#------------------------------------------------------------------------------
#$Date: 2019-09-07 03:12:57 +0300 (Sat, 07 Sep 2019) $
#$Revision: 218052 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/22/1552290.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_1552290
loop_
_publ_author_name
'Hazra, Arpan'
'van Heerden, Dewald'
'Sanyal, Somananda'
'Lama, Prem'
'Esterhuysen, Catharine'
'Barbour, Len'
_publ_section_title
;
 CO2-induced single-crystal to single-crystal transformations of an
 interpenetrated flexible MOF explained by in situ crystallographic
 analysis and molecular modeling
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C9SC04043A
_journal_year                    2019
_chemical_formula_sum            'C37 H24 N2 O10 Zn2'
_chemical_formula_weight         787.32
_chemical_properties_physical    Heat-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   NOREF
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-08-01 deposited with the CCDC.    2019-09-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.332(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.899(3)
_cell_length_b                   16.264(5)
_cell_length_c                   10.897(3)
_cell_measurement_reflns_used    1960
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.33
_cell_measurement_theta_min      2.30
_cell_volume                     1871.5(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT  A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_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  0.0623
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            16299
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.454
_diffrn_reflns_theta_min         2.300
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  0.9835
_exptl_absorpt_correction_T_min  0.9587
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'translucent colourless'
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.012
_exptl_crystal_size_mid          0.007
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.782
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         3589
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0682P)²+2.1383P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1331
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2731
_reflns_number_total             3589
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9sc04043a2.cif
_cod_data_source_block           1np
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'EMPIRICAL' changed to
'empirical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               1552290
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.984
_shelx_estimated_absorpt_t_max   0.993
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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_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 0.30859(8) 0.34134(3) 0.27607(8) 0.03061(18) Uani 1 1 d . . . . .
O1 O 0.4956(5) 0.3178(3) 0.2937(7) 0.0620(18) Uani 1 1 d . . . . .
O2 O 1.1223(6) 0.3171(3) 0.2562(7) 0.057(2) Uani 1 1 d . . . . .
O3 O 0.3264(6) 0.3181(4) 0.4629(5) 0.080(2) Uani 1 1 d . . . . .
O4 O 0.2836(7) 0.3174(3) 1.0883(6) 0.064(2) Uani 1 1 d . . . . .
C1 C 0.5450(10) 0.250000 0.2839(10) 0.035(2) Uani 1 2 d S T P A .
C2 C 0.6761(9) 0.250000 0.2645(10) 0.038(2) Uani 1 2 d S T P . .
C3 C 0.7577(17) 0.1929(11) 0.3215(19) 0.049(5) Uani 0.5 1 d . . P A -1
H3 H 0.730958 0.152048 0.368763 0.059 Uiso 0.5 1 calc R U P A -1
C4 C 0.8812(16) 0.1933(9) 0.3117(17) 0.053(4) Uani 0.5 1 d . . P A -1
H4 H 0.935344 0.152316 0.353207 0.063 Uiso 0.5 1 calc R U P A -1
C5 C 0.9277(10) 0.250000 0.2451(11) 0.042(3) Uani 1 2 d S T P . .
C6 C 0.8420(14) 0.3110(9) 0.1765(15) 0.044(4) Uani 0.5 1 d . . P A -1
C7 C 0.7162(11) 0.3113(16) 0.1892(12) 0.036(5) Uani 0.5 1 d . . P A -1
C8 C 0.6213(16) 0.3681(13) 0.107(2) 0.081(6) Uani 0.5 1 d . . P A -1
H8 H 0.535787 0.364688 0.105327 0.097 Uiso 0.5 1 calc R U P A -1
C9 C 0.6608(16) 0.4217(13) 0.0373(19) 0.095(8) Uani 0.5 1 d . . P A -1
H9 H 0.603703 0.460999 -0.004883 0.114 Uiso 0.5 1 calc R U P A -1
C10 C 0.7830(19) 0.4238(13) 0.023(2) 0.098(8) Uani 0.5 1 d . . P A -1
H10 H 0.803542 0.460697 -0.034441 0.118 Uiso 0.5 1 calc R U P A -1
C11 C 0.8773(15) 0.3709(11) 0.0928(17) 0.066(5) Uani 0.5 1 d . . P A -1
H11 H 0.960339 0.374362 0.085492 0.080 Uiso 0.5 1 calc R U P A -1
C12 C 1.0689(9) 0.250000 0.2524(9) 0.038(2) Uani 1 2 d S T P A .
