#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/76/4507635.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_4507635
loop_
_publ_author_name
'Zhang, Ming-Dao'
'Qin, Ling'
'Yang, Hai-Tao'
'Li, Yi-Zhi'
'Guo, Zi-Jian'
'Zheng, He-Gen'
_publ_section_title
;
 Series of Metal--Organic Frameworks Including Novel Architectural
 Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1961
_journal_paper_doi               10.1021/cg3018612
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C37 H31 N5 O6 Zn'
_chemical_formula_sum            'C37 H31 N5 O6 Zn'
_chemical_formula_weight         707.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.5383(10)
_cell_length_b                   18.7314(14)
_cell_length_c                   26.4300(19)
_cell_measurement_reflns_used    9712
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.548
_cell_measurement_theta_min      2.154
_cell_volume                     6702.4(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            47123
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_T_max  0.847
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.278
_refine_diff_density_min         -1.658
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         5890
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.271
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0619
_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)+(0.1051P)²+9.6273P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1896
_refine_ls_wR_factor_ref         0.1997
_reflns_number_gt                4709
_reflns_number_total             5890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3018612_si_002.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_Hall     -P2ac2ab
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4507635
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 1.0849(4) 0.5198(3) 0.5313(2) 0.0501(12) Uani 1 1 d .
H1A H 1.1339 0.5327 0.5061 0.060 Uiso 1 1 calc R
H1B H 1.1142 0.5267 0.5645 0.060 Uiso 1 1 calc R
C2 C 0.9956(4) 0.5686(3) 0.52593(19) 0.0474(12) Uani 1 1 d .
H2A H 1.0167 0.6179 0.5289 0.057 Uiso 1 1 calc R
H2B H 0.9496 0.5589 0.5532 0.057 Uiso 1 1 calc R
C3 C 0.9428(3) 0.5583(3) 0.47520(17) 0.0407(10) Uani 1 1 d .
H3 H 0.9887 0.5713 0.4481 0.049 Uiso 1 1 calc R
C4 C 0.8551(4) 0.6075(3) 0.47264(19) 0.0474(12) Uani 1 1 d .
C5 C 0.5696(4) 0.5742(3) 0.5442(2) 0.0571(14) Uani 1 1 d .
H5 H 0.6253 0.5455 0.5413 0.069 Uiso 1 1 calc R
C6 C 0.4920(4) 0.5500(3) 0.5734(2) 0.0554(13) Uani 1 1 d .
H6 H 0.4966 0.5060 0.5895 0.067 Uiso 1 1 calc R
C7 C 0.4068(3) 0.5910(2) 0.57880(17) 0.0398(10) Uani 1 1 d .
C8 C 0.4056(4) 0.6549(3) 0.5521(2) 0.0506(12) Uani 1 1 d .
H8 H 0.3500 0.6840 0.5531 0.061 Uiso 1 1 calc R
C9 C 0.4871(4) 0.6753(3) 0.5241(2) 0.0521(13) Uani 1 1 d .
H9 H 0.4846 0.7188 0.5071 0.063 Uiso 1 1 calc R
C10 C -0.4060(5) 0.7134(4) 0.6617(3) 0.0745(18) Uani 1 1 d .
H10 H -0.4503 0.7046 0.6356 0.089 Uiso 1 1 calc R
C11 C -0.3239(4) 0.6699(4) 0.6649(2) 0.0631(15) Uani 1 1 d .
H11 H -0.3158 0.6322 0.6423 0.076 Uiso 1 1 calc R
C12 C -0.2537(4) 0.6829(3) 0.70196(19) 0.0492(12) Uani 1 1 d .
C13 C -0.2739(5) 0.7385(3) 0.7349(2) 0.0663(16) Uani 1 1 d .
H13 H -0.2298 0.7497 0.7607 0.080 Uiso 1 1 calc R
C14 C -0.3606(6) 0.7775(4) 0.7290(3) 0.082(2) Uani 1 1 d .
H14 H -0.3731 0.8139 0.7520 0.098 Uiso 1 1 calc R
N5 N 0.6163(4) 0.7229(3) 0.4013(2) 0.078 Uani 1 1 d U
C15 C 0.1789(3) 0.2374(3) 0.93428(18) 0.0435(11) Uani 1 1 d .
H15 H 0.1432 0.1958 0.9402 0.052 Uiso 1 1 calc R
C16 C 0.1478(4) 0.2822(3) 0.89604(18) 0.0452(11) Uani 1 1 d .
H16 H 0.0923 0.2703 0.8771 0.054 Uiso 1 1 calc R
C17 C 0.1988(4) 0.3446(3) 0.88567(19) 0.0469(11) Uani 1 1 d .
