#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:11:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179956 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/51/7025177.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_7025177
loop_
_publ_author_name
'Martínez Belmonte, Marta'
'Wezenberg, Sander J.'
'Haak, Robert M.'
'Anselmo, Daniele'
'Escudero-Adán, Eduardo C'
'Benet-Buchholz, Jordi'
'Kleij, Arjan W.'
_publ_section_title
;
 Self-assembly of Zn(salphen) complexes: steric regulation, stability
 studies and crystallographic analysis revealing an unexpected dimeric
 3,3'-t-Bu-substituted Zn(salphen) complex.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4541
_journal_page_last               4550
_journal_paper_doi               10.1039/b925560e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C63 H65 N9 O12 Zn2'
_chemical_formula_weight         1270.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.874(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9018(5)
_cell_length_b                   22.1253(11)
_cell_length_c                   27.9995(14)
_cell_measurement_reflns_used    7541
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      39.60
_cell_measurement_theta_min      3.46
_cell_volume                     6060.7(5)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0308
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            70784
_diffrn_reflns_theta_full        40.04
_diffrn_reflns_theta_max         40.04
_diffrn_reflns_theta_min         2.94
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8512
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2648
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.376
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         17502
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0476
_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)+(0.0785P)²+7.3853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1435
_reflns_number_gt                14918
_reflns_number_total             17502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b925560e.txt
_cod_data_source_block           awk80b_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7025177
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.68492(12) 0.29355(6) 0.32504(5) 0.01889(19) Uani 1 1 d . . .
C2 C 0.74457(14) 0.25997(8) 0.36625(5) 0.0254(2) Uani 1 1 d . . .
C3 C 0.81463(18) 0.29236(10) 0.40513(6) 0.0332(3) Uani 1 1 d . . .
H2 H 0.8522 0.2703 0.4331 0.040 Uiso 1 1 calc R . .
C4 C 0.83345(17) 0.35458(10) 0.40583(6) 0.0335(3) Uani 1 1 d . . .
C5 C 0.78628(15) 0.38571(8) 0.36341(6) 0.0279(3) Uani 1 1 d . . .
H5 H 0.8020 0.4280 0.3619 0.034 Uiso 1 1 calc R . .
C6 C 0.71570(12) 0.35591(6) 0.32270(5) 0.0199(2) Uani 1 1 d . . .
C7 C 0.73790(18) 0.19074(9) 0.36774(6) 0.0321(3) Uani 1 1 d . . .
C8 C 0.7959(3) 0.16417(10) 0.32427(8) 0.0455(5) Uani 1 1 d . . .
H8A H 0.7844 0.1202 0.3238 0.068 Uiso 1 1 calc R . .
H8B H 0.8932 0.1741 0.3271 0.068 Uiso 1 1 calc R . .
H8C H 0.7468 0.1814 0.2943 0.068 Uiso 1 1 calc R . .
C9 C 0.5918(2) 0.16879(9) 0.36668(8) 0.0386(4) Uani 1 1 d . . .
H9A H 0.5911 0.1246 0.3693 0.058 Uiso 1 1 calc R . .
H9B H 0.5361 0.1811 0.3362 0.058 Uiso 1 1 calc R . .
H9C H 0.5539 0.1865 0.3939 0.058 Uiso 1 1 calc R . .
C10 C 0.8242(2) 0.16394(13) 0.41322(8) 0.0466(5) Uani 1 1 d . . .
H10A H 0.7848 0.1758 0.4418 0.070 Uiso 1 1 calc R . .
H10B H 0.9180 0.1792 0.4161 0.070 Uiso 1 1 calc R . .
H10C H 0.8247 0.1198 0.4107 0.070 Uiso 1 1 calc R . .
C11 C 0.9024(2) 0.38868(13) 0.45074(8) 0.0463(5) Uani 1 1 d . . .
C12 C 1.0187(3) 0.42646(17) 0.43841(12) 0.0680(8) Uani 1 1 d U . .
H12A H 0.9823 0.4594 0.4167 0.102 Uiso 1 1 calc R . .
H12B H 1.0794 0.4012 0.4224 0.102 Uiso 1 1 calc R . .
