#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:30:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179114 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/76/4307629.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_4307629
loop_
_publ_author_name
'Alok Ranjan Paital'
'A-Qing Wu'
'Guo-Cong Guo'
'Guillem Aromí'
'Jordi Ribas-Ariño'
'Debashis Ray'
_publ_contact_author_address
;Debashis Ray 
 Department of Chemistry
 Indian Institute of Technology
 Kharagpur-721302
 India
;
_publ_contact_author_email       dray@chem.iitkgp.ernet.in
_publ_contact_author_fax         91-3222-255303
_publ_contact_author_name        'Dr. Debashis Ray'
_publ_contact_author_phone       03222-283324
_publ_section_title
;
Two Cu2 and Zn2 Metallamacrocycles Featuring a Novel Extended π-Conjugated
Carbazole Bridge
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2947
_journal_page_last               2949
_journal_paper_doi               10.1021/ic062109z
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C52 H32 N6 O11 Zn2'
_chemical_formula_weight         1047.58
_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                109.06(3)
_cell_angle_beta                 103.68(5)
_cell_angle_gamma                98.82(4)
_cell_formula_units_Z            2
_cell_length_a                   11.423(10)
_cell_length_b                   14.241(12)
_cell_length_c                   18.88(2)
_cell_measurement_reflns_used    9563
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.13
_cell_volume                     2730(5)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1062
_diffrn_reflns_av_sigmaI/netI    0.1826
_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       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20033
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.939
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.649
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         9563
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.2580
_refine_ls_R_factor_gt           0.1617
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1076P)²+12.6259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2986
_refine_ls_wR_factor_ref         0.3619
_reflns_number_gt                4829
_reflns_number_total             9563
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062109z-file002.cif
_cod_data_source_block           h
_cod_original_cell_volume        2731(4)
_cod_database_code               4307629
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 0.33827(14) 0.93640(14) 0.21966(9) 0.0573(5) Uani 1 1 d . . .
O1 O 0.3130(8) 0.9458(8) 0.3179(5) 0.062(3) Uani 1 1 d . . .
N1 N 0.1629(9) 0.8520(8) 0.1537(6) 0.052(3) Uani 1 1 d . . .
N3 N -0.3455(8) 0.9524(8) -0.1766(5) 0.042(2) Uani 1 1 d . . .
C14 C -0.0823(11) 0.8457(9) -0.1087(7) 0.046(3) Uani 1 1 d . . .
C12 C 0.0097(10) 0.8292(9) -0.0497(7) 0.042(3) Uani 1 1 d . . .
C8 C 0.1314(11) 0.8265(9) 0.0690(7) 0.042(3) Uani 1 1 d . . .
N2 N 0.0516(9) 0.7705(8) -0.1681(6) 0.051(3) Uani 1 1 d . . .
C19 C -0.1806(11) 0.8918(9) -0.1070(7) 0.042(3) Uani 1 1 d . . .
H19A H -0.2014 0.9160 -0.0608 0.051 Uiso 1 1 calc R . .
C21 C -0.5279(11) 0.9852(10) -0.1339(8) 0.054(3) Uani 1 1 d . . .
C20 C -0.4282(10) 0.9363(9) -0.1413(7) 0.043(3) Uani 1 1 d . . .
H20A H -0.4213 0.8878 -0.1185 0.052 Uiso 1 1 calc R . .
C13 C 0.0299(11) 0.8502(10) 0.0305(7) 0.050(3) Uani 1 1 d . . .
H13A H -0.0234 0.8790 0.0565 0.060 Uiso 1 1 calc R . .
O2 O -0.4902(9) 1.0932(8) -0.2058(6) 0.074(3) Uani 1 1 d . . .
C3 C 0.0961(15) 0.9245(14) 0.4247(9) 0.084(5) Uani 1 1 d . . .
H3A H 0.0979 0.9425 0.4770 0.101 Uiso 1 1 calc R . .
