#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:43:35 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180352 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/21/7202184.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_7202184
loop_
_publ_author_name
'Liu, Wenlong'
'Ye, Lihua'
'Liu, Xinfang'
'Yuan, Limin'
'Jiang, Jiaxun'
'Yan, Chaoguo'
_publ_section_title
;
 Hydrothermal syntheses, structures and luminescent properties of d10
 metal--organic frameworks based on rigid
 3,3′,5,5′-azobenzenetetracarboxylic acid
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1395
_journal_paper_doi               10.1039/b806360e
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C28 H18 Cd2 N10 O8'
_chemical_formula_sum            'C28 H18 Cd2 N10 O8'
_chemical_formula_weight         847.32
_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                83.7380(10)
_cell_angle_beta                 83.711(3)
_cell_angle_gamma                80.314(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8622(3)
_cell_length_b                   10.0043(2)
_cell_length_c                   14.8619(4)
_cell_measurement_reflns_used    3129
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.88
_cell_measurement_theta_min      2.42
_cell_volume                     1430.58(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16364
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_T_max  0.828
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5603
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0385
_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)+(0.0389P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0774
_reflns_number_gt                4115
_reflns_number_total             5603
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806360e.txt
_cod_data_source_block           compound1
_cod_database_code               7202184
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
Cd1 Cd 0.19708(3) 0.25144(3) 0.15921(2) 0.036 Uani 1 1 d . . .
Cd2 Cd -0.00683(3) -0.00555(3) 0.31547(2) 0.033 Uani 1 1 d . . .
C1 C 0.1292(4) 0.3291(4) 0.4121(3) 0.0347(9) Uani 1 1 d . . .
C2 C 0.0852(4) 0.4577(4) 0.3680(3) 0.0347(9) Uani 1 1 d . . .
H2 H 0.0335 0.4649 0.3185 0.042 Uiso 1 1 calc R . .
C3 C 0.1178(4) 0.5735(4) 0.3969(3) 0.0351(9) Uani 1 1 d . . .
C4 C 0.1947(4) 0.5618(5) 0.4703(3) 0.0371(9) Uani 1 1 d . . .
H4 H 0.2166 0.6399 0.4902 0.045 Uiso 1 1 calc R . .
C5 C 0.2405(4) 0.4344(4) 0.5153(3) 0.031 Uani 1 1 d . . .
C6 C 0.2060(4) 0.3224(4) 0.4859(3) 0.037 Uani 1 1 d . . .
H6 H 0.2348 0.2378 0.5161 0.045 Uiso 1 1 calc R . .
C7 C 0.0920(4) 0.2069(4) 0.3787(3) 0.0347(9) Uani 1 1 d . . .
C8 C 0.0637(4) 0.7134(4) 0.3520(3) 0.034 Uani 1 1 d . . .
C9 C 0.3752(4) -0.4151(4) 0.2270(3) 0.031 Uani 1 1 d . . .
C10 C 0.3176(4) -0.2833(4) 0.1941(3) 0.033 Uani 1 1 d . . .
H10 H 0.2495 -0.2711 0.1540 0.040 Uiso 1 1 calc R . .
C11 C 0.3634(4) -0.1688(4) 0.2220(3) 0.0321(9) Uani 1 1 d . . .
C12 C 0.4631(4) -0.1895(4) 0.2832(2) 0.0333(9) Uani 1 1 d . . .
H12 H 0.4938 -0.1149 0.3018 0.040 Uiso 1 1 calc R . .
C13 C 0.5171(4) -0.3183(4) 0.3168(3) 0.034 Uani 1 1 d . . .
C14 C 0.4749(4) -0.4325(4) 0.2888(3) 0.0348(9) Uani 1 1 d . . .
H14 H 0.5130 -0.5196 0.3112 0.042 Uiso 1 1 calc R . .
C15 C 0.3219(4) -0.5366(5) 0.2018(3) 0.037 Uani 1 1 d . . .