H12C H 1.0701 0.4434 0.4681 0.102 Uiso 1 1 calc R . .
C13 C 0.7947(3) 0.42550(14) 0.47074(11) 0.0569(6) Uani 1 1 d U . .
H13A H 0.8355 0.4447 0.5011 0.085 Uiso 1 1 calc R . .
H13B H 0.7199 0.3989 0.4767 0.085 Uiso 1 1 calc R . .
H13C H 0.7589 0.4567 0.4473 0.085 Uiso 1 1 calc R . .
C14 C 0.9647(3) 0.34442(14) 0.49128(10) 0.0560(6) Uani 1 1 d U . .
H14A H 1.0335 0.3190 0.4795 0.084 Uiso 1 1 calc R . .
H14B H 0.8922 0.3188 0.5005 0.084 Uiso 1 1 calc R . .
H14C H 1.0076 0.3675 0.5194 0.084 Uiso 1 1 calc R . .
C15 C 0.68748(12) 0.39249(6) 0.27943(5) 0.01810(18) Uani 1 1 d . . .
H15 H 0.7042 0.4347 0.2827 0.022 Uiso 1 1 calc R . .
C16 C 0.61695(11) 0.41143(5) 0.19642(4) 0.01508(16) Uani 1 1 d . . .
C17 C 0.59392(13) 0.47355(5) 0.19871(5) 0.0197(2) Uani 1 1 d . . .
H17 H 0.5989 0.4931 0.2291 0.024 Uiso 1 1 calc R . .
C18 C 0.56366(15) 0.50662(5) 0.15622(6) 0.0236(2) Uani 1 1 d . . .
H18 H 0.5477 0.5489 0.1579 0.028 Uiso 1 1 calc R . .
C19 C 0.55642(16) 0.47882(6) 0.11125(6) 0.0236(2) Uani 1 1 d . . .
H19 H 0.5351 0.5020 0.0825 0.028 Uiso 1 1 calc R . .
C20 C 0.58042(14) 0.41705(5) 0.10854(5) 0.0201(2) Uani 1 1 d . . .
H20 H 0.5759 0.3978 0.0780 0.024 Uiso 1 1 calc R . .
C21 C 0.61122(12) 0.38359(5) 0.15101(4) 0.01538(16) Uani 1 1 d . . .
C22 C 0.69675(13) 0.29604(5) 0.11970(4) 0.01758(18) Uani 1 1 d . . .
H22 H 0.7179 0.3210 0.0942 0.021 Uiso 1 1 calc R . .
C23 C 0.73346(12) 0.23264(5) 0.11900(4) 0.01573(17) Uani 1 1 d . . .
C24 C 0.73505(12) 0.19302(5) 0.16000(4) 0.01605(17) Uani 1 1 d . . .
C25 C 0.77423(15) 0.13193(5) 0.15157(5) 0.0204(2) Uani 1 1 d . . .
C26 C 0.80173(14) 0.11045(5) 0.10803(5) 0.0201(2) Uani 1 1 d . . .
H26 H 0.8194 0.0688 0.1037 0.024 Uiso 1 1 calc R . .
C27 C 0.80293(13) 0.15139(5) 0.07057(4) 0.01784(18) Uani 1 1 d . . .
C28 C 0.77065(14) 0.21165(5) 0.07600(5) 0.01853(19) Uani 1 1 d . . .
H28 H 0.7739 0.2390 0.0501 0.022 Uiso 1 1 calc R . .
N1 N 0.64141(10) 0.37236(4) 0.23668(4) 0.01502(15) Uani 1 1 d . . .
N2 N 0.63756(11) 0.32072(4) 0.15242(4) 0.01527(15) Uani 1 1 d . . .
N3 N 0.78390(19) 0.08806(6) 0.19107(6) 0.0346(3) Uani 1 1 d . . .
N4 N 0.84155(14) 0.13079(5) 0.02566(4) 0.0232(2) Uani 1 1 d . . .
O1 O 0.60088(9) 0.26655(4) 0.28893(3) 0.01598(13) Uani 1 1 d . . .
O2 O 0.70303(11) 0.20864(4) 0.20056(4) 0.01952(16) Uani 1 1 d . . .
