.4(4) ?
C10 C9 C8 . . 118.6(4) ?
C10 C9 H9 . . 120.7 ?
C8 C9 H9 . . 120.7 ?
O11 C10 C9 . . 124.1(4) ?
O11 C10 H10 . . 118.0 ?
C9 C10 H10 . . 118.0 ?
C10 O11 C11 . . 120.3(3) ?
C7 C11 O11 . . 120.5(4) ?
C7 C11 C12 . . 127.0(4) ?
O11 C11 C12 . . 112.4(3) ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C13 O13 Zn2 . . 118.9(2) ?
C13 O13 Zn1 . 2_666 137.3(2) ?
Zn2 O13 Zn1 . 2_666 103.60(11) ?
O13 C13 C18 . . 123.4(3) ?
O13 C13 C14 . . 117.5(3) ?
C18 C13 C14 . . 119.1(3) ?
C14 O14 C19A . . 119.6(5) ?
C14 O14 C19C . . 111.1(13) ?
C14 O14 C19B . . 123.8(9) ?
C14 O14 Zn2 . . 111.5(2) ?
C19A O14 Zn2 . . 124.4(5) ?
C19C O14 Zn2 . . 137.4(13) ?
C19B O14 Zn2 . . 123.3(8) ?
O14 C14 C15 . . 124.9(4) ?
O14 C14 C13 . . 114.5(3) ?
C15 C14 C13 . . 120.6(4) ?
C16 C15 C14 . . 119.1(4) ?
C16 C15 H15 . . 120.4 ?
C14 C15 H15 . . 120.4 ?
C17 C16 C15 . . 121.0(4) ?
C17 C16 H16 . . 119.5 ?
C15 C16 H16 . . 119.5 ?
C16 C17 C18 . . 120.4(4) ?
C16 C17 H17 . . 119.8 ?
C18 C17 H17 . . 119.8 ?
C13 C18 C17 . . 119.8(4) ?
C13 C18 H18 . . 120.1 ?
C17 C18 H18 . . 120.1 ?
O14 C19A C20A . . 109.5(10) ?
O14 C19A H19A . . 109.8 ?
C20A C19A H19A . . 109.8 ?
O14 C19A H19B . . 109.8 ?
C20A C19A H19B . . 109.8 ?
H19A C19A H19B . . 108.2 ?
C19A C20A H20A . . 109.5 ?
C19A C20A H20B . . 109.5 ?
H20A C20A H20B . . 109.5 ?
C19A C20A H20C . . 109.5 ?
H20A C20A H20C . . 109.5 ?
H20B C20A H20C . . 109.5 ?
O14 C19B C20B . . 107.4(15) ?
O14 C19B H19C . . 110.2 ?
C20B C19B H19C . . 110.2 ?
O14 C19B H19D . . 110.2 ?
C20B C19B H19D . . 110.2 ?
H19C C19B H19D . . 108.5 ?
C19B C20B H20D . . 109.5 ?
C19B C20B H20E . . 109.5 ?
H20D C20B H20E . . 109.5 ?
C19B C20B H20F . . 109.5 ?
H20D C20B H20F . . 109.5 ?
H20E C20B H20F . . 109.5 ?
O14 C19C C20C . . 103(2) ?
O14 C19C H19E . . 111.1 ?
C20C C19C H19E . . 111.1 ?
O14 C19C H19F . . 111.1 ?
C20C C19C H19F . . 111.1 ?
H19E C19C H19F . . 109.1 ?
C19C C20C H20G . . 109.5 ?
C19C C20C H20H . . 109.5 ?
H20G C20C H20H . . 109.5 ?
C19C C20C H20I . . 109.5 ?
H20G C20C H20I . . 109.5 ?
H20H C20C H20I . . 109.5 ?
C21 O21 Zn2 . . 131.5(2) ?
C21 O21 Zn1 . . 116.8(2) ?