C13 C 0.3176(10) 0.250000 0.5126(10) 0.046(3) Uani 1 2 d S T P B .
C14 C 0.2964(10) 0.250000 0.6421(9) 0.035(2) Uani 1 2 d S T P . .
C15 C 0.335(2) 0.1817(11) 0.724(2) 0.052(5) Uani 0.5 1 d . . P B -1
H15 H 0.366927 0.134481 0.695503 0.062 Uiso 0.5 1 calc R U P B -1
C16 C 0.323(2) 0.1868(12) 0.8497(19) 0.053(5) Uani 0.5 1 d . . P B -1
H16 H 0.349977 0.142003 0.902609 0.064 Uiso 0.5 1 calc R U P B -1
C17 C 0.2774(9) 0.250000 0.8966(9) 0.035(2) Uani 1 2 d S T P . .
C18 C 0.237(2) 0.3219(9) 0.8133(16) 0.037(4) Uani 0.5 1 d . . P B -1
C19 C 0.250(2) 0.3183(13) 0.689(2) 0.045(5) Uani 0.5 1 d . U P B -1
C20 C 0.1925(16) 0.3870(9) 0.6066(16) 0.056(4) Uani 0.5 1 d . . P B -1
H20 H 0.188143 0.382219 0.520556 0.067 Uiso 0.5 1 calc R U P B -1
C21 C 0.1459(15) 0.4554(9) 0.6452(14) 0.053(4) Uani 0.5 1 d . . P B -1
H21 H 0.122303 0.500148 0.591501 0.064 Uiso 0.5 1 calc R U P B -1
C22 C 0.1346(16) 0.4567(9) 0.7649(18) 0.070(5) Uani 0.5 1 d . . P B -1
H22 H 0.095516 0.502128 0.790631 0.083 Uiso 0.5 1 calc R U P B -1
C23 C 0.1776(14) 0.3947(9) 0.8537(13) 0.045(4) Uani 0.5 1 d . . P B -1
H23 H 0.168912 0.399387 0.936177 0.054 Uiso 0.5 1 calc R U P B -1
C24 C 0.2777(10) 0.250000 1.0336(10) 0.039(2) Uani 1 2 d S T P B .
C25 C 0.3299(16) 0.5154(6) 0.3820(8) 0.063(5) Uani 0.5 1 d G U P C -1
H25 H 0.329049 0.488414 0.457092 0.075 Uiso 0.5 1 calc R U P C -1
C26 C 0.3383(16) 0.6006(6) 0.3799(9) 0.074(9) Uani 0.5 1 d G U P C -1
H26 H 0.343056 0.630693 0.453540 0.088 Uiso 0.5 1 calc R U P C -1
C27 C 0.3395(14) 0.6409(4) 0.2678(12) 0.052(5) Uani 0.5 1 d G U P C -1
C28 C 0.3324(13) 0.5960(5) 0.1577(10) 0.071(6) Uani 0.5 1 d G U P C -1
H28 H 0.333246 0.622940 0.082665 0.085 Uiso 0.5 1 calc R U P C -1
C29 C 0.3240(13) 0.5107(5) 0.1598(9) 0.071(6) Uani 0.5 1 d G U P C -1
H29 H 0.319240 0.480662 0.086215 0.085 Uiso 0.5 1 calc R U P C -1
N1 N 0.3228(14) 0.4704(4) 0.2720(10) 0.030(5) Uani 0.5 1 d G . P C -1
C30 C 0.3371(16) 0.7336(6) 0.2482(16) 0.065(3) Uani 0.5 1 d . . P C -1
H30A H 0.265619 0.748124 0.178962 0.078 Uiso 0.5 1 calc R U P C -1