O3 O 0.8444(2) 0.10269(8) 0.23035(6) 0.0562(5) Uani 1 1 d U . .
O4 O 0.7367(2) 0.03782(6) 0.18160(7) 0.0519(5) Uani 1 1 d . . .
O5 O 0.86823(16) 0.07711(5) 0.02136(5) 0.0331(3) Uani 1 1 d . . .
O6 O 0.84676(17) 0.16845(6) -0.00644(4) 0.0352(3) Uani 1 1 d . . .
Zn1 Zn 0.603812(14) 0.281686(6) 0.217438(5) 0.01394(4) Uani 1 1 d . . .
N1P N 0.9603(3) 0.39423(15) 0.20639(11) 0.0480(9) Uani 0.50 1 d PGU A -1
C2P C 0.9691(4) 0.45550(14) 0.21742(11) 0.0493(10) Uani 0.50 1 d PGU A -1
C3P C 1.0139(5) 0.47412(15) 0.26462(12) 0.0658(10) Uani 0.50 1 d PGU A -1
H3PA H 1.0199 0.5160 0.2722 0.079 Uiso 0.50 1 calc PR A -1
C4P C 1.0499(5) 0.4315(2) 0.30080(11) 0.0658(10) Uani 0.50 1 d PGU A -1
H4PA H 1.0805 0.4442 0.3331 0.079 Uiso 0.50 1 calc PR A -1
C5P C 1.0411(5) 0.37020(18) 0.28977(13) 0.0658(10) Uani 0.50 1 d PGU A -1
H5PA H 1.0657 0.3410 0.3145 0.079 Uiso 0.50 1 calc PR A -1
C6P C 0.9963(6) 0.35158(14) 0.24257(14) 0.0571(12) Uani 0.50 1 d PGU A -1
C7P C 0.9281(8) 0.4942(4) 0.1788(3) 0.0687(16) Uani 0.50 1 d PU A -1
H7PA H 0.9005 0.4704 0.1494 0.103 Uiso 0.50 1 calc PR A -1
H7PB H 1.0042 0.5208 0.1742 0.103 Uiso 0.50 1 calc PR A -1
H7PC H 0.8508 0.5187 0.1855 0.103 Uiso 0.50 1 calc PR A -1
C8P C 0.9933(10) 0.2862(3) 0.2304(3) 0.077(2) Uani 0.50 1 d PU A -1
H8PA H 1.0212 0.2626 0.2599 0.115 Uiso 0.50 1 calc PR A -1
H8PB H 1.0562 0.2782 0.2074 0.115 Uiso 0.50 1 calc PR A -1
H8PC H 0.9003 0.2746 0.2160 0.115 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'
N N 0.0061 0.0033 '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
O1 C1 C6 120.65(11) . .
O1 C1 C2 120.60(13) . .
C6 C1 C2 118.75(13) . .
C3 C2 C1 117.33(16) . .
C3 C2 C7 120.66(14) . .
C1 C2 C7 121.98(14) . .
C4 C3 C2 124.72(16) . .
C3 C4 C5 116.90(15) . .
C3 C4 C11 122.76(18) . .
C5 C4 C11 120.3(2) . .
C4 C5 C6 121.32(16) . .
C5 C6 C1 120.18(14) . .
C5 C6 C15 115.08(13) . .
C1 C6 C15 124.62(11) . .
C9 C7 C2 111.27(13) . .
C9 C7 C10 107.34(16) . .
C2 C7 C10 112.75(18) . .
C9 C7 C8 109.4(2) . .
C2 C7 C8 109.67(15) . .
C10 C7 C8 106.26(16) . .
C12 C11 C13 113.1(3) . .
C12 C11 C4 110.2(2) . .
C13 C11 C4 108.50(18) . .
C12 C11 C14 106.6(2) . .
C13 C11 C14 106.9(2) . .
C4 C11 C14 111.4(2) . .
N1 C15 C6 125.26(11) . .
C17 C16 C21 119.25(11) . .
C17 C16 N1 125.11(11) . .
C21 C16 N1 115.60(9) . .
C18 C17 C16 119.61(12) . .
C17 C18 C19 121.04(11) . .