Zn2 O21 Zn1 . . 100.39(10) ?
C21 O21 Zn2 . 2_666 111.6(2) ?
Zn2 O21 Zn2 . 2_666 94.89(10) ?
Zn1 O21 Zn2 . 2_666 93.57(10) ?
O21 C21 C26 . . 123.5(3) ?
O21 C21 C22 . . 117.8(3) ?
C26 C21 C22 . . 118.6(3) ?
C22 O22 C27 . . 120.0(3) ?
C22 O22 Zn1 . . 111.2(2) ?
C27 O22 Zn1 . . 128.7(2) ?
C23 C22 O22 . . 125.2(4) ?
C23 C22 C21 . . 120.9(4) ?
O22 C22 C21 . . 113.9(3) ?
C22 C23 C24 . . 119.3(4) ?
C22 C23 H23 . . 120.4 ?
C24 C23 H23 . . 120.4 ?
C25 C24 C23 . . 120.4(4) ?
C25 C24 H24 . . 119.8 ?
C23 C24 H24 . . 119.8 ?
C24 C25 C26 . . 120.5(4) ?
C24 C25 H25 . . 119.8 ?
C26 C25 H25 . . 119.8 ?
C21 C26 C25 . . 120.3(4) ?
C21 C26 H26 . . 119.8 ?
C25 C26 H26 . . 119.8 ?
O22 C27 C28 . . 111.6(3) ?
O22 C27 H27A . . 109.3 ?
C28 C27 H27A . . 109.3 ?
O22 C27 H27B . . 109.3 ?
C28 C27 H27B . . 109.3 ?
H27A C27 H27B . . 108.0 ?
C27 C28 H28A . . 109.5 ?
C27 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C27 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C35A C29A C30A . . 131.5(10) ?
C35A C29A C34A . . 108.4(10) ?
C30A C29A C34A . . 120.0 ?
C29A C30A C31A . . 120.0 ?
C29A C30A H30A . . 120.0 ?
C31A C30A H30A . . 120.0 ?
C32A C31A C30A . . 120.0 ?
C32A C31A H31A . . 120.0 ?
C30A C31A H31A . . 120.0 ?
C31A C32A C33A . . 120.0 ?
C31A C32A H32A . . 120.0 ?
C33A C32A H32A . . 120.0 ?
C34A C33A C32A . . 120.0 ?
C34A C33A H33A . . 120.0 ?
C32A C33A H33A . . 120.0 ?
C33A C34A C29A . . 120.0 ?
C33A C34A H34A . . 120.0 ?
C29A C34A H34A . . 120.0 ?
C29A C35A H35A . . 109.5 ?
C29A C35A H35B . . 109.5 ?
H35A C35A H35B . . 109.5 ?
C29A C35A H35C . . 109.5 ?
H35A C35A H35C . . 109.5 ?
H35B C35A H35C . . 109.5 ?
C35B C29B C30B . . 108.7(10) ?
C35B C29B C34B . . 131.2(10) ?
C30B C29B C34B . . 120.0 ?
C31B C30B C29B . . 120.0 ?
C31B C30B H30B . . 120.0 ?
C29B C30B H30B . . 120.0 ?
C32B C31B C30B . . 120.0 ?
C32B C31B H31B . . 120.0 ?
C30B C31B H31B . . 120.0 ?
C31B C32B C33B . . 120.0 ?
C31B C32B H32B . . 120.0 ?
C33B C32B H32B . . 120.0 ?
C34B C33B C32B . . 120.0 ?
C34B C33B H33B . . 120.0 ?
C32B C33B H33B . . 120.0 ?
C33B C34B C29B . . 120.0 ?
C33B C34B H34B . . 120.0 ?
C29B C34B H34B . . 120.0 ?
C29B C35B H35D . . 109.5 ?
C29B C35B H35E . . 109.5 ?
H35D C35B H35E . . 109.5 ?
