#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:58:11 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178675 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/86/4078684.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_4078684
loop_
_publ_author_name
'Petrus, Rafał'
'Sobota, Piotr'
_publ_section_title
;
 Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure,
 Solution Behavior, and Application in Ring-Opening Polymerization of
 Lactides
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              4755
_journal_paper_doi               10.1021/om300321h
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C32 H40 O14 Zn4, C7 H8'
_chemical_formula_sum            'C39 H48 O14 Zn4'
_chemical_formula_weight         1002.33
_chemical_name_systematic
; 
 ? 
;
_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                97.45(2)
_cell_angle_beta                 102.25(2)
_cell_angle_gamma                105.67(2)
_cell_formula_units_Z            1
_cell_length_a                   8.536(2)
_cell_length_b                   10.173(2)
_cell_length_c                   12.628(3)
_cell_measurement_reflns_used    11216
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.8220
_cell_measurement_theta_min      2.9567
_cell_volume                     1011.2(4)
_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 0.998
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_device_type  'KUMA KM4 CCD κ-geometry diffractometer'
_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  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20071
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         36.93
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    2.410
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             514
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.100
_refine_diff_density_min         -0.404
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         8752
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0496P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0817
_reflns_number_gt                6317
_reflns_number_total             8752
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300321h_si_002.cif
_cod_data_source_block           compound_4
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4078684
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.56797(2) 0.660605(16) 0.522287(13) 0.01827(4) Uani 1 1 d . . .
Zn2 Zn 0.41065(2) 0.494193(17) 0.275126(13) 0.01878(4) Uani 1 1 d . . .
O1 O 0.81477(14) 0.79375(11) 0.56301(9) 0.0240(2) Uani 1 1 d . . .
C1 C 0.88108(19) 0.79338(14) 0.48291(12) 0.0211(3) Uani 1 1 d . . .
C2 C 0.77886(18) 0.72030(14) 0.37269(12) 0.0195(2) Uani 1 1 d . . .
O2 O 0.61851(13) 0.65609(11) 0.36446(8) 0.02042(19) Uani 1 1 d . . .
C3 C 0.8528(2) 0.72404(16) 0.28679(13) 0.0244(3) Uani 1 1 d . . .
O3 O 1.02149(15) 0.79187(13) 0.30326(10) 0.0296(2) Uani 1 1 d . . .
C4 C 1.1164(2) 0.85801(17) 0.40507(15) 0.0293(3) Uani 1 1 d . . .
H4 H 1.2326 0.9040 0.4144 0.035 Uiso 1 1 calc R . .
C5 C 1.0549(2) 0.86214(16) 0.49414(14) 0.0262(3) Uani 1 1 d . . .
H5 H 1.1268 0.9107 0.5646 0.031 Uiso 1 1 calc R . .
C6 C 0.7715(2) 0.6594(2) 0.16897(14) 0.0342(4) Uani 1 1 d . . .
H6A H 0.8078 0.5781 0.1491 0.041 Uiso 1 1 calc R . .
H6B H 0.8042 0.7272 0.1229 0.041 Uiso 1 1 calc R . .
H6C H 0.6489 0.6301 0.1569 0.041 Uiso 1 1 calc R . .
C7 C 0.2878(2) 0.49341(17) 0.12282(12) 0.0260(3) Uani 1 1 d . . .
H7A H 0.3652 0.4925 0.0746 0.031 Uiso 1 1 calc R . .
H7B H 0.1935 0.4054 0.0965 0.031 Uiso 1 1 calc R . .
C8 C 0.2167(2) 0.6136(2) 0.10733(15) 0.0349(4) Uani 1 1 d . . .
H8A H 0.3088 0.7017 0.1299 0.042 Uiso 1 1 calc R . .
H8B H 0.1369 0.6147 0.1527 0.042 Uiso 1 1 calc R . .
H8C H 0.1585 0.6018 0.0293 0.042 Uiso 1 1 calc R . .
O9 O 0.35279(13) 0.50707(10) 0.42354(8) 0.01785(18) Uani 1 1 d . . .
C9 C 0.1947(2) 0.52262(16) 0.43565(13) 0.0242(3) Uani 1 1 d . . .
H9A H 0.2034 0.6227 0.4463 0.029 Uiso 1 1 calc R . .
H9B H 0.1718 0.4893 0.5027 0.029 Uiso 1 1 calc R . .