C18 C 0.2790(5) 0.3588(3) 0.9165(2) 0.0733(19) Uani 1 1 d .
H18 H 0.3152 0.4005 0.9119 0.088 Uiso 1 1 calc R
C19 C 0.3055(5) 0.3115(3) 0.9540(3) 0.0695(18) Uani 1 1 d .
H19 H 0.3600 0.3226 0.9740 0.083 Uiso 1 1 calc R
C20 C 0.3241(3) 0.5700(2) 0.61182(17) 0.0392(10) Uani 1 1 d .
C21 C 0.3097(4) 0.4992(3) 0.62647(19) 0.0472(12) Uani 1 1 d .
H21 H 0.3513 0.4639 0.6139 0.057 Uiso 1 1 calc R
C22 C 0.2343(4) 0.4804(3) 0.65947(19) 0.0496(12) Uani 1 1 d .
H22 H 0.2243 0.4328 0.6681 0.059 Uiso 1 1 calc R
C23 C 0.1736(3) 0.5336(3) 0.67965(17) 0.0423(10) Uani 1 1 d .
C24 C 0.1859(3) 0.6030(3) 0.66459(18) 0.0446(11) Uani 1 1 d .
H24 H 0.1438 0.6382 0.6768 0.054 Uiso 1 1 calc R
C25 C 0.2608(3) 0.6211(3) 0.63123(18) 0.0437(11) Uani 1 1 d .
H25 H 0.2686 0.6686 0.6217 0.052 Uiso 1 1 calc R
C26 C -0.1623(4) 0.6391(3) 0.70601(18) 0.0450(11) Uani 1 1 d .
C27 C -0.1263(4) 0.6006(3) 0.66468(18) 0.0501(12) Uani 1 1 d .
H27 H -0.1598 0.6027 0.6340 0.060 Uiso 1 1 calc R
C28 C -0.0426(4) 0.5599(3) 0.66834(18) 0.0495(12) Uani 1 1 d .
H28 H -0.0202 0.5350 0.6402 0.059 Uiso 1 1 calc R
C29 C 0.0092(3) 0.5554(3) 0.71347(17) 0.0431(10) Uani 1 1 d .
C30 C -0.0264(4) 0.5930(3) 0.75508(19) 0.0520(12) Uani 1 1 d .
H30 H 0.0067 0.5903 0.7858 0.062 Uiso 1 1 calc R
C31 C -0.1101(4) 0.6341(3) 0.75112(19) 0.0507(12) Uani 1 1 d .
H31 H -0.1324 0.6591 0.7793 0.061 Uiso 1 1 calc R
C32 C 0.1705(4) 0.3916(3) 0.84325(19) 0.0458(11) Uani 1 1 d .
C33 C 0.0746(4) 0.3946(3) 0.8252(2) 0.0537(13) Uani 1 1 d .
H33 H 0.0254 0.3687 0.8415 0.064 Uiso 1 1 calc R
C34 C 0.0508(4) 0.4356(3) 0.7834(2) 0.0553(13) Uani 1 1 d .
H34 H -0.0141 0.4368 0.7717 0.066 Uiso 1 1 calc R
C35 C 0.1231(4) 0.4750(2) 0.75862(18) 0.0451(11) Uani 1 1 d .
C36 C 0.2189(4) 0.4732(3) 0.77694(19) 0.0505(12) Uani 1 1 d .
H36 H 0.2678 0.5002 0.7612 0.061 Uiso 1 1 calc R
C37 C 0.2421(4) 0.4316(3) 0.8185(2) 0.0517(12) Uani 1 1 d .
H37 H 0.3070 0.4304 0.8301 0.062 Uiso 1 1 calc R
N1 N 0.5685(3) 0.6364(2) 0.52015(15) 0.0456(9) Uani 1 1 d .
N2 N -0.4268(4) 0.7663(4) 0.6927(2) 0.0833(17) Uani 1 1 d .
N3 N 0.2579(3) 0.2509(2) 0.96330(15) 0.0439(9) Uani 1 1 d .
N4 N 0.0991(3) 0.5159(2) 0.71562(15) 0.0475(10) Uani 1 1 d .
O1 O 0.8595(4) 0.6647(2) 0.44877(16) 0.0723(12) Uani 1 1 d .
O2 O 0.7796(3) 0.5908(2) 0.49774(17) 0.0616(10) Uani 1 1 d .