C29B C35B H35F . . 109.5 ?
H35D C35B H35F . . 109.5 ?
H35E C35B H35F . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 O1 . 1.945(3) yes
Zn1 O2 . 2.126(3) yes
Zn1 O7 . 2.090(3) yes
Zn1 O13 2_666 2.030(2) yes
Zn1 O21 . 2.099(2) yes
Zn1 O22 . 2.339(3) yes
Zn2 O7 . 2.042(2) yes
Zn2 O8 . 2.069(3) yes
Zn2 O13 . 1.990(2) yes
Zn2 O14 . 2.217(3) yes
Zn2 O21 . 2.092(3) yes
Zn2 O21 2_666 2.234(3) yes
O1 C1 . 1.280(5) ?
C1 C5 . 1.390(6) ?
C1 C2 . 1.419(6) ?
O2 C2 . 1.270(5) ?
C2 C3 . 1.443(6) ?
C3 C4 . 1.309(7) ?
C3 H3 . 0.9500 ?
C4 O5 . 1.354(6) ?
C4 H4 . 0.9500 ?
O5 C5 . 1.380(6) ?
C5 C6 . 1.488(7) ?
C6 H6A . 0.9800 ?
C6 H6B . 0.9800 ?
C6 H6C . 0.9800 ?
O7 C7 . 1.343(4) ?
C7 C11 . 1.356(5) ?
C7 C8 . 1.440(5) ?
O8 C8 . 1.255(5) ?
C8 C9 . 1.443(6) ?
C9 C10 . 1.350(6) ?
C9 H9 . 0.9500 ?
C10 O11 . 1.312(5) ?
C10 H10 . 0.9500 ?
O11 C11 . 1.380(5) ?
C11 C12 . 1.487(6) ?
C12 H12A . 0.9800 ?
C12 H12B . 0.9800 ?
C12 H12C . 0.9800 ?
O13 C13 . 1.338(4) ?
O13 Zn1 2_666 2.030(2) ?
C13 C18 . 1.381(5) ?
C13 C14 . 1.414(5) ?
O14 C14 . 1.371(5) ?
O14 C19A . 1.460(11) ?
O14 C19C . 1.46(3) ?
O14 C19B . 1.471(19) ?
C14 C15 . 1.387(5) ?
C15 C16 . 1.377(6) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.373(6) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.395(5) ?
C17 H17 . 0.9500 ?
C18 H18 . 0.9500 ?
C19A C20A . 1.46(2) ?
C19A H19A . 0.9900 ?
C19A H19B . 0.9900 ?
C20A H20A . 0.9800 ?
C20A H20B . 0.9800 ?
C20A H20C . 0.9800 ?
C19B C20B . 1.52(3) ?
C19B H19C . 0.9900 ?
C19B H19D . 0.9900 ?
C20B H20D . 0.9800 ?
C20B H20E . 0.9800 ?
C20B H20F . 0.9800 ?
C19C C20C . 1.49(5) ?
C19C H19E . 0.9900 ?
C19C H19F . 0.9900 ?
C20C H20G . 0.9800 ?
C20C H20H . 0.9800 ?
C20C H20I . 0.9800 ?
O21 C21 . 1.367(4) ?
O21 Zn2 2_666 2.234(3) ?
C21 C26 . 1.373(5) ?
C21 C22 . 1.408(5) ?
O22 C22 . 1.377(4) ?
O22 C27 . 1.438(5) ?
C22 C23 . 1.375(5) ?
C23 C24 . 1.390(6) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.361(6) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.394(5) ?
C25 H25 . 0.9500 ?
C26 H26 . 0.9500 ?
C27 C28 . 1.497(5) ?
C27 H27A . 0.9900 ?
C27 H27B . 0.9900 ?
C28 H28A . 0.9800 ?
C28 H28B . 0.9800 ?
C28 H28C . 0.9800 ?
C29A C35A . 1.303(19) ?