C10 C 0.0486(2) 0.44361(19) 0.33729(14) 0.0289(3) Uani 1 1 d . . .
H10A H 0.0652 0.4821 0.2718 0.035 Uiso 1 1 calc R . .
H10B H -0.0565 0.4525 0.3523 0.035 Uiso 1 1 calc R . .
H10C H 0.0425 0.3451 0.3240 0.035 Uiso 1 1 calc R . .
O11 O 0.48512(14) 0.83751(11) 0.53601(9) 0.0234(2) Uani 1 1 d . . .
C11 C 0.47375(18) 0.87634(14) 0.63206(12) 0.0192(2) Uani 1 1 d . . .
C12 C 0.48470(19) 0.78603(15) 0.71179(12) 0.0211(3) Uani 1 1 d . . .
O12 O 0.50932(15) 0.66642(11) 0.67650(8) 0.0230(2) Uani 1 1 d . . .
C13 C 0.4715(2) 0.82949(18) 0.81508(14) 0.0310(4) Uani 1 1 d . . .
O13 O 0.44459(18) 0.95456(13) 0.84493(10) 0.0349(3) Uani 1 1 d . . .
C14 C 0.4346(2) 1.03831(17) 0.77166(14) 0.0285(3) Uani 1 1 d . . .
H14 H 0.4156 1.1243 0.7938 0.034 Uiso 1 1 calc R . .
C15 C 0.4500(2) 1.00693(15) 0.66933(13) 0.0235(3) Uani 1 1 d . . .
H15 H 0.4452 1.0710 0.6212 0.028 Uiso 1 1 calc R . .
C16 C 0.4871(4) 0.7557(2) 0.90903(16) 0.0533(6) Uani 1 1 d . . .
H16A H 0.4329 0.6554 0.8816 0.080 Uiso 1 1 calc R . .
H16B H 0.4321 0.7897 0.9627 0.080 Uiso 1 1 calc R . .
H16C H 0.6065 0.7733 0.9449 0.080 Uiso 1 1 calc R . .
C17 C -0.0479(11) -0.0810(8) -0.1856(8) 0.0605(19) Uani 0.50 1 d P A -1
H17A H -0.1106 -0.0277 -0.2267 0.073 Uiso 0.50 1 calc PR A -1
H17B H -0.1154 -0.1794 -0.2033 0.073 Uiso 0.50 1 calc PR A -1
H17C H 0.0583 -0.0715 -0.2064 0.073 Uiso 0.50 1 calc PR A -1
C18 C -0.0127(5) -0.0283(4) -0.0682(2) 0.0383(8) Uani 0.50 1 d PG A -1
C19 C 0.0892(4) -0.0778(3) 0.0075(3) 0.0434(14) Uani 0.50 1 d PG A -1
H19 H 0.1381 -0.1453 -0.0178 0.052 Uiso 0.50 1 calc PR A -1
C20 C 0.1196(4) -0.0284(4) 0.1202(3) 0.0425(9) Uani 0.50 1 d PG A -1
H20 H 0.1893 -0.0622 0.1720 0.051 Uiso 0.50 1 calc PR A -1
C21 C 0.0481(5) 0.0704(4) 0.1572(2) 0.056(2) Uani 0.50 1 d PG A -1
H21 H 0.0689 0.1041 0.2342 0.067 Uiso 0.50 1 calc PR A -1
C22 C -0.0538(4) 0.1199(3) 0.0815(3) 0.0498(11) Uani 0.50 1 d PG A -1
H22 H -0.1026 0.1874 0.1068 0.060 Uiso 0.50 1 calc PR A -1
C23 C -0.0842(4) 0.0706(3) -0.0312(3) 0.0449(15) Uani 0.50 1 d PG A -1
H23 H -0.1538 0.1044 -0.0829 0.054 Uiso 0.50 1 calc PR A -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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O9 Zn1 O1 156.40(4) . .
O9 Zn1 O11 102.21(5) . .
O1 Zn1 O11 88.42(5) . .
O9 Zn1 O12 99.86(5) . .
O1 Zn1 O12 102.94(5) . .
O11 Zn1 O12 78.20(4) . .
O9 Zn1 O2 78.92(4) . .
O1 Zn1 O2 78.46(5) . .
O11 Zn1 O2 100.32(4) . .
O12 Zn1 O2 177.88(4) . .