C9 C 0.2144(11) 0.7847(11) 0.0306(8) 0.060(4) Uani 1 1 d . . .
H9A H 0.2852 0.7734 0.0595 0.072 Uiso 1 1 calc R . .
C22 C -0.6054(11) 0.9531(10) -0.0942(7) 0.056(3) Uani 1 1 d . . .
H22A H -0.5915 0.8999 -0.0776 0.067 Uiso 1 1 calc R . .
C11 C 0.0887(11) 0.7826(10) -0.0887(7) 0.052(3) Uani 1 1 d . . .
C15 C -0.0518(10) 0.8110(9) -0.1805(7) 0.042(3) Uani 1 1 d . . .
C17 C -0.2154(11) 0.8656(10) -0.2445(7) 0.051(3) Uani 1 1 d . . .
H17A H -0.2597 0.8740 -0.2891 0.061 Uiso 1 1 calc R . .
C18 C -0.2483(11) 0.9017(9) -0.1751(7) 0.042(3) Uani 1 1 d . . .
C1 C 0.2039(13) 0.9222(11) 0.3296(8) 0.057(4) Uani 1 1 d . . .
C6 C 0.0928(12) 0.8733(11) 0.2691(8) 0.055(4) Uani 1 1 d . . .
C10 C 0.1921(12) 0.7603(12) -0.0492(8) 0.064(4) Uani 1 1 d . . .
H10A H 0.2445 0.7301 -0.0752 0.077 Uiso 1 1 calc R . .
C4 C -0.0130(14) 0.8756(12) 0.3672(10) 0.073(5) Uani 1 1 d . . .
H4A H -0.0851 0.8605 0.3803 0.088 Uiso 1 1 calc R . .
C5 C -0.0190(13) 0.8474(13) 0.2882(9) 0.075(5) Uani 1 1 d . . .
H5A H -0.0942 0.8125 0.2486 0.090 Uiso 1 1 calc R . .
C2 C 0.2032(13) 0.9479(12) 0.4077(9) 0.072(4) Uani 1 1 d . . .
H2A H 0.2772 0.9816 0.4486 0.086 Uiso 1 1 calc R . .
C23 C -0.6994(13) 0.9955(12) -0.0788(9) 0.072(4) Uani 1 1 d . . .
H23A H -0.7471 0.9753 -0.0501 0.086 Uiso 1 1 calc R . .
C26 C -0.5514(12) 1.0619(12) -0.1630(8) 0.060(4) Uani 1 1 d . . .
C24 C -0.7205(14) 1.0712(15) -0.1082(10) 0.087(5) Uani 1 1 d . . .
H24A H -0.7862 1.1005 -0.1008 0.104 Uiso 1 1 calc R . .
C7 C 0.0771(12) 0.8407(12) 0.1854(9) 0.065(4) Uani 1 1 d . . .
H7A H -0.0033 0.8085 0.1515 0.078 Uiso 1 1 calc R . .
C25 C -0.6472(13) 1.1039(13) -0.1479(11) 0.086(5) Uani 1 1 d . . .
H25A H -0.6632 1.1562 -0.1651 0.104 Uiso 1 1 calc R . .
Zn2 Zn 0.68940(14) 0.34494(13) 0.26456(9) 0.0589(5) Uani 1 1 d . . .
N4 N 0.7766(9) 0.4455(8) 0.3763(6) 0.047(3) Uani 1 1 d . . .
C52 C 0.4557(14) 0.6335(12) 0.8692(8) 0.063(4) Uani 1 1 d . . .
O3 O 0.7901(8) 0.2507(7) 0.2663(5) 0.066(3) Uani 1 1 d . . .
N6 N 0.4847(9) 0.6827(8) 0.7292(6) 0.053(3) Uani 1 1 d . . .
O4 O 0.3461(9) 0.6311(10) 0.8286(6) 0.085(3) Uani 1 1 d . . .