C29A C30A . 1.3900 ?
C29A C34A . 1.3900 ?
C30A C31A . 1.3900 ?
C30A H30A . 0.9500 ?
C31A C32A . 1.3900 ?
C31A H31A . 0.9500 ?
C32A C33A . 1.3900 ?
C32A H32A . 0.9500 ?
C33A C34A . 1.3900 ?
C33A H33A . 0.9500 ?
C34A H34A . 0.9500 ?
C35A H35A . 0.9800 ?
C35A H35B . 0.9800 ?
C35A H35C . 0.9800 ?
C29B C35B . 1.37(2) ?
C29B C30B . 1.3900 ?
C29B C34B . 1.3900 ?
C30B C31B . 1.3900 ?
C30B H30B . 0.9500 ?
C31B C32B . 1.3900 ?
C31B H31B . 0.9500 ?
C32B C33B . 1.3900 ?
C32B H32B . 0.9500 ?
C33B C34B . 1.3900 ?
C33B H33B . 0.9500 ?
C34B H34B . 0.9500 ?
C35B H35D . 0.9800 ?
C35B H35E . 0.9800 ?
C35B H35F . 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C12 H12A O1 . 0.98 2.43 3.224(6) 137
C18 H18 O1 2_666 0.95 2.37 3.173(5) 142
C28 H28C O8 1_655 0.98 2.69 3.408(5) 131
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O13 Zn1 O1 C1 2_666 . 177.3(3)
O7 Zn1 O1 C1 . . -81.5(3)
O21 Zn1 O1 C1 . . 77.2(5)
O2 Zn1 O1 C1 . . 5.4(3)
O22 Zn1 O1 C1 . . 90.2(3)
Zn2 Zn1 O1 C1 2_666 . 165.7(2)
Zn1 O1 C1 C5 . . 173.9(4)
Zn1 O1 C1 C2 . . -6.6(5)
O1 Zn1 O2 C2 . . -3.7(3)
O7 Zn1 O2 C2 . . 113.1(3)
O21 Zn1 O2 C2 . . -168.9(3)
O22 Zn1 O2 C2 . . -97.6(3)
Zn2 Zn1 O2 C2 2_666 . -163.9(2)
Zn1 O2 C2 C1 . . 1.4(5)
Zn1 O2 C2 C3 . . -175.4(4)
O1 C1 C2 O2 . . 3.5(7)
C5 C1 C2 O2 . . -176.9(5)
O1 C1 C2 C3 . . -179.5(4)
C5 C1 C2 C3 . . 0.1(7)
O2 C2 C3 C4 . . 178.4(5)
C1 C2 C3 C4 . . 1.6(8)
C2 C3 C4 O5 . . -2.7(9)
C3 C4 O5 C5 . . 1.9(9)
C4 O5 C5 C1 . . -0.2(8)
C4 O5 C5 C6 . . -177.0(6)
O1 C1 C5 O5 . . 178.9(5)
C2 C1 C5 O5 . . -0.7(8)
O1 C1 C5 C6 . . -4.7(9)
C2 C1 C5 C6 . . 175.7(6)
O8 Zn2 O7 C7 . . 11.2(2)
O21 Zn2 O7 C7 . . -171.3(2)
O14 Zn2 O7 C7 . . 96.7(2)
O21 Zn2 O7 C7 2_666 . -86.8(2)
Zn1 Zn2 O7 C7 2_666 . -87.1(2)
O8 Zn2 O7 Zn1 . . -176.61(12)
O21 Zn2 O7 Zn1 . . 0.90(9)
O14 Zn2 O7 Zn1 . . -91.09(12)
O21 Zn2 O7 Zn1 2_666 . 85.42(11)
Zn1 Zn2 O7 Zn1 2_666 . 85.14(12)
O1 Zn1 O7 C7 . . -19.3(4)