O9 Zn1 O9 85.93(5) . 2_666
O1 Zn1 O9 92.52(5) . 2_666
O11 Zn1 O9 156.66(4) . 2_666
O12 Zn1 O9 78.87(4) . 2_666
O2 Zn1 O9 102.72(4) . 2_666
O9 Zn1 Zn1 43.63(3) . 2_666
O1 Zn1 Zn1 130.44(4) . 2_666
O11 Zn1 Zn1 141.06(3) . 2_666
O12 Zn1 Zn1 88.97(4) . 2_666
O2 Zn1 Zn1 91.30(4) . 2_666
O9 Zn1 Zn1 42.30(3) 2_666 2_666
C7 Zn2 O9 133.99(6) . .
C7 Zn2 O12 125.03(6) . 2_666
O9 Zn2 O12 82.69(4) . 2_666
C7 Zn2 O2 122.43(6) . .
O9 Zn2 O2 81.69(5) . .
O12 Zn2 O2 98.13(5) 2_666 .
C1 O1 Zn1 113.08(10) . .
O1 C1 C5 123.11(15) . .
O1 C1 C2 119.81(13) . .
C5 C1 C2 117.08(14) . .
O2 C2 C3 125.27(14) . .
O2 C2 C1 116.02(12) . .
C3 C2 C1 118.70(14) . .
C2 O2 Zn2 144.57(9) . .
C2 O2 Zn1 111.57(9) . .
Zn2 O2 Zn1 98.55(5) . .
C2 C3 O3 121.33(15) . .
C2 C3 C6 127.31(15) . .
O3 C3 C6 111.36(13) . .
C4 O3 C3 120.05(13) . .
C5 C4 O3 123.04(15) . .
C5 C4 H4 118.5 . .
O3 C4 H4 118.5 . .
C4 C5 C1 119.78(15) . .
C4 C5 H5 120.1 . .
C1 C5 H5 120.1 . .
C3 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 Zn2 116.82(12) . .
C8 C7 H7A 108.1 . .
Zn2 C7 H7A 108.1 . .
C8 C7 H7B 108.1 . .
Zn2 C7 H7B 108.1 . .
H7A C7 H7B 107.3 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C9 O9 Zn2 122.12(9) . .
C9 O9 Zn1 115.92(9) . .
Zn2 O9 Zn1 100.57(5) . .
C9 O9 Zn1 119.99(9) . 2_666
Zn2 O9 Zn1 98.99(4) . 2_666
Zn1 O9 Zn1 94.07(4) . 2_666
O9 C9 C10 113.08(12) . .
O9 C9 H9A 109.0 . .
C10 C9 H9A 109.0 . .
O9 C9 H9B 109.0 . .
C10 C9 H9B 109.0 . .
H9A C9 H9B 107.8 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C11 O11 Zn1 112.33(9) . .
O11 C11 C15 123.73(13) . .
O11 C11 C12 119.65(12) . .
C15 C11 C12 116.62(13) . .
O12 C12 C13 125.30(13) . .
O12 C12 C11 115.87(12) . .
C13 C12 C11 118.83(13) . .
C12 O12 Zn2 144.64(9) . 2_666
C12 O12 Zn1 111.74(9) . .
Zn2 O12 Zn1 99.46(5) 2_666 .
C12 C13 O13 121.75(14) . .
C12 C13 C16 126.87(15) . .
O13 C13 C16 111.36(14) . .
C14 O13 C13 119.61(13) . .
C15 C14 O13 123.31(14) . .
C15 C14 H14 118.3 . .
O13 C14 H14 118.3 . .
C14 C15 C11 119.84(14) . .
C14 C15 H15 120.1 . .
C11 C15 H15 120.1 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 120.0 . .
C19 C18 C17 120.5(4) . .
C23 C18 C17 119.5(4) . .
C18 C19 C20 120.0 . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C21 C20 C19 120.0 . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 120.0 . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C21 C22 C23 120.0 . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C22 C23 C18 120.0 . .
C22 C23 H23 120.0 . .
C18 C23 H23 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O9 2.0837(13) .
Zn1 O1 2.0869(13) .
Zn1 O11 2.1041(11) .
Zn1 O12 2.1087(11) .
Zn1 O2 2.1241(11) .
Zn1 O9 2.1365(11) 2_666
Zn1 Zn1 3.0885(8) 2_666
Zn2 C7 1.9834(16) .
Zn2 O9 2.0341(10) .