C16 C 0.2973(4) -0.0262(4) 0.1899(3) 0.0364(9) Uani 1 1 d . . .
C17 C 0.3018(4) 0.2446(4) -0.0789(3) 0.0367(9) Uani 1 1 d . . .
H17 H 0.3969 0.2173 -0.0805 0.044 Uiso 1 1 calc R . .
C18 C 0.2278(4) 0.2682(4) -0.1528(3) 0.030 Uani 1 1 d . . .
H18 H 0.2637 0.2598 -0.2128 0.036 Uiso 1 1 calc R . .
C19 C 0.0889(4) 0.3048(4) -0.0311(3) 0.0330(9) Uani 1 1 d . . .
C20 C -0.0326(4) 0.3400(4) 0.0291(3) 0.0316(9) Uani 1 1 d . . .
C21 C -0.2413(4) 0.4074(4) 0.0916(2) 0.0313(9) Uani 1 1 d . . .
H21 H -0.3353 0.4405 0.0994 0.038 Uiso 1 1 calc R . .
C22 C -0.1534(4) 0.3652(4) 0.1592(3) 0.0360(9) Uani 1 1 d . . .
H22 H -0.1779 0.3637 0.2215 0.043 Uiso 1 1 calc R . .
C23 C -0.1305(4) 0.0383(4) 0.1038(3) 0.034 Uani 1 1 d . . .
H23 H -0.0482 0.0197 0.0670 0.040 Uiso 1 1 calc R . .
C24 C -0.2561(5) 0.0683(4) 0.0729(3) 0.0391(10) Uani 1 1 d . . .
H24 H -0.2761 0.0727 0.0128 0.047 Uiso 1 1 calc R . .
C25 C -0.2727(4) 0.0747(4) 0.2193(3) 0.0328(9) Uani 1 1 d . . .
C26 C -0.3174(4) 0.0989(4) 0.3130(3) 0.0358(9) Uani 1 1 d . . .
C27 C -0.4322(4) 0.1597(4) 0.4391(3) 0.0378(10) Uani 1 1 d . . .
H27 H -0.5016 0.1944 0.4818 0.045 Uiso 1 1 calc R . .
C28 C -0.3055(4) 0.1009(4) 0.4561(3) 0.0333(9) Uani 1 1 d . . .
H28 H -0.2717 0.0880 0.5130 0.040 Uiso 1 1 calc R . .
N1 N 0.3203(3) 0.4373(3) 0.5929(2) 0.0311(7) Uani 1 1 d . . .
N2 N 0.3848(3) 0.3234(4) 0.6152(2) 0.0367(8) Uani 1 1 d . . .
N3 N -0.0214(3) 0.3254(3) 0.1171(2) 0.0341(8) Uani 1 1 d . . .
N4 N 0.2144(3) 0.2672(3) -0.0020(2) 0.0364(8) Uani 1 1 d . . .
N5 N -0.1618(3) 0.3907(3) 0.0108(2) 0.0354(8) Uani 1 1 d . . .
H5 H -0.1902 0.4097 -0.0425 0.042 Uiso 1 1 calc R . .
N6 N 0.0926(4) 0.3061(3) -0.1239(2) 0.0372(8) Uani 1 1 d . . .
H6A H 0.0241 0.3265 -0.1567 0.045 Uiso 1 1 calc R . .
N7 N -0.2311(3) 0.0618(4) 0.3761(2) 0.0364(8) Uani 1 1 d . . .
N8 N -0.1390(3) 0.0385(3) 0.1949(2) 0.0315(7) Uani 1 1 d . . .
N9 N -0.4436(3) 0.1605(3) 0.3478(2) 0.0346(8) Uani 1 1 d . . .
H9 H -0.5146 0.1928 0.3188 0.042 Uiso 1 1 calc R . .