O3 O 0.6344(4) 0.7591(2) 0.43962(15) 0.0811(14) Uani 1 1 d U
O4 O 0.6310(4) 0.6597(2) 0.40500(19) 0.089 Uani 1 1 d U
O5 O 0.5859(5) 0.7464(4) 0.3617(2) 0.120(2) Uani 1 1 d U
O1W O 0.8686(5) 0.7993(4) 0.8390(3) 0.118(2) Uani 1 1 d D
H1W1 H 0.9261(12) 0.7900(4) 0.8277(3) 0.9(5) Uiso 1 1 d RD
H1W2 H 0.8792(5) 0.8117(4) 0.8695(6) 1.4(10) Uiso 1 1 d RD
Zn1 Zn 0.69373(4) 0.67604(3) 0.48499(2) 0.0399(2) Uani 1 1 d U
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
C3 C1 C2 111.7(4) 5_766 .
C3 C1 H1A 109.3 5_766 .
C2 C1 H1A 109.3 . .
C3 C1 H1B 109.3 5_766 .
C2 C1 H1B 109.3 . .
H1A C1 H1B 107.9 . .
C1 C2 C3 112.1(4) . .
C1 C2 H2A 109.2 . .
C3 C2 H2A 109.2 . .
C1 C2 H2B 109.2 . .
C3 C2 H2B 109.2 . .
H2A C2 H2B 107.9 . .
C4 C3 C1 112.9(4) . 5_766
C4 C3 C2 109.3(4) . .
C1 C3 C2 109.6(4) 5_766 .
C4 C3 H3 108.3 . .
C1 C3 H3 108.3 5_766 .
C2 C3 H3 108.3 . .
O1 C4 O2 121.4(5) . .
O1 C4 C3 120.9(5) . .
O2 C4 C3 117.6(5) . .
N1 C5 C6 123.3(5) . .
N1 C5 H5 118.4 . .
C6 C5 H5 118.4 . .
C5 C6 C7 120.4(5) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C8 C7 C6 115.6(4) . .
C8 C7 C20 121.4(4) . .
C6 C7 C20 122.9(4) . .
C9 C8 C7 120.1(4) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
N1 C9 C8 123.6(4) . .
N1 C9 H9 118.2 . .
C8 C9 H9 118.2 . .
N2 C10 C11 125.4(7) . .
N2 C10 H10 117.3 . .
C11 C10 H10 117.3 . .
C10 C11 C12 119.3(6) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C13 C12 C11 116.3(5) . .
C13 C12 C26 122.2(5) . .
C11 C12 C26 121.5(5) . .
C12 C13 C14 119.4(6) . .
C12 C13 H13 120.3 . .
C14 C13 H13 120.3 . .
N2 C14 C13 124.6(7) . .
N2 C14 H14 117.7 . .
C13 C14 H14 117.7 . .
O4 N5 O5 118.9(6) . .
O4 N5 O3 116.0(6) . .
O5 N5 O3 125.1(6) . .
N3 C15 C16 123.2(4) . .
N3 C15 H15 118.4 . .
C16 C15 H15 118.4 . .
C15 C16 C17 120.5(5) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C18 C17 C16 115.8(5) . .
C18 C17 C32 122.5(5) . .
C16 C17 C32 121.7(5) . .
C19 C18 C17 120.3(5) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
N3 C19 C18 123.8(5) . .
N3 C19 H19 118.1 . .
C18 C19 H19 118.1 . .
C25 C20 C21 117.9(4) . .
C25 C20 C7 120.4(4) . .
C21 C20 C7 121.6(4) . .
C22 C21 C20 121.2(4) . .
C22 C21 H21 119.4 . .
C20 C21 H21 119.4 . .
C21 C22 C23 119.4(4) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C24 C23 C22 119.6(4) . .
C24 C23 N4 120.1(4) . .
C22 C23 N4 120.3(4) . .
C23 C24 C25 120.5(4) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C20 C25 C24 121.3(4) . .
C20 C25 H25 119.4 . .
C24 C25 H25 119.4 . .
C31 C26 C27 117.3(5) . .
C31 C26 C12 121.4(5) . .
C27 C26 C12 121.2(4) . .
C28 C27 C26 121.4(5) . .
C28 C27 H27 119.3 . .
C26 C27 H27 119.3 . .
C27 C28 C29 120.9(5) . .
C27 C28 H28 119.6 . .
C29 C28 H28 119.6 . .
C28 C29 C30 118.3(4) . .
C28 C29 N4 119.8(4) . .
C30 C29 N4 121.8(4) . .
C31 C30 C29 120.6(5) . .
C31 C30 H30 119.7 . .
C29 C30 H30 119.7 . .
C30 C31 C26 121.5(5) . .
C30 C31 H31 119.2 . .
C26 C31 H31 119.2 . .
C33 C32 C37 118.1(4) . .
C33 C32 C17 121.9(4) . .
C37 C32 C17 119.9(5) . .
C32 C33 C34 121.1(5) . .
C32 C33 H33 119.4 . .
C34 C33 H33 119.4 . .
C33 C34 C35 120.4(5) . .
C33 C34 H34 119.8 . .