N5 N 0.5668(10) 0.7736(9) 0.4766(6) 0.061(3) Uani 1 1 d . . .
C35 C 0.7184(12) 0.5931(11) 0.3597(8) 0.062(4) Uani 1 1 d . . .
H35A H 0.7442 0.5777 0.3150 0.074 Uiso 1 1 calc R . .
C45 C 0.5661(10) 0.6528(9) 0.6185(7) 0.047(3) Uani 1 1 d . . .
H45A H 0.5961 0.6004 0.6294 0.057 Uiso 1 1 calc R . .
C44 C 0.5041(10) 0.7055(10) 0.6649(7) 0.048(3) Uani 1 1 d . . .
C32 C 0.8865(12) 0.3214(12) 0.4074(8) 0.059(4) Uani 1 1 d . . .
C40 C 0.5861(10) 0.6758(9) 0.5540(7) 0.047(3) Uani 1 1 d . . .
C41 C 0.5394(12) 0.7601(11) 0.5409(8) 0.057(4) Uani 1 1 d . . .
C38 C 0.6420(11) 0.6354(9) 0.4925(7) 0.045(3) Uani 1 1 d . . .
C27 C 0.8521(11) 0.2426(11) 0.3317(8) 0.052(3) Uani 1 1 d . . .
C36 C 0.6683(11) 0.6751(12) 0.3802(7) 0.062(4) Uani 1 1 d . . .
H36A H 0.6610 0.7152 0.3500 0.074 Uiso 1 1 calc R . .
C43 C 0.4567(11) 0.7827(10) 0.6470(8) 0.054(3) Uani 1 1 d . . .
H43A H 0.4106 0.8154 0.6774 0.065 Uiso 1 1 calc R . .
C39 C 0.6905(10) 0.5541(9) 0.4703(7) 0.046(3) Uani 1 1 d . . .
H39A H 0.6965 0.5125 0.4995 0.056 Uiso 1 1 calc R . .
C33 C 0.8448(12) 0.4173(10) 0.4245(8) 0.058(4) Uani 1 1 d . . .
H33A H 0.8719 0.4623 0.4769 0.069 Uiso 1 1 calc R . .
C34 C 0.7321(11) 0.5314(11) 0.4042(8) 0.051(3) Uani 1 1 d . . .
C47 C 0.5689(13) 0.6546(9) 0.8499(7) 0.052(3) Uani 1 1 d . . .
C30 C 1.0052(14) 0.2210(12) 0.4636(10) 0.072(4) Uani 1 1 d . . .
H30A H 1.0592 0.2145 0.5061 0.086 Uiso 1 1 calc R . .
C37 C 0.6274(12) 0.6989(10) 0.4477(8) 0.052(3) Uani 1 1 d . . .
C29 C 0.9665(16) 0.1438(15) 0.3922(11) 0.085(5) Uani 1 1 d . . .
H29A H 0.9909 0.0829 0.3861 0.102 Uiso 1 1 calc R . .
C31 C 0.9645(13) 0.3094(11) 0.4735(9) 0.069(4) Uani 1 1 d . . .
H31A H 0.9877 0.3611 0.5233 0.083 Uiso 1 1 calc R . .
C28 C 0.8904(13) 0.1550(12) 0.3278(11) 0.077(5) Uani 1 1 d . . .
H28A H 0.8640 0.1002 0.2795 0.092 Uiso 1 1 calc R . .
C42 C 0.4737(11) 0.8134(11) 0.5881(8) 0.058(4) Uani 1 1 d . . .
H42A H 0.4433 0.8670 0.5794 0.069 Uiso 1 1 calc R . .
O2W O 0.4896(10) 0.0681(9) 0.5747(6) 0.093(3) Uani 1 1 d . . .
C16 C -0.1190(11) 0.8178(10) -0.2483(7) 0.053(3) Uani 1 1 d . . .
H16A H -0.1005 0.7912 -0.2951 0.063 Uiso 1 1 calc R . .