H30B H 0.413891 0.750631 0.225353 0.078 Uiso 0.5 1 calc R U P C -1
C32 C 0.4144(15) 0.9993(8) 0.3242(19) 0.056(4) Uani 0.5 1 d . . P C -1
H32 H 0.487927 1.028688 0.325448 0.067 Uiso 0.5 1 calc R U P C -1
C33 C 0.4227(19) 0.9146(9) 0.3462(19) 0.064(5) Uani 0.5 1 d . U P C -1
H33 H 0.500871 0.888167 0.364850 0.077 Uiso 0.5 1 calc R U P C -1
C35 C 0.2066(17) 0.9143(8) 0.3203(17) 0.062(5) Uani 0.5 1 d . . P C -1
H35 H 0.131696 0.887191 0.321209 0.074 Uiso 0.5 1 calc R U P C -1
C36 C 0.2098(15) 0.9966(9) 0.2993(16) 0.051(5) Uani 0.5 1 d . . P C -1
H36 H 0.132888 1.024469 0.281100 0.061 Uiso 0.5 1 calc R U P C -1
C31 C 0.3268(16) 0.7790(6) 0.3683(16) 0.065(3) Uani 0.5 1 d . . P C -1
H31A H 0.399971 0.766821 0.437083 0.078 Uiso 0.5 1 calc R U P C -1
H31B H 0.251413 0.761252 0.393118 0.078 Uiso 0.5 1 calc R U P C -1
C34 C 0.320(2) 0.8736(12) 0.340(2) 0.056(5) Uani 0.5 1 d . . P C -1
N2 N 0.3072(19) 1.0383(8) 0.3021(17) 0.035(4) Uani 0.5 1 d . U P C -1
O5 O 1.007679 0.066460 0.008420 0.175(8) Uani 0.5 1 d . U P D -1
O6 O 0.979109 0.196140 -0.076779 0.189(9) Uani 0.5 1 d . U P D -1
C37 C 0.985459 0.129890 -0.036039 0.138(10) Uani 0.5 1 d . U P D -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
O2 Zn1 O3 85.1(2) 1_455 .
O2 Zn1 O4 88.5(2) 1_455 1_554
O3 Zn1 O4 158.2(2) . 1_554
O2 Zn1 O1 157.94(19) 1_455 .
O3 Zn1 O1 91.5(2) . .
O4 Zn1 O1 86.6(2) 1_554 .
O2 Zn1 N1 105.6(4) 1_455 .
O3 Zn1 N1 102.5(3) . .
O4 Zn1 N1 99.3(3) 1_554 .
O1 Zn1 N1 96.5(4) . .
O2 Zn1 Zn1 78.79(14) 1_455 4_565
O3 Zn1 Zn1 79.3(2) . 4_565
O4 Zn1 Zn1 78.98(14) 1_554 4_565
O1 Zn1 Zn1 79.15(14) . 4_565
N1 Zn1 Zn1 175.3(4) . 4_565
C1 O1 Zn1 127.1(6) . .
C12 O2 Zn1 128.9(6) . 1_655
C13 O3 Zn1 127.0(6) . .
C24 O4 Zn1 129.0(6) . 1_556
O1 C1 O1 124.9(9) . 4_565
O1 C1 C2 117.5(5) . .
O1 C1 C2 117.5(5) 4_565 .
C3 C2 C7 119.5(12) . .
C3 C2 C1 119.1(10) . .
C7 C2 C1 121.4(8) . .
C2 C3 C4 121.0(15) . .
C2 C3 H3 119.5 . .
C4 C3 H3 119.5 . .
C5 C4 C3 123.4(14) . .
C5 C4 H4 118.3 . .
C3 C4 H4 118.3 . .