O13 Zn1 O7 C7 2_666 . 85.1(4)
O21 Zn1 O7 C7 . . 166.4(4)
O2 Zn1 O7 C7 . . -101.1(4)
O22 Zn1 O7 C7 . . 177.0(3)
Zn2 Zn1 O7 C7 2_666 . 121.4(4)
O1 Zn1 O7 Zn2 . . 173.39(11)
O13 Zn1 O7 Zn2 2_666 . -82.19(12)
O21 Zn1 O7 Zn2 . . -0.90(9)
O2 Zn1 O7 Zn2 . . 91.58(12)
O22 Zn1 O7 Zn2 . . 9.7(2)
Zn2 Zn1 O7 Zn2 2_666 . -45.84(9)
Zn2 O7 C7 C11 . . 168.9(3)
Zn1 O7 C7 C11 . . 2.2(6)
Zn2 O7 C7 C8 . . -10.3(4)
Zn1 O7 C7 C8 . . -176.9(3)
O13 Zn2 O8 C8 . . 161.9(2)
O7 Zn2 O8 C8 . . -10.6(2)
O21 Zn2 O8 C8 . . -17.5(4)
O14 Zn2 O8 C8 . . -122.2(3)
O21 Zn2 O8 C8 2_666 . 80.6(3)
Zn1 Zn2 O8 C8 2_666 . 122.7(2)
Zn2 O8 C8 C7 . . 8.5(4)
Zn2 O8 C8 C9 . . -171.3(3)
O7 C7 C8 O8 . . 1.2(5)
C11 C7 C8 O8 . . -178.0(3)
O7 C7 C8 C9 . . -179.0(3)
C11 C7 C8 C9 . . 1.8(5)
O8 C8 C9 C10 . . 178.7(4)
C7 C8 C9 C10 . . -1.1(6)
C8 C9 C10 O11 . . -0.4(7)
C9 C10 O11 C11 . . 1.1(6)
O7 C7 C11 O11 . . 179.7(3)
C8 C7 C11 O11 . . -1.2(5)
O7 C7 C11 C12 . . -2.0(6)
C8 C7 C11 C12 . . 177.1(4)
C10 O11 C11 C7 . . -0.2(5)
C10 O11 C11 C12 . . -178.8(4)
O8 Zn2 O13 C13 . . 76.2(3)
O21 Zn2 O13 C13 . . -104.0(3)
O14 Zn2 O13 C13 . . -11.0(2)
O21 Zn2 O13 C13 2_666 . 173.1(3)
Zn1 Zn2 O13 C13 2_666 . 175.5(3)
O8 Zn2 O13 Zn1 . 2_666 -99.32(12)
O21 Zn2 O13 Zn1 . 2_666 80.45(12)
O14 Zn2 O13 Zn1 . 2_666 173.46(13)
O21 Zn2 O13 Zn1 2_666 2_666 -2.38(10)
Zn2 O13 C13 C18 . . -171.5(3)
Zn1 O13 C13 C18 2_666 . 2.0(6)
Zn2 O13 C13 C14 . . 10.7(4)
Zn1 O13 C13 C14 2_666 . -175.8(3)
O13 Zn2 O14 C14 . . 9.9(2)
O7 Zn2 O14 C14 . . -168.6(2)
O8 Zn2 O14 C14 . . -89.5(2)
O21 Zn2 O14 C14 . . 110.8(2)
O21 Zn2 O14 C14 2_666 . 20.0(4)
Zn1 Zn2 O14 C14 2_666 . 14.4(3)
O13 Zn2 O14 C19A . . -145.9(6)
O7 Zn2 O14 C19A . . 35.6(6)
O8 Zn2 O14 C19A . . 114.7(6)
O21 Zn2 O14 C19A . . -45.0(6)
O21 Zn2 O14 C19A 2_666 . -135.8(6)
Zn1 Zn2 O14 C19A 2_666 . -141.4(6)
O13 Zn2 O14 C19C . . -168(3)
O7 Zn2 O14 C19C . . 14(3)
O8 Zn2 O14 C19C . . 93(3)
O21 Zn2 O14 C19C . . -67(3)