C51 C 0.4688(15) 0.6221(14) 0.9413(9) 0.084(5) Uani 1 1 d . . .
H51A H 0.3982 0.6121 0.9570 0.101 Uiso 1 1 calc R . .
C46 C 0.5748(12) 0.6707(10) 0.7792(8) 0.054(3) Uani 1 1 d . . .
H46A H 0.6503 0.6725 0.7684 0.064 Uiso 1 1 calc R . .
C48 C 0.6813(15) 0.6526(11) 0.8987(9) 0.072(4) Uani 1 1 d . . .
H48A H 0.7522 0.6600 0.8828 0.087 Uiso 1 1 calc R . .
C50 C 0.5830(18) 0.6250(14) 0.9910(10) 0.090(5) Uani 1 1 d . . .
H50A H 0.5876 0.6168 1.0383 0.108 Uiso 1 1 calc R . .
C49 C 0.6910(16) 0.6405(14) 0.9678(10) 0.097(6) Uani 1 1 d . . .
H49A H 0.7677 0.6424 0.9997 0.116 Uiso 1 1 calc R . .
O1W O 0.3204(17) 0.076(2) 0.6592(13) 0.235(11) Uani 1 1 d . . .
O3W O 0.694(4) 0.392(3) 0.736(2) 0.347(19) Uani 1 1 d . . .
O4W O 0.608(3) 0.342(3) 0.804(2) 0.44(3) Uani 1 1 d . . .
O5W O 0.881(4) 0.506(3) 0.681(2) 0.39(2) Uani 1 1 d . . .
O6W O 0.760(3) 0.375(3) 0.644(3) 0.42(3) Uani 1 1 d . . .
O7W O 0.941(4) 0.528(3) 1.085(3) 0.72(7) Uani 1 1 d . . .
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
_geom_angle_publ_flag
O2 Zn1 O1 116.3(4) 2_575 . ?
O2 Zn1 N3 95.5(4) 2_575 2_575 ?
O1 Zn1 N3 126.4(4) . 2_575 ?
O2 Zn1 N1 127.3(5) 2_575 . ?
O1 Zn1 N1 94.9(4) . . ?
N3 Zn1 N1 98.4(4) 2_575 . ?
C1 O1 Zn1 126.0(8) . . ?
C7 N1 C8 120.3(11) . . ?
C7 N1 Zn1 121.2(9) . . ?
C8 N1 Zn1 116.8(8) . . ?
C20 N3 C18 120.4(10) . . ?
C20 N3 Zn1 121.0(8) . 2_575 ?
C18 N3 Zn1 118.0(7) . 2_575 ?
C19 C14 C15 118.6(11) . . ?
C19 C14 C12 134.0(11) . . ?
C15 C14 C12 107.3(10) . . ?
C13 C12 C11 120.9(11) . . ?
C13 C12 C14 133.4(10) . . ?
C11 C12 C14 105.8(11) . . ?
C13 C8 C9 122.2(11) . . ?
C13 C8 N1 120.1(11) . . ?
C9 C8 N1 117.5(10) . . ?
C15 N2 C11 107.4(9) . . ?
C14 C19 C18 119.7(11) . . ?
C22 C21 C26 119.2(11) . . ?
C22 C21 C20 116.3(13) . . ?
C26 C21 C20 124.6(12) . . ?
N3 C20 C21 127.3(12) . . ?
C8 C13 C12 116.9(11) . . ?
C26 O2 Zn1 125.5(8) . 2_575 ?
C4 C3 C2 121.2(15) . . ?
C10 C9 C8 120.9(11) . . ?
C23 C22 C21 123.4(14) . . ?
C10 C11 N2 127.4(12) . . ?
C10 C11 C12 121.8(12) . . ?
N2 C11 C12 110.7(11) . . ?
C16 C15 N2 128.7(11) . . ?
C16 C15 C14 122.5(11) . . ?