C4 C5 C6 118.0(12) . .
C4 C5 C12 118.8(10) . .
C6 C5 C12 123.0(8) . .
C7 C6 C5 118.2(14) . .
C7 C6 C11 118.4(15) . .
C5 C6 C11 123.4(13) . .
C6 C7 C2 119.8(15) . .
C6 C7 C8 118.9(15) . .
C2 C7 C8 120.6(11) . .
C9 C8 C7 118.8(15) . .
C9 C8 H8 120.6 . .
C7 C8 H8 120.6 . .
C8 C9 C10 123.6(17) . .
C8 C9 H9 118.2 . .
C10 C9 H9 118.2 . .
C9 C10 C11 121.0(15) . .
C9 C10 H10 119.5 . .
C11 C10 H10 119.5 . .
C10 C11 C6 118.7(14) . .
C10 C11 H11 120.7 . .
C6 C11 H11 120.7 . .
O2 C12 O2 124.6(10) . 4_565
O2 C12 C5 117.7(5) . .
O2 C12 C5 117.7(5) 4_565 .
O3 C13 O3 125.3(10) 4_565 .
O3 C13 C14 117.3(5) 4_565 .
O3 C13 C14 117.3(5) . .
C19 C14 C15 118.3(11) . .
C19 C14 C13 121.0(9) . .
C15 C14 C13 120.5(9) . .
C16 C15 C14 118.9(16) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C17 C16 C15 124.3(17) . .
C17 C16 H16 117.8 . .
C15 C16 H16 117.8 . .
C16 C17 C18 118.0(12) . .
C16 C17 C24 119.1(10) . .
C18 C17 C24 122.6(8) . .
C19 C18 C23 119.0(16) . .
C19 C18 C17 118.2(15) . .
C23 C18 C17 122.8(14) . .
C14 C19 C18 122.3(16) . .
C14 C19 C20 121.6(16) . .
C18 C19 C20 115.3(18) . .
C21 C20 C19 125.2(16) . .
C21 C20 H20 117.4 . .
C19 C20 H20 117.4 . .
C20 C21 C22 117.1(14) . .
C20 C21 H21 121.5 . .
C22 C21 H21 121.5 . .
C21 C22 C23 124.5(13) . .
C21 C22 H22 117.7 . .
C23 C22 H22 117.7 . .
C22 C23 C18 118.2(13) . .
C22 C23 H23 120.9 . .
C18 C23 H23 120.9 . .
O4 C24 O4 124.0(10) 4_565 .
O4 C24 C17 117.9(5) 4_565 .
O4 C24 C17 117.9(5) . .
C26 C25 N1 120.0 . .
C26 C25 H25 120.0 . .
N1 C25 H25 120.0 . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C28 C27 C26 120.0 . .
C28 C27 C30 113.9(10) . .
C26 C27 C30 125.9(10) . .
C27 C28 C29 120.0 . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C28 C29 N1 120.0 . .
C28 C29 H29 120.0 . .
N1 C29 H29 120.0 . .
C29 N1 C25 120.0 . .
C29 N1 Zn1 120.3(5) . .
C25 N1 Zn1 119.7(5) . .
C27 C30 C31 111.1(10) . .
C27 C30 H30A 109.4 . .
C31 C30 H30A 109.4 . .
C27 C30 H30B 109.4 . .
C31 C30 H30B 109.4 . .
H30A C30 H30B 108.0 . .
N2 C32 C33 122.0(17) . .
N2 C32 H32 119.0 . .
C33 C32 H32 119.0 . .
C34 C33 C32 118.7(18) . .
C34 C33 H33 120.6 . .
C32 C33 H33 120.6 . .
C36 C35 C34 116.3(16) . .
C36 C35 H35 121.9 . .
C34 C35 H35 121.9 . .
N2 C36 C35 125.8(16) . .
N2 C36 H36 117.1 . .
C35 C36 H36 117.1 . .
C30 C31 C34 108.4(12) . .
C30 C31 H31A 110.0 . .