C20 C19 C18 119.83(13) . .
C19 C20 C21 119.47(12) . .
C20 C21 C16 120.78(10) . .
C20 C21 N2 124.12(10) . .
C16 C21 N2 115.09(10) . .
N2 C22 C23 124.36(11) . .
C28 C23 C24 120.91(10) . .
C28 C23 C22 115.78(10) . .
C24 C23 C22 123.30(10) . .
O2 C24 C25 120.85(10) . .
O2 C24 C23 124.85(10) . .
C25 C24 C23 114.29(10) . .
C26 C25 C24 124.53(11) . .
C26 C25 N3 116.24(11) . .
C24 C25 N3 119.22(11) . .
C25 C26 C27 118.10(11) . .
C28 C27 C26 121.10(11) . .
C28 C27 N4 119.75(11) . .
C26 C27 N4 119.13(10) . .
C27 C28 C23 120.83(11) . .
C15 N1 C16 121.41(10) . .
C15 N1 Zn1 126.24(9) . .
C16 N1 Zn1 112.28(7) . .
C22 N2 C21 120.08(10) . .
C22 N2 Zn1 126.77(8) . .
C21 N2 Zn1 112.17(7) . .
O3 N3 O4 124.06(16) . .
O3 N3 C25 118.29(16) . .
O4 N3 C25 117.53(17) . .
O5 N4 O6 123.30(12) . .
O5 N4 C27 118.77(12) . .
O6 N4 C27 117.92(11) . .
C1 O1 Zn1 124.41(8) . .
C1 O1 Zn1 119.00(7) . 2_655
Zn1 O1 Zn1 92.98(4) . 2_655
C24 O2 Zn1 129.32(8) . .
O2 Zn1 O1 100.54(4) . .
O2 Zn1 O1 111.58(4) . 2_655
O1 Zn1 O1 83.91(4) . 2_655
O2 Zn1 N2 88.71(4) . .
O1 Zn1 N2 162.67(4) . .
O1 Zn1 N2 106.43(4) 2_655 .
O2 Zn1 N1 139.95(4) . .
O1 Zn1 N1 86.19(4) . .
O1 Zn1 N1 108.37(4) 2_655 .
N2 Zn1 N1 77.42(4) . .
O2 Zn1 Zn1 124.36(3) . 2_655
O1 Zn1 Zn1 43.52(2) . 2_655
O1 Zn1 Zn1 43.51(3) 2_655 2_655
N2 Zn1 Zn1 139.40(3) . 2_655
N1 Zn1 Zn1 87.38(3) . 2_655
C2P N1P C6P 120.0 . .
C3P C2P N1P 120.0 . .
C3P C2P C7P 124.7(4) . .
N1P C2P C7P 115.3(4) . .
C2P C3P C4P 120.0 . .
C5P C4P C3P 120.0 . .
C4P C5P C6P 120.0 . .
C5P C6P N1P 120.0 . .
C5P C6P C8P 119.9(4) . .
N1P C6P C8P 120.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.3461(16) .
C1 C6 1.417(2) .
C1 C2 1.4218(19) .
C2 C3 1.395(2) .
C2 C7 1.534(3) .
C3 C4 1.389(3) .
C4 C5 1.390(3) .
C4 C11 1.534(2) .
C5 C6 1.4062(19) .
C6 C15 1.4479(19) .
C7 C9 1.522(3) .
C7 C10 1.538(2) .
C7 C8 1.540(3) .
C11 C12 1.505(4) .
C11 C13 1.517(4) .
C11 C14 1.553(4) .
C15 N1 1.2925(16) .
C16 C17 1.3964(16) .
C16 C21 1.4059(16) .
C16 N1 1.4114(16) .
C17 C18 1.390(2) .
C18 C19 1.393(2) .
C19 C20 1.3913(17) .
C20 C21 1.3940(17) .
C21 N2 1.4148(14) .
C22 N2 1.2832(15) .
C22 C23 1.4500(15) .
C23 C28 1.3918(17) .
C23 C24 1.4425(16) .
C24 O2 1.2730(15) .
C24 C25 1.4359(16) .
C25 C26 1.3743(18) .