N2 C15 C14 108.8(10) . . ?
C16 C17 C18 121.9(11) . . ?
C19 C18 C17 119.6(10) . . ?
C19 C18 N3 122.7(10) . . ?
C17 C18 N3 117.5(10) . . ?
O1 C1 C6 123.5(12) . . ?
O1 C1 C2 117.3(13) . . ?
C6 C1 C2 119.1(13) . . ?
C1 C6 C5 119.0(13) . . ?
C1 C6 C7 126.3(12) . . ?
C5 C6 C7 114.7(13) . . ?
C9 C10 C11 117.2(12) . . ?
C3 C4 C5 120.9(13) . . ?
C4 C5 C6 118.7(14) . . ?
C3 C2 C1 121.0(14) . . ?
C22 C23 C24 116.2(14) . . ?
O2 C26 C25 118.3(15) . . ?
O2 C26 C21 124.5(11) . . ?
C25 C26 C21 117.2(14) . . ?
C25 C24 C23 121.9(14) . . ?
N1 C7 C6 126.4(13) . . ?
C26 C25 C24 122.1(16) . . ?
O4 Zn2 O3 113.6(4) 2_666 . ?
O4 Zn2 N6 97.8(4) 2_666 2_666 ?
O3 Zn2 N6 122.6(4) . 2_666 ?
O4 Zn2 N4 129.3(5) 2_666 . ?
O3 Zn2 N4 96.3(4) . . ?
N6 Zn2 N4 98.8(4) 2_666 . ?
C33 N4 C34 119.6(11) . . ?
C33 N4 Zn2 119.6(9) . . ?
C34 N4 Zn2 118.0(8) . . ?
O4 C52 C51 118.0(13) . . ?
O4 C52 C47 125.8(12) . . ?
C51 C52 C47 116.0(13) . . ?
C27 O3 Zn2 123.4(8) . . ?
C46 N6 C44 121.0(10) . . ?
C46 N6 Zn2 120.4(9) . 2_666 ?
C44 N6 Zn2 118.3(8) . 2_666 ?
C52 O4 Zn2 124.9(9) . 2_666 ?
C41 N5 C37 106.8(11) . . ?
C36 C35 C34 121.8(12) . . ?
C44 C45 C40 122.0(12) . . ?
C45 C44 C43 118.7(11) . . ?
C45 C44 N6 121.8(11) . . ?
C43 C44 N6 119.5(10) . . ?
C27 C32 C31 119.7(13) . . ?
C27 C32 C33 124.4(12) . . ?
C31 C32 C33 115.9(13) . . ?
C45 C40 C38 136.8(12) . . ?
C45 C40 C41 116.4(12) . . ?
C38 C40 C41 106.7(11) . . ?
N5 C41 C42 128.7(12) . . ?
N5 C41 C40 109.7(11) . . ?
C42 C41 C40 121.6(12) . . ?
C39 C38 C37 121.1(11) . . ?
C39 C38 C40 134.2(12) . . ?
C37 C38 C40 104.5(10) . . ?
O3 C27 C28 119.5(14) . . ?
O3 C27 C32 124.0(12) . . ?
C28 C27 C32 116.5(14) . . ?
C35 C36 C37 119.7(13) . . ?
C42 C43 C44 124.4(11) . . ?
C38 C39 C34 120.9(12) . . ?
N4 C33 C32 127.6(12) . . ?
N4 C34 C39 123.2(11) . . ?
N4 C34 C35 118.0(11) . . ?
C39 C34 C35 118.6(12) . . ?
C48 C47 C52 119.7(13) . . ?
C48 C47 C46 115.9(13) . . ?
C52 C47 C46 124.2(12) . . ?
C29 C30 C31 120.0(15) . . ?
N5 C37 C36 129.7(12) . . ?
N5 C37 C38 112.3(11) . . ?
C36 C37 C38 117.9(12) . . ?