C34 C31 H31A 110.0 . .
C30 C31 H31B 110.0 . .
C34 C31 H31B 110.0 . .
H31A C31 H31B 108.4 . .
C33 C34 C35 119.7(19) . .
C33 C34 C31 119.7(19) . .
C35 C34 C31 120.3(18) . .
C36 N2 C32 117.3(13) . .
O5 C37 O6 171.401(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O2 2.027(6) 1_455
Zn1 O3 2.032(5) .
Zn1 O4 2.034(6) 1_554
Zn1 O1 2.035(5) .
Zn1 N1 2.107(6) .
Zn1 Zn1 2.9710(13) 4_565
O1 C1 1.243(6) .
O2 C12 1.233(6) .
O3 C13 1.247(7) .
O4 C24 1.243(7) .
C1 C2 1.495(13) .
C2 C3 1.329(18) .
C2 C7 1.43(2) .
C3 C4 1.38(2) .
C3 H3 0.9300 .
C4 C5 1.348(17) .
C4 H4 0.9300 .
C5 C6 1.440(17) .
C5 C12 1.521(13) .
C6 C7 1.411(17) .
C6 C11 1.45(2) .
C7 C8 1.51(2) .
C8 C9 1.29(2) .
C8 H8 0.9300 .
C9 C10 1.38(2) .
C9 H9 0.9300 .
C10 C11 1.41(2) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C13 C14 1.486(13) .
C14 C19 1.37(2) .
C14 C15 1.424(19) .
C15 C16 1.41(3) .
C15 H15 0.9300 .
C16 C17 1.301(19) .
C16 H16 0.9300 .
C17 C18 1.479(18) .
C17 C24 1.492(13) .
C18 C19 1.40(3) .
C18 C23 1.47(2) .
C19 C20 1.48(2) .
C20 C21 1.33(2) .
C20 H20 0.9300 .
C21 C22 1.34(2) .
C21 H21 0.9300 .
C22 C23 1.40(2) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C25 C26 1.3900 .
C25 N1 1.3900 .
C25 H25 0.9300 .
C26 C27 1.3900 .
C26 H26 0.9300 .
C27 C28 1.3900 .
C27 C30 1.522(11) .
C28 C29 1.3900 .
C28 H28 0.9300 .
C29 N1 1.3900 .
C29 H29 0.9300 .
C30 C31 1.531(19) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C32 N2 1.30(2) .
C32 C33 1.40(2) .
C32 H32 0.9300 .
C33 C34 1.29(3) .
C33 H33 0.9300 .
C35 C36 1.360(19) .
C35 C34 1.37(3) .
C35 H35 0.9300 .
C36 N2 1.25(2) .
C36 H36 0.9300 .
C31 C34 1.57(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
O5 C37 1.1400(3) .
O6 C37 1.1609(3) .
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
Zn1 O1 C1 O1 -19.5(17) . 4_565
Zn1 O1 C1 C2 163.4(7) . .
O1 C1 C2 C3 141.8(13) . .
O1 C1 C2 C3 -35.6(17) 4_565 .
O1 C1 C2 C7 -36.4(17) . .
O1 C1 C2 C7 146.2(12) 4_565 .
C7 C2 C3 C4 2(3) . .
C1 C2 C3 C4 -176.5(15) . .
C2 C3 C4 C5 0(3) . .
C3 C4 C5 C6 -3(3) . .
C3 C4 C5 C12 173.5(16) . .
C4 C5 C6 C7 4(2) . .
C12 C5 C6 C7 -172.1(13) . .
C4 C5 C6 C11 -174.5(16) . .
C12 C5 C6 C11 9(2) . .
C5 C6 C7 C2 -2(3) . .
C11 C6 C7 C2 176.1(16) . .
C5 C6 C7 C8 -172.9(17) . .
C11 C6 C7 C8 6(3) . .
C3 C2 C7 C6 0(3) . .
C1 C2 C7 C6 177.9(13) . .