Zn2 O12 2.0480(11) 2_666
Zn2 O2 2.0551(12) .
O1 C1 1.2596(18) .
C1 C5 1.427(2) .
C1 C2 1.455(2) .
C2 O2 1.3229(18) .
C2 C3 1.366(2) .
C3 O3 1.375(2) .
C3 C6 1.480(2) .
O3 C4 1.342(2) .
C4 C5 1.339(2) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.521(2) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
O9 C9 1.4373(18) .
O9 Zn1 2.1365(11) 2_666
C9 C10 1.512(2) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
O11 C11 1.2582(18) .
C11 C15 1.432(2) .
C11 C12 1.453(2) .
C12 O12 1.3269(17) .
C12 C13 1.360(2) .
O12 Zn2 2.0480(11) 2_666
C13 O13 1.3724(19) .
C13 C16 1.486(3) .
O13 C14 1.341(2) .
C14 C15 1.333(2) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.447(9) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.3900 .
C18 C23 1.3900 .
C19 C20 1.3900 .
C19 H19 0.9500 .
C20 C21 1.3900 .
C20 H20 0.9500 .
C21 C22 1.3900 .
C21 H21 0.9500 .
C22 C23 1.3900 .
C22 H22 0.9500 .
C23 H23 0.9500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C10 H10C O1 0.98 2.50 3.234(2) 132.0 2_666
C15 H15 O11 0.95 2.42 3.276(2) 150.3 2_676
C21 H21 O1 0.95 2.51 3.445(3) 168.4 2_666
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
O9 Zn1 O1 C1 8.00(17) . .
O11 Zn1 O1 C1 -109.74(10) . .
O12 Zn1 O1 C1 172.75(10) . .
O2 Zn1 O1 C1 -8.87(10) . .
O9 Zn1 O1 C1 93.60(10) 2_666 .
Zn1 Zn1 O1 C1 72.88(11) 2_666 .
Zn1 O1 C1 C5 -171.82(11) . .
Zn1 O1 C1 C2 8.17(16) . .
O1 C1 C2 O2 -0.69(19) . .
C5 C1 C2 O2 179.31(12) . .
O1 C1 C2 C3 178.56(13) . .
C5 C1 C2 C3 -1.4(2) . .
C3 C2 O2 Zn2 27.6(3) . .
C1 C2 O2 Zn2 -153.22(12) . .
C3 C2 O2 Zn1 173.83(12) . .
C1 C2 O2 Zn1 -6.98(15) . .
C7 Zn2 O2 C2 -70.00(18) . .
O9 Zn2 O2 C2 152.38(16) . .
O12 Zn2 O2 C2 71.05(16) 2_666 .
C7 Zn2 O2 Zn1 141.51(6) . .
O9 Zn2 O2 Zn1 3.88(4) . .
O12 Zn2 O2 Zn1 -77.44(5) 2_666 .
O9 Zn1 O2 C2 -164.81(10) . .
O1 Zn1 O2 C2 8.39(9) . .
O11 Zn1 O2 C2 94.63(10) . .
O9 Zn1 O2 C2 -81.61(10) 2_666 .
Zn1 Zn1 O2 C2 -122.72(9) 2_666 .
O9 Zn1 O2 Zn2 -3.82(4) . .
O1 Zn1 O2 Zn2 169.38(5) . .
O11 Zn1 O2 Zn2 -104.39(5) . .
O9 Zn1 O2 Zn2 79.38(5) 2_666 .
Zn1 Zn1 O2 Zn2 38.26(4) 2_666 .
O2 C2 C3 O3 -179.05(13) . .
C1 C2 C3 O3 1.8(2) . .
O2 C2 C3 C6 0.3(3) . .
C1 C2 C3 C6 -178.85(15) . .
C2 C3 O3 C4 -1.0(2) . .
C6 C3 O3 C4 179.49(14) . .
C3 O3 C4 C5 -0.1(2) . .
O3 C4 C5 C1 0.3(2) . .
O1 C1 C5 C4 -179.59(15) . .
C2 C1 C5 C4 0.4(2) . .
O9 Zn2 C7 C8 53.76(16) . .
O12 Zn2 C7 C8 171.17(11) 2_666 .
O2 Zn2 C7 C8 -58.29(15) . .
C7 Zn2 O9 C9 -1.79(13) . .
O12 Zn2 O9 C9 -134.66(11) 2_666 .
O2 Zn2 O9 C9 125.96(11) . .