N10 N -0.3509(4) 0.0914(3) 0.1489(2) 0.0359(8) Uani 1 1 d . . .
H10A H -0.4394 0.1118 0.1503 0.043 Uiso 1 1 calc R . .
O1 O 0.0679(3) 0.2098(3) 0.29625(18) 0.0346(6) Uani 1 1 d . . .
O2 O 0.0861(3) 0.1014(3) 0.43219(18) 0.0382(7) Uani 1 1 d . . .
O3 O -0.0128(3) 0.7232(3) 0.29095(17) 0.0348(6) Uani 1 1 d . . .
O4 O 0.1107(3) 0.8104(3) 0.37850(19) 0.0380(7) Uani 1 1 d . . .
O5 O 0.3757(3) -0.6531(3) 0.22936(18) 0.0375(6) Uani 1 1 d . . .
O6 O 0.2208(3) -0.5151(3) 0.15362(17) 0.0320(6) Uani 1 1 d . . .
O7 O 0.3669(3) 0.0682(3) 0.1853(2) 0.0417(7) Uani 1 1 d . . .
O8 O 0.1782(3) -0.0088(3) 0.17107(18) 0.0349(6) 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'
Cd Cd -0.8075 1.2024 '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
N3 Cd1 O7 146.53(11) . . ?
N3 Cd1 O1 79.63(10) . . ?
O7 Cd1 O1 94.42(10) . . ?
N3 Cd1 N4 73.30(11) . . ?
O7 Cd1 N4 99.35(11) . . ?
O1 Cd1 N4 148.58(11) . . ?
N3 Cd1 O6 86.89(10) . 1_565 ?
O7 Cd1 O6 126.24(10) . 1_565 ?
O1 Cd1 O6 104.41(9) . 1_565 ?
N4 Cd1 O6 89.94(10) . 1_565 ?
N3 Cd1 O5 137.27(10) . 1_565 ?
O7 Cd1 O5 75.66(10) . 1_565 ?
O1 Cd1 O5 94.29(9) . 1_565 ?
N4 Cd1 O5 116.40(11) . 1_565 ?
O6 Cd1 O5 53.41(8) 1_565 1_565 ?
N3 Cd1 O8 95.27(10) . . ?
O7 Cd1 O8 51.74(9) . . ?
O1 Cd1 O8 74.77(9) . . ?
N4 Cd1 O8 91.92(10) . . ?
O6 Cd1 O8 177.48(8) 1_565 . ?
O5 Cd1 O8 124.14(9) 1_565 . ?
O4 Cd2 N8 133.94(11) 1_545 . ?
O4 Cd2 N7 118.00(11) 1_545 . ?
N8 Cd2 N7 73.88(11) . . ?
O4 Cd2 O1 123.75(10) 1_545 . ?
N8 Cd2 O1 94.82(10) . . ?
N7 Cd2 O1 98.62(11) . . ?
O4 Cd2 O2 82.33(10) 1_545 . ?
N8 Cd2 O2 143.70(10) . . ?
N7 Cd2 O2 91.37(11) . . ?
O1 Cd2 O2 54.00(9) . . ?
C6 C1 C2 118.0(4) . . ?
C6 C1 C7 122.9(4) . . ?
C2 C1 C7 119.1(4) . . ?
C3 C2 C1 120.8(4) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 119.2(4) . . ?
C2 C3 C8 120.7(4) . . ?
C4 C3 C8 120.1(4) . . ?
C3 C4 C5 121.1(4) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C6 C5 C4 118.4(4) . . ?
C6 C5 N1 126.3(4) . . ?
C4 C5 N1 115.3(3) . . ?
C5 C6 C1 122.5(4) . . ?
C5 C6 H6 118.8 . . ?
C1 C6 H6 118.8 . . ?
O2 C7 O1 120.9(4) . . ?
O2 C7 C1 119.5(4) . . ?
O1 C7 C1 119.6(4) . . ?