O21 Zn2 O14 C19C 2_666 . -158(3)
Zn1 Zn2 O14 C19C 2_666 . -163(3)
O13 Zn2 O14 C19B . . 176.7(9)
O7 Zn2 O14 C19B . . -1.8(9)
O8 Zn2 O14 C19B . . 77.3(9)
O21 Zn2 O14 C19B . . -82.4(9)
O21 Zn2 O14 C19B 2_666 . -173.2(9)
Zn1 Zn2 O14 C19B 2_666 . -178.8(9)
C19A O14 C14 C15 . . -31.2(8)
C19C O14 C14 C15 . . -10.1(19)
C19B O14 C14 C15 . . 5.0(11)
Zn2 O14 C14 C15 . . 171.7(3)
C19A O14 C14 C13 . . 149.4(6)
C19C O14 C14 C13 . . 170.5(19)
C19B O14 C14 C13 . . -174.4(9)
Zn2 O14 C14 C13 . . -7.6(4)
O13 C13 C14 O14 . . -1.0(5)
C18 C13 C14 O14 . . -178.9(3)
O13 C13 C14 C15 . . 179.6(3)
C18 C13 C14 C15 . . 1.7(6)
O14 C14 C15 C16 . . 179.1(4)
C13 C14 C15 C16 . . -1.6(6)
C14 C15 C16 C17 . . 0.8(7)
C15 C16 C17 C18 . . -0.3(7)
O13 C13 C18 C17 . . -178.9(4)
C14 C13 C18 C17 . . -1.2(6)
C16 C17 C18 C13 . . 0.5(6)
C14 O14 C19A C20A . . 103.7(9)
C19C O14 C19A C20A . . 33(4)
C19B O14 C19A C20A . . -3.7(19)
Zn2 O14 C19A C20A . . -102.4(10)
C14 O14 C19B C20B . . -78.5(16)
C19A O14 C19B C20B . . 13.6(14)
C19C O14 C19B C20B . . -28(6)
Zn2 O14 C19B C20B . . 116.3(13)
C14 O14 C19C C20C . . -172(2)
C19A O14 C19C C20C . . -54(4)
C19B O14 C19C C20C . . 51(5)
Zn2 O14 C19C C20C . . 5(4)
O13 Zn2 O21 C21 . . 45.8(3)
O7 Zn2 O21 C21 . . -141.7(3)
O8 Zn2 O21 C21 . . -134.8(3)
O14 Zn2 O21 C21 . . -31.2(3)
O21 Zn2 O21 C21 2_666 . 124.7(3)
Zn1 Zn2 O21 C21 2_666 . 83.9(3)
O13 Zn2 O21 Zn1 . . -173.37(9)
O7 Zn2 O21 Zn1 . . -0.89(9)
O8 Zn2 O21 Zn1 . . 6.0(3)
O14 Zn2 O21 Zn1 . . 109.61(10)
O21 Zn2 O21 Zn1 2_666 . -94.54(11)
Zn1 Zn2 O21 Zn1 2_666 . -135.28(8)
O13 Zn2 O21 Zn2 . 2_666 -78.83(10)
O7 Zn2 O21 Zn2 . 2_666 93.65(10)
O8 Zn2 O21 Zn2 . 2_666 100.5(3)
O14 Zn2 O21 Zn2 . 2_666 -155.85(9)
O21 Zn2 O21 Zn2 2_666 2_666 0.0
Zn1 Zn2 O21 Zn2 2_666 2_666 -40.74(7)
O1 Zn1 O21 C21 . . -11.8(5)
O13 Zn1 O21 C21 2_666 . -114.2(2)
O7 Zn1 O21 C21 . . 148.8(2)
O2 Zn1 O21 C21 . . 58.8(2)
O22 Zn1 O21 C21 . . -25.5(2)