C25 N3 1.4634(18) .
C26 C27 1.3872(18) .
C27 C28 1.3849(16) .
C27 N4 1.4435(17) .
N1 Zn1 2.0957(10) .
N2 Zn1 2.0880(10) .
N3 O3 1.212(3) .
N3 O4 1.219(2) .
N4 O5 1.2266(15) .
N4 O6 1.2326(17) .
O1 Zn1 2.0342(9) .
O1 Zn1 2.0348(9) 2_655
O2 Zn1 1.9860(9) .
Zn1 O1 2.0348(9) 2_655
Zn1 Zn1 2.9510(3) 2_655
N1P C2P 1.3900 .
N1P C6P 1.3900 .
C2P C3P 1.3900 .
C2P C7P 1.391(8) .
C3P C4P 1.3900 .
C4P C5P 1.3900 .
C5P C6P 1.3900 .
C6P C8P 1.485(8) .
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
O1 C1 C2 C3 -171.15(13) . .
C6 C1 C2 C3 8.9(2) . .
O1 C1 C2 C7 11.2(2) . .
C6 C1 C2 C7 -168.78(13) . .
C1 C2 C3 C4 -2.0(3) . .
C7 C2 C3 C4 175.75(16) . .
C2 C3 C4 C5 -4.4(3) . .
C2 C3 C4 C11 175.53(18) . .
C3 C4 C5 C6 3.6(2) . .
C11 C4 C5 C6 -176.26(16) . .
C4 C5 C6 C1 3.3(2) . .
C4 C5 C6 C15 -172.81(14) . .
O1 C1 C6 C5 170.35(12) . .
C2 C1 C6 C5 -9.71(19) . .
O1 C1 C6 C15 -13.92(18) . .
C2 C1 C6 C15 166.02(12) . .
C3 C2 C7 C9 115.95(18) . .
C1 C2 C7 C9 -66.44(19) . .
C3 C2 C7 C10 -4.7(2) . .
C1 C2 C7 C10 172.90(15) . .
C3 C2 C7 C8 -122.90(18) . .
C1 C2 C7 C8 54.7(2) . .
C3 C4 C11 C12 126.2(3) . .
C5 C4 C11 C12 -53.9(3) . .
C3 C4 C11 C13 -109.4(3) . .
C5 C4 C11 C13 70.4(3) . .
C3 C4 C11 C14 8.0(3) . .
C5 C4 C11 C14 -172.1(2) . .
C5 C6 C15 N1 169.85(12) . .
C1 C6 C15 N1 -6.08(19) . .
C21 C16 C17 C18 1.01(18) . .
N1 C16 C17 C18 -176.51(12) . .
C16 C17 C18 C19 -0.3(2) . .
C17 C18 C19 C20 -0.3(2) . .
C18 C19 C20 C21 0.1(2) . .
C19 C20 C21 C16 0.63(19) . .
C19 C20 C21 N2 -179.89(12) . .
C17 C16 C21 C20 -1.21(17) . .
N1 C16 C21 C20 176.55(11) . .
C17 C16 C21 N2 179.27(10) . .
N1 C16 C21 N2 -2.98(14) . .
N2 C22 C23 C28 167.23(13) . .
N2 C22 C23 C24 -14.0(2) . .
C28 C23 C24 O2 179.77(13) . .
C22 C23 C24 O2 1.1(2) . .
C28 C23 C24 C25 -1.38(18) . .
C22 C23 C24 C25 179.92(12) . .
O2 C24 C25 C26 175.64(14) . .
C23 C24 C25 C26 -3.3(2) . .
O2 C24 C25 N3 -3.1(2) . .
C23 C24 C25 N3 178.00(14) . .
C24 C25 C26 C27 5.6(2) . .
N3 C25 C26 C27 -175.66(14) . .
C25 C26 C27 C28 -3.2(2) . .
C25 C26 C27 N4 175.40(13) . .
C26 C27 C28 C23 -1.2(2) . .
N4 C27 C28 C23 -179.83(13) . .
C24 C23 C28 C27 3.6(2) . .
C22 C23 C28 C27 -177.64(12) . .
C6 C15 N1 C16 -179.92(11) . .