O3 C8 O4 125.5(4) . . ?
O3 C8 C3 119.6(4) . . ?
O4 C8 C3 114.8(4) . . ?
C14 C9 C10 119.8(4) . . ?
C14 C9 C15 119.8(4) . . ?
C10 C9 C15 120.2(4) . . ?
C9 C10 C11 119.9(4) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 118.9(4) . . ?
C12 C11 C16 120.8(4) . . ?
C10 C11 C16 120.1(4) . . ?
C13 C12 C11 121.1(4) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C14 120.7(4) . . ?
C12 C13 N2 114.7(4) . 2_656 ?
C14 C13 N2 124.6(4) . 2_656 ?
C9 C14 C13 119.6(4) . . ?
C9 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
O5 C15 O6 122.5(4) . . ?
O5 C15 C9 119.8(4) . . ?
O6 C15 C9 117.7(4) . . ?
O8 C16 O7 123.2(4) . . ?
O8 C16 C11 118.3(4) . . ?
O7 C16 C11 118.5(4) . . ?
C18 C17 N4 109.4(4) . . ?
C18 C17 H17 125.3 . . ?
N4 C17 H17 125.3 . . ?
N6 C18 C17 108.4(3) . . ?
N6 C18 H18 125.8 . . ?
C17 C18 H18 125.8 . . ?
N4 C19 N6 111.9(3) . . ?
N4 C19 C20 122.7(4) . . ?
N6 C19 C20 125.4(4) . . ?
N3 C20 N5 111.3(3) . . ?
N3 C20 C19 118.5(3) . . ?
N5 C20 C19 130.2(4) . . ?
N5 C21 C22 106.1(3) . . ?
N5 C21 H21 126.9 . . ?
C22 C21 H21 126.9 . . ?
C21 C22 N3 107.7(3) . . ?
C21 C22 H22 126.1 . . ?
N3 C22 H22 126.1 . . ?
C24 C23 N8 111.2(4) . . ?
C24 C23 H23 124.4 . . ?
N8 C23 H23 124.4 . . ?
C23 C24 N10 106.5(4) . . ?
C23 C24 H24 126.7 . . ?
N10 C24 H24 126.7 . . ?
N8 C25 N10 113.0(3) . . ?
N8 C25 C26 119.3(4) . . ?
N10 C25 C26 127.6(4) . . ?
N7 C26 N9 112.1(3) . . ?
N7 C26 C25 120.1(4) . . ?
N9 C26 C25 127.8(4) . . ?
C28 C27 N9 108.4(3) . . ?
C28 C27 H27 125.8 . . ?
N9 C27 H27 125.8 . . ?
C27 C28 N7 109.5(3) . . ?
C27 C28 H28 125.2 . . ?
N7 C28 H28 125.2 . . ?
N2 N1 C5 111.5(3) . . ?
N1 N2 C13 116.0(3) . 2_656 ?
C20 N3 C22 106.6(3) . . ?
C20 N3 Cd1 115.6(3) . . ?
C22 N3 Cd1 137.9(3) . . ?
C19 N4 C17 105.1(3) . . ?
C19 N4 Cd1 109.8(2) . . ?
C17 N4 Cd1 144.9(3) . . ?
C20 N5 C21 108.2(3) . . ?
C20 N5 H5 125.9 . . ?
C21 N5 H5 125.9 . . ?
C18 N6 C19 105.2(3) . . ?
C18 N6 H6A 127.4 . . ?
C19 N6 H6A 127.4 . . ?
C26 N7 C28 105.1(3) . . ?
C26 N7 Cd2 112.5(3) . . ?
C28 N7 Cd2 141.1(3) . . ?
C25 N8 C23 104.6(3) . . ?
C25 N8 Cd2 113.3(2) . . ?
C23 N8 Cd2 142.0(3) . . ?
C26 N9 C27 104.9(3) . . ?