C35 C34 H34 119.8 . .
C36 C35 C34 118.9(4) . .
C36 C35 N4 120.8(4) . .
C34 C35 N4 120.4(4) . .
C37 C36 C35 120.3(5) . .
C37 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C36 C37 C32 121.3(5) . .
C36 C37 H37 119.4 . .
C32 C37 H37 119.4 . .
C9 N1 C5 117.0(4) . .
C9 N1 Zn1 121.2(3) . .
C5 N1 Zn1 121.4(3) . .
C10 N2 C14 115.1(6) . .
C19 N3 C15 116.3(4) . .
C19 N3 Zn1 123.3(4) . 3_646
C15 N3 Zn1 120.2(3) . 3_646
C35 N4 C23 120.1(4) . .
C35 N4 C29 120.8(4) . .
C23 N4 C29 117.1(4) . .
C4 O1 Zn1 80.4(3) . .
C4 O2 Zn1 100.6(3) . .
N5 O3 Zn1 97.8(4) . .
N5 O4 Zn1 90.2(4) . .
H1W1 O1W H1W2 103.6 . .
O2 Zn1 N3 104.26(17) . 3_656
O2 Zn1 N1 96.50(16) . .
N3 Zn1 N1 101.91(16) 3_656 .
O2 Zn1 O3 154.01(18) . .
N3 Zn1 O3 89.78(16) 3_656 .
N1 Zn1 O3 101.92(19) . .
O2 Zn1 O4 105.21(19) . .
N3 Zn1 O4 144.73(16) 3_656 .
N1 Zn1 O4 93.58(17) . .
O3 Zn1 O4 55.83(16) . .
O2 Zn1 O1 57.67(15) . .
N3 Zn1 O1 91.55(16) 3_656 .
N1 Zn1 O1 153.42(15) . .
O3 Zn1 O1 100.93(17) . .
O4 Zn1 O1 88.13(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C3 1.520(7) 5_766
C1 C2 1.522(7) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.531(6) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.506(7) .
C3 C1 1.520(7) 5_766
C3 H3 0.9800 .
C4 O1 1.244(6) .
C4 O2 1.259(7) .
C5 N1 1.328(7) .
C5 C6 1.379(7) .
C5 H5 0.9300 .
C6 C7 1.392(7) .
C6 H6 0.9300 .
C7 C8 1.391(7) .
C7 C20 1.473(6) .
C8 C9 1.382(7) .
C8 H8 0.9300 .
C9 N1 1.327(6) .
C9 H9 0.9300 .
C10 N2 1.316(9) .
C10 C11 1.381(9) .
C10 H10 0.9300 .
C11 C12 1.387(8) .
C11 H11 0.9300 .
C12 C13 1.383(8) .
C12 C26 1.489(7) .
C13 C14 1.392(9) .
C13 H13 0.9300 .
C14 N2 1.328(10) .
C14 H14 0.9300 .
N5 O4 1.205(7) .
N5 O5 1.208(7) .
N5 O3 1.243(7) .
C15 N3 1.341(6) .
C15 C16 1.379(7) .
C15 H15 0.9300 .
C16 C17 1.386(7) .
C16 H16 0.9300 .
C17 C18 1.384(8) .
C17 C32 1.476(7) .
C18 C19 1.377(8) .
C18 H18 0.9300 .
C19 N3 1.327(7) .
C19 H19 0.9300 .
C20 C25 1.384(7) .
C20 C21 1.397(7) .
C21 C22 1.387(7) .
C21 H21 0.9300 .
C22 C23 1.398(7) .
C22 H22 0.9300 .
C23 C24 1.369(7) .
C23 N4 1.426(6) .
C24 C25 1.386(7) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C31 1.389(7) .
C26 C27 1.397(7) .
C27 C28 1.368(7) .
C27 H27 0.9300 .
C28 C29 1.386(7) .
C28 H28 0.9300 .
C29 C30 1.392(7) .
C29 N4 1.427(6) .
C30 C31 1.374(8) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C33 1.383(7) .
C32 C37 1.389(7) .
C33 C34 1.385(7) .
C33 H33 0.9300 .
C34 C35 1.390(7) .
C34 H34 0.9300 .
C35 C36 1.385(7) .
C35 N4 1.408(6) .
C36 C37 1.384(7) .
C36 H36 0.9300 .
C37 H37 0.9300 .
N1 Zn1 2.071(4) .
N3 Zn1 2.065(4) 3_646
O1 Zn1 2.449(5) .
O2 Zn1 2.004(4) .
O3 Zn1 2.123(4) .
O4 Zn1 2.299(5) .
O1W H1W1 0.8511 .
O1W H1W2 0.8513 .
Zn1 N3 2.065(4) 3_656