Zn2 Zn1 O21 C21 2_666 . -116.4(3)
O1 Zn1 O21 Zn2 . . -159.7(4)
O13 Zn1 O21 Zn2 2_666 . 97.81(11)
O7 Zn1 O21 Zn2 . . 0.88(9)
O2 Zn1 O21 Zn2 . . -89.20(13)
O22 Zn1 O21 Zn2 . . -173.41(12)
Zn2 Zn1 O21 Zn2 2_666 . 95.63(11)
O1 Zn1 O21 Zn2 . 2_666 104.7(4)
O13 Zn1 O21 Zn2 2_666 2_666 2.18(9)
O7 Zn1 O21 Zn2 . 2_666 -94.76(10)
O2 Zn1 O21 Zn2 . 2_666 175.17(11)
O22 Zn1 O21 Zn2 . 2_666 90.96(10)
Zn2 O21 C21 C26 . . -21.9(5)
Zn1 O21 C21 C26 . . -157.7(3)
Zn2 O21 C21 C26 2_666 . 96.3(4)
Zn2 O21 C21 C22 . . 161.8(2)
Zn1 O21 C21 C22 . . 25.9(4)
Zn2 O21 C21 C22 2_666 . -80.0(3)
O1 Zn1 O22 C22 . . -153.4(2)
O13 Zn1 O22 C22 2_666 . 106.4(2)
O7 Zn1 O22 C22 . . 12.1(3)
O21 Zn1 O22 C22 . . 23.0(2)
O2 Zn1 O22 C22 . . -71.3(2)
Zn2 Zn1 O22 C22 2_666 . 69.2(2)
O1 Zn1 O22 C27 . . 23.1(3)
O13 Zn1 O22 C27 2_666 . -77.2(3)
O7 Zn1 O22 C27 . . -171.5(3)
O21 Zn1 O22 C27 . . -160.5(3)
O2 Zn1 O22 C27 . . 105.2(3)
Zn2 Zn1 O22 C27 2_666 . -114.3(3)
C27 O22 C22 C23 . . -12.9(5)
Zn1 O22 C22 C23 . . 163.9(3)
C27 O22 C22 C21 . . 165.5(3)
Zn1 O22 C22 C21 . . -17.6(4)
O21 C21 C22 C23 . . 175.3(3)
C26 C21 C22 C23 . . -1.2(5)
O21 C21 C22 O22 . . -3.2(5)
C26 C21 C22 O22 . . -179.7(3)
O22 C22 C23 C24 . . 179.3(4)
C21 C22 C23 C24 . . 1.0(6)
C22 C23 C24 C25 . . 0.4(6)
C23 C24 C25 C26 . . -1.5(6)
O21 C21 C26 C25 . . -176.3(3)
C22 C21 C26 C25 . . 0.1(5)
C24 C25 C26 C21 . . 1.3(6)
C22 O22 C27 C28 . . 88.4(4)
Zn1 O22 C27 C28 . . -87.8(4)
C35A C29A C30A C31A . . 174.9(15)
C34A C29A C30A C31A . . 0.0
C29A C30A C31A C32A . . 0.0
C30A C31A C32A C33A . . 0.0
C31A C32A C33A C34A . . 0.0
C32A C33A C34A C29A . . 0.0
C35A C29A C34A C33A . . -176.0(12)
C30A C29A C34A C33A . . 0.0
C35B C29B C30B C31B . . -176.9(11)
C34B C29B C30B C31B . . 0.0
C29B C30B C31B C32B . . 0.0
C30B C31B C32B C33B . . 0.0
C31B C32B C33B C34B . . 0.0
C32B C33B C34B C29B . . 0.0
C35B C29B C34B C33B . . 176.1(14)
C30B C29B C34B C33B . . 0.0