C26 N9 H9 127.6 . . ?
C27 N9 H9 127.6 . . ?
C25 N10 C24 104.5(3) . . ?
C25 N10 H10A 127.8 . . ?
C24 N10 H10A 127.8 . . ?
C7 O1 Cd1 133.2(2) . . ?
C7 O1 Cd2 94.3(2) . . ?
Cd1 O1 Cd2 114.02(11) . . ?
C7 O2 Cd2 90.3(2) . . ?
C8 O4 Cd2 105.1(2) . 1_565 ?
C15 O5 Cd1 89.3(2) . 1_545 ?
C15 O6 Cd1 94.7(2) . 1_545 ?
C16 O7 Cd1 99.7(3) . . ?
C16 O8 Cd1 84.8(3) . . ?
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
Cd1 N3 2.289(3) . ?
Cd1 O7 2.296(3) . ?
Cd1 O1 2.317(3) . ?
Cd1 N4 2.372(3) . ?
Cd1 O6 2.378(3) 1_565 ?
Cd1 O5 2.508(3) 1_565 ?
Cd1 O8 2.627(3) . ?
Cd2 O4 2.181(3) 1_545 ?
Cd2 N8 2.292(3) . ?
Cd2 N7 2.314(3) . ?
Cd2 O1 2.371(3) . ?
Cd2 O2 2.465(3) . ?
C1 C6 1.388(6) . ?
C1 C2 1.401(5) . ?
C1 C7 1.483(6) . ?
C2 C3 1.377(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(6) . ?
C3 C8 1.521(5) . ?
C4 C5 1.401(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.353(6) . ?
C5 N1 1.472(5) . ?
C6 H6 0.9300 . ?
C7 O2 1.255(5) . ?
C7 O1 1.270(5) . ?
C8 O3 1.228(5) . ?
C8 O4 1.259(5) . ?
C9 C14 1.395(5) . ?
C9 C10 1.403(5) . ?
C9 C15 1.501(6) . ?
C10 C11 1.416(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.387(6) . ?
C11 C16 1.515(6) . ?
C12 C13 1.371(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.398(6) . ?
C13 N2 1.464(5) 2_656 ?
C14 H14 0.9300 . ?
C15 O5 1.242(5) . ?
C15 O6 1.266(5) . ?
C16 O8 1.216(5) . ?
C16 O7 1.249(5) . ?
C17 C18 1.362(6) . ?
C17 N4 1.370(5) . ?
C17 H17 0.9300 . ?
C18 N6 1.358(5) . ?
C18 H18 0.9300 . ?
C19 N4 1.337(5) . ?
C19 N6 1.374(5) . ?
C19 C20 1.433(5) . ?
C20 N3 1.315(5) . ?
C20 N5 1.335(5) . ?
C21 N5 1.370(5) . ?
C21 C22 1.383(6) . ?
C21 H21 0.9300 . ?
C22 N3 1.395(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.343(6) . ?
C23 N8 1.348(5) . ?
C23 H23 0.9300 . ?
C24 N10 1.398(5) . ?
C24 H24 0.9300 . ?
C25 N8 1.328(5) . ?
C25 N10 1.347(5) . ?
C25 C26 1.448(5) . ?
C26 N7 1.316(5) . ?
C26 N9 1.366(5) . ?
C27 C28 1.327(5) . ?
C27 N9 1.373(5) . ?
C27 H27 0.9300 . ?
C28 N7 1.385(5) . ?
C28 H28 0.9300 . ?
N1 N2 1.238(4) . ?
N2 C13 1.464(5) 2_656 ?
N5 H5 0.8600 . ?
N6 H6A 0.8600 . ?
N9 H9 0.8600 . ?
N10 H10A 0.8600 . ?
O4 Cd2 2.181(3) 1_565 ?
O5 Cd1 2.508(3) 1_545 ?
O6 Cd1 2.378(3) 1_545 ?