C3 C2 C7 C8 169.9(17) . .
C1 C2 C7 C8 -12(2) . .
C6 C7 C8 C9 -8(3) . .
C2 C7 C8 C9 -178(2) . .
C7 C8 C9 C10 8(4) . .
C8 C9 C10 C11 -6(4) . .
C9 C10 C11 C6 3(3) . .
C7 C6 C11 C10 -3(3) . .
C5 C6 C11 C10 175.1(18) . .
Zn1 O2 C12 O2 -2.6(16) 1_655 4_565
Zn1 O2 C12 C5 176.2(7) 1_655 .
C4 C5 C12 O2 -140.8(12) . .
C6 C5 C12 O2 35.2(16) . .
C4 C5 C12 O2 38.1(15) . 4_565
C6 C5 C12 O2 -145.9(11) . 4_565
Zn1 O3 C13 O3 18.2(18) . 4_565
Zn1 O3 C13 C14 -162.5(7) . .
O3 C13 C14 C19 -161.3(16) 4_565 .
O3 C13 C14 C19 19(2) . .
O3 C13 C14 C15 24.8(18) 4_565 .
O3 C13 C14 C15 -154.6(13) . .
C19 C14 C15 C16 0(3) . .
C13 C14 C15 C16 174.6(15) . .
C14 C15 C16 C17 1(3) . .
C15 C16 C17 C18 -1(3) . .
C15 C16 C17 C24 -176.1(16) . .
C16 C17 C18 C19 -1(3) . .
C24 C17 C18 C19 174.4(17) . .
C16 C17 C18 C23 176.7(17) . .
C24 C17 C18 C23 -8(2) . .
C15 C14 C19 C18 -2(4) . .
C13 C14 C19 C18 -176.1(19) . .
C15 C14 C19 C20 -171.4(15) . .
C13 C14 C19 C20 15(3) . .
C23 C18 C19 C14 -175.2(17) . .
C17 C18 C19 C14 2(4) . .
C23 C18 C19 C20 -5(3) . .
C17 C18 C19 C20 172.1(15) . .
C14 C19 C20 C21 -179.9(19) . .
C18 C19 C20 C21 10(3) . .
C19 C20 C21 C22 -10(3) . .
C20 C21 C22 C23 5(3) . .
C21 C22 C23 C18 -1(3) . .
C19 C18 C23 C22 2(3) . .
C17 C18 C23 C22 -175.7(16) . .
Zn1 O4 C24 O4 1.8(18) 1_556 4_565
Zn1 O4 C24 C17 -171.4(6) 1_556 .
C16 C17 C24 O4 -22.0(18) . 4_565
C18 C17 C24 O4 163.0(13) . 4_565
C16 C17 C24 O4 151.6(14) . .
C18 C17 C24 O4 -23.4(17) . .
N1 C25 C26 C27 0.0 . .
C25 C26 C27 C28 0.0 . .
C25 C26 C27 C30 174.5(14) . .
C26 C27 C28 C29 0.0 . .
C30 C27 C28 C29 -175.2(13) . .
C27 C28 C29 N1 0.0 . .
C28 C29 N1 C25 0.0 . .
C28 C29 N1 Zn1 179.5(10) . .
C26 C25 N1 C29 0.0 . .
C26 C25 N1 Zn1 -179.5(10) . .
C28 C27 C30 C31 172.2(11) . .
C26 C27 C30 C31 -2.7(18) . .
N2 C32 C33 C34 2(3) . .
C34 C35 C36 N2 -3(3) . .
C27 C30 C31 C34 -177.9(14) . .
C32 C33 C34 C35 -4(3) . .
C32 C33 C34 C31 -178.2(18) . .
C36 C35 C34 C33 4(3) . .
C36 C35 C34 C31 178.6(16) . .
C30 C31 C34 C33 -82(2) . .
C30 C31 C34 C35 104(2) . .
C35 C36 N2 C32 2(3) . .
C33 C32 N2 C36 -1(3) . .