C7 Zn2 O9 Zn1 -131.73(7) . .
O12 Zn2 O9 Zn1 95.39(5) 2_666 .
O2 Zn2 O9 Zn1 -3.98(4) . .
C7 Zn2 O9 Zn1 132.37(7) . 2_666
O12 Zn2 O9 Zn1 -0.50(4) 2_666 2_666
O2 Zn2 O9 Zn1 -99.87(5) . 2_666
O1 Zn1 O9 C9 -146.74(11) . .
O11 Zn1 O9 C9 -31.60(10) . .
O12 Zn1 O9 C9 48.34(10) . .
O2 Zn1 O9 C9 -129.90(10) . .
O9 Zn1 O9 C9 126.28(10) 2_666 .
Zn1 Zn1 O9 C9 126.28(10) 2_666 .
O1 Zn1 O9 Zn2 -12.96(12) . .
O11 Zn1 O9 Zn2 102.18(5) . .
O12 Zn1 O9 Zn2 -177.88(4) . .
O2 Zn1 O9 Zn2 3.88(4) . .
O9 Zn1 O9 Zn2 -99.94(5) 2_666 .
Zn1 Zn1 O9 Zn2 -99.94(5) 2_666 .
O1 Zn1 O9 Zn1 86.98(10) . 2_666
O11 Zn1 O9 Zn1 -157.88(4) . 2_666
O12 Zn1 O9 Zn1 -77.94(4) . 2_666
O2 Zn1 O9 Zn1 103.82(4) . 2_666
O9 Zn1 O9 Zn1 0.0 2_666 2_666
Zn2 O9 C9 C10 35.98(16) . .
Zn1 O9 C9 C10 159.05(10) . .
Zn1 O9 C9 C10 -89.13(14) 2_666 .
O9 Zn1 O11 C11 110.47(10) . .
O1 Zn1 O11 C11 -90.79(11) . .
O12 Zn1 O11 C11 12.78(10) . .
O2 Zn1 O11 C11 -168.76(10) . .
O9 Zn1 O11 C11 1.93(17) 2_666 .
Zn1 Zn1 O11 C11 86.05(11) 2_666 .
Zn1 O11 C11 C15 168.35(12) . .
Zn1 O11 C11 C12 -11.70(17) . .
O11 C11 C12 O12 1.0(2) . .
C15 C11 C12 O12 -179.00(13) . .
O11 C11 C12 C13 -179.74(16) . .
C15 C11 C12 C13 0.2(2) . .
C13 C12 O12 Zn2 -18.9(3) . 2_666
C11 C12 O12 Zn2 160.31(12) . 2_666
C13 C12 O12 Zn1 -169.02(15) . .
C11 C12 O12 Zn1 10.14(16) . .
O9 Zn1 O12 C12 -112.66(10) . .
O1 Zn1 O12 C12 73.47(11) . .
O11 Zn1 O12 C12 -12.12(10) . .
O9 Zn1 O12 C12 163.52(11) 2_666 .
Zn1 Zn1 O12 C12 -155.11(10) 2_666 .
O9 Zn1 O12 Zn2 84.31(5) . 2_666
O1 Zn1 O12 Zn2 -89.56(5) . 2_666
O11 Zn1 O12 Zn2 -175.15(6) . 2_666
O9 Zn1 O12 Zn2 0.49(4) 2_666 2_666
Zn1 Zn1 O12 Zn2 41.86(4) 2_666 2_666
O12 C12 C13 O13 -179.46(16) . .
C11 C12 C13 O13 1.4(3) . .
O12 C12 C13 C16 2.1(3) . .
C11 C12 C13 C16 -177.0(2) . .
C12 C13 O13 C14 -1.5(3) . .
C16 C13 O13 C14 177.15(18) . .
C13 O13 C14 C15 -0.2(3) . .
O13 C14 C15 C11 1.8(3) . .
O11 C11 C15 C14 178.17(16) . .
C12 C11 C15 C14 -1.8(2) . .
C23 C18 C19 C20 0.0 . .
C17 C18 C19 C20 -178.8(6) . .
C18 C19 C20 C21 0.0 . .
C19 C20 C21 C22 0.0 . .
C20 C21 C22 C23 0.0 . .
C21 C22 C23 C18 0.0 . .
C19 C18 C23 C22 0.0 . .
C17 C18 C23 C22 178.8(6) . .