C6 C15 N1 Zn1 -3.13(17) . .
C17 C16 N1 C15 -22.58(17) . .
C21 C16 N1 C15 159.81(11) . .
C17 C16 N1 Zn1 160.21(10) . .
C21 C16 N1 Zn1 -17.40(12) . .
C23 C22 N2 C21 177.28(12) . .
C23 C22 N2 Zn1 9.56(19) . .
C20 C21 N2 C22 33.08(18) . .
C16 C21 N2 C22 -147.42(12) . .
C20 C21 N2 Zn1 -157.52(10) . .
C16 C21 N2 Zn1 21.98(12) . .
C26 C25 N3 O3 134.10(18) . .
C24 C25 N3 O3 -47.1(2) . .
C26 C25 N3 O4 -42.0(2) . .
C24 C25 N3 O4 136.80(17) . .
C28 C27 N4 O5 -179.17(14) . .
C26 C27 N4 O5 2.2(2) . .
C28 C27 N4 O6 1.3(2) . .
C26 C27 N4 O6 -177.35(15) . .
C6 C1 O1 Zn1 41.71(15) . .
C2 C1 O1 Zn1 -138.23(10) . .
C6 C1 O1 Zn1 -75.14(13) . 2_655
C2 C1 O1 Zn1 104.92(12) . 2_655
C25 C24 O2 Zn1 -163.39(10) . .
C23 C24 O2 Zn1 15.39(19) . .
C24 O2 Zn1 O1 179.62(11) . .
C24 O2 Zn1 O1 92.05(12) . 2_655
C24 O2 Zn1 N2 -15.13(12) . .
C24 O2 Zn1 N1 -83.70(13) . .
C24 O2 Zn1 Zn1 139.65(10) . 2_655
C1 O1 Zn1 O2 101.76(9) . .
Zn1 O1 Zn1 O2 -129.63(4) 2_655 .
C1 O1 Zn1 O1 -147.36(8) . 2_655
Zn1 O1 Zn1 O1 -18.75(5) 2_655 2_655
C1 O1 Zn1 N2 -19.54(18) . .
Zn1 O1 Zn1 N2 109.07(12) 2_655 .
C1 O1 Zn1 N1 -38.41(9) . .
Zn1 O1 Zn1 N1 90.20(4) 2_655 .
C1 O1 Zn1 Zn1 -128.61(10) . 2_655
C22 N2 Zn1 O2 2.64(11) . .
C21 N2 Zn1 O2 -165.89(8) . .
C22 N2 Zn1 O1 125.47(13) . .
C21 N2 Zn1 O1 -43.06(17) . .
C22 N2 Zn1 O1 -109.50(11) . 2_655
C21 N2 Zn1 O1 81.96(8) . 2_655
C22 N2 Zn1 N1 144.79(12) . .
C21 N2 Zn1 N1 -23.75(8) . .
C22 N2 Zn1 Zn1 -144.63(9) . 2_655
C21 N2 Zn1 Zn1 46.84(10) . 2_655
C15 N1 Zn1 O2 -82.39(11) . .
C16 N1 Zn1 O2 94.65(9) . .
C15 N1 Zn1 O1 19.48(10) . .
C16 N1 Zn1 O1 -163.48(7) . .
C15 N1 Zn1 O1 101.77(10) . 2_655
C16 N1 Zn1 O1 -81.19(8) . 2_655
C15 N1 Zn1 N2 -154.86(10) . .
C16 N1 Zn1 N2 22.19(7) . .
C15 N1 Zn1 Zn1 63.05(9) . 2_655
C16 N1 Zn1 Zn1 -119.90(7) . 2_655
C6P N1P C2P C3P 0.0 . .
C6P N1P C2P C7P -178.8(4) . .
N1P C2P C3P C4P 0.0 . .
C7P C2P C3P C4P 178.7(5) . .
C2P C3P C4P C5P 0.0 . .
C3P C4P C5P C6P 0.0 . .
C4P C5P C6P N1P 0.0 . .
C4P C5P C6P C8P 177.1(6) . .
C2P N1P C6P C5P 0.0 . .
C2P N1P C6P C8P -177.1(6) . .