C30 C29 C28 120.1(16) . . ?
C30 C31 C32 120.0(14) . . ?
C27 C28 C29 123.4(17) . . ?
C43 C42 C41 116.8(12) . . ?
C15 C16 C17 117.6(11) . . ?
C52 C51 C50 123.3(16) . . ?
N6 C46 C47 126.0(12) . . ?
C49 C48 C47 122.7(16) . . ?
C51 C50 C49 118.8(15) . . ?
C48 C49 C50 119.2(15) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O2 1.905(9) 2_575 ?
Zn1 O1 1.910(9) . ?
Zn1 N3 2.001(9) 2_575 ?
Zn1 N1 2.028(10) . ?
O1 C1 1.328(14) . ?
N1 C7 1.280(15) . ?
N1 C8 1.459(14) . ?
N3 C20 1.311(14) . ?
N3 C18 1.415(13) . ?
N3 Zn1 2.001(9) 2_575 ?
C14 C19 1.387(15) . ?
C14 C15 1.428(16) . ?
C14 C12 1.448(16) . ?
C12 C13 1.398(16) . ?
C12 C11 1.405(16) . ?
C8 C13 1.367(15) . ?
C8 C9 1.413(17) . ?
N2 C15 1.396(14) . ?
N2 C11 1.402(15) . ?
C19 C18 1.397(15) . ?
C21 C22 1.404(17) . ?
C21 C26 1.406(19) . ?
C21 C20 1.435(15) . ?
O2 C26 1.322(16) . ?
O2 Zn1 1.905(9) 2_575 ?
C3 C4 1.35(2) . ?
C3 C2 1.357(19) . ?
C9 C10 1.380(17) . ?
C22 C23 1.355(17) . ?
C11 C10 1.380(17) . ?
C15 C16 1.368(15) . ?
C17 C16 1.384(16) . ?
C17 C18 1.405(15) . ?
C1 C6 1.388(18) . ?
C1 C2 1.401(18) . ?
C6 C5 1.435(18) . ?
C6 C7 1.451(18) . ?
C4 C5 1.393(19) . ?
C23 C24 1.39(2) . ?
C26 C25 1.369(17) . ?
C24 C25 1.37(2) . ?
Zn2 O4 1.864(9) 2_666 ?
Zn2 O3 1.900(8) . ?
Zn2 N6 2.006(10) 2_666 ?
Zn2 N4 2.022(10) . ?
N4 C33 1.262(15) . ?
N4 C34 1.390(15) . ?
C52 O4 1.293(15) . ?
C52 C51 1.398(18) . ?
C52 C47 1.438(18) . ?
O3 C27 1.320(14) . ?
N6 C46 1.295(15) . ?
N6 C44 1.411(15) . ?
N6 Zn2 2.006(10) 2_666 ?
O4 Zn2 1.864(9) 2_666 ?
N5 C41 1.387(16) . ?
N5 C37 1.391(15) . ?
C35 C36 1.362(18) . ?
C35 C34 1.401(17) . ?
C45 C44 1.364(16) . ?
C45 C40 1.417(16) . ?
C44 C43 1.399(16) . ?
C32 C27 1.418(18) . ?
C32 C31 1.429(18) . ?
C32 C33 1.477(18) . ?
C40 C38 1.453(16) . ?
C40 C41 1.455(17) . ?
C41 C42 1.408(18) . ?
C38 C39 1.347(15) . ?
C38 C37 1.429(16) . ?
C27 C28 1.369(18) . ?
C36 C37 1.416(17) . ?
C43 C42 1.365(17) . ?
C39 C34 1.398(16) . ?
C47 C48 1.402(17) . ?
C47 C46 1.442(17) . ?
C30 C29 1.35(2) . ?
C30 C31 1.379(19) . ?
C29 C28 1.39(2) . ?
C51 C50 1.40(2) . ?
C48 C49 1.35(2) . ?
C50 C49 1.41(2) . ?
