#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:25:06 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180428 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/97/7209703.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_7209703
loop_
_publ_author_name
'Ding, Bin'
'Yang, Pan'
'Liu, Yuan Yuan'
'Wang, Ying'
'Du, Gui Xiang'
_publ_section_title
;
 Hydrothermal syntheses and characterization of a series of luminescent
 Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole
 ligands
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              2490
_journal_paper_doi               10.1039/c3ce26998a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C20 H22 Cd N12 O3, F6 Si, 3(H2O)'
_chemical_formula_sum            'C20 H16 Cd F6 N12 O6 Si'
_chemical_formula_weight         774.94
_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                101.322(3)
_cell_angle_beta                 97.130(3)
_cell_angle_gamma                92.066(3)
_cell_formula_units_Z            2
_cell_length_a                   7.5567(17)
_cell_length_b                   12.290(3)
_cell_length_c                   16.329(4)
_cell_measurement_reflns_used    1150
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.46
_cell_measurement_theta_min      2.77
_cell_volume                     1472.6(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0744
_diffrn_reflns_av_sigmaI/netI    0.1357
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10372
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    0.879
_exptl_absorpt_correction_T_max  0.9173
_exptl_absorpt_correction_T_min  0.8795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.668
_refine_diff_density_min         -0.812
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         5117
_refine_ls_number_restraints     839
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0736
_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)+(0.1009P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1722
_refine_ls_wR_factor_ref         0.2047
_reflns_number_gt                3144
_reflns_number_total             5117
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce26998a.txt
_cod_data_source_block           1
_cod_database_code               7209703
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
Si1 Si 0.5901(9) 0.1987(5) 0.6911(4) 0.0270(16) Uiso 0.372(3) 1 d PDU A 1
F1 F 0.4353(16) 0.1999(12) 0.7567(7) 0.043(6) Uiso 0.372(3) 1 d PDU A 1
F2 F 0.6821(18) 0.3185(8) 0.7506(8) 0.045(5) Uiso 0.372(3) 1 d PDU A 1
F3 F 0.4584(15) 0.2702(10) 0.6335(7) 0.058(4) Uiso 0.372(3) 1 d PDU A 1
F4 F 0.495(2) 0.0795(9) 0.6316(10) 0.089(12) Uiso 0.372(3) 1 d PDU A 1
F5 F 0.7435(15) 0.1997(11) 0.6256(7) 0.058(4) Uiso 0.372(3) 1 d PDU A 1
F6 F 0.7196(17) 0.1278(11) 0.7499(8) 0.075(5) Uiso 0.372(3) 1 d PDU A 1
O6 O 0.126(3) 0.1568(19) 0.5385(15) 0.077(7) Uiso 0.372(3) 1 d P A 1
Si11 Si 0.7002(10) 0.1887(6) 0.6925(5) 0.048(3) Uiso 0.343(6) 1 d PDU B 2
F11 F 0.5249(16) 0.1691(13) 0.7421(9) 0.068(6) Uiso 0.343(6) 1 d PDU B 2
F12 F 0.714(2) 0.3240(8) 0.7369(10) 0.081(10) Uiso 0.343(6) 1 d PDU B 2
F13 F 0.5650(19) 0.2131(14) 0.6097(8) 0.075(7) Uiso 0.343(6) 1 d PDU B 2
F14 F 0.686(2) 0.0529(9) 0.6491(10) 0.108(8) Uiso 0.343(6) 1 d PDU B 2
F15 F 0.8756(17) 0.2097(13) 0.6429(9) 0.075(6) Uiso 0.343(6) 1 d PDU B 2
F16 F 0.8386(17) 0.1638(12) 0.7742(7) 0.068(6) Uiso 0.343(6) 1 d PDU B 2
O16 O 0.166(2) 0.0603(15) 0.3792(12) 0.044(5) Uiso 0.343(6) 1 d P B 2
Si21 Si 0.4880(13) 0.2156(8) 0.6774(6) 0.062(4) Uiso 0.285(6) 1 d PDU C 3
F21 F 0.412(3) 0.193(2) 0.7649(10) 0.095(14) Uiso 0.285(6) 1 d PDU C 3
F22 F 0.473(3) 0.3523(10) 0.7090(13) 0.109(10) Uiso 0.285(6) 1 d PDU C 3
F23 F 0.2762(16) 0.2018(14) 0.6282(10) 0.060(6) Uiso 0.285(6) 1 d PDU C 3
F24 F 0.506(3) 0.0790(10) 0.6443(16) 0.11(2) Uiso 0.285(6) 1 d PDU C 3
F25 F 0.563(3) 0.239(2) 0.5898(10) 0.113(12) Uiso 0.285(6) 1 d PDU C 3
F26 F 0.6974(18) 0.2276(17) 0.7267(13) 0.096(9) Uiso 0.285(6) 1 d PDU C 3
O26 O 0.089(3) 0.1181(16) 0.4536(12) 0.028(5) Uiso 0.285(6) 1 d P C 3
C1 C 0.2013(10) 0.5708(7) 0.5767(5) 0.0238(19) Uani 1 1 d . . .
C2 C 0.1900(11) 0.6184(7) 0.5058(6) 0.034(2) Uani 1 1 d . . .
H2 H 0.1523 0.6917 0.5081 0.040 Uiso 1 1 calc R . .
C3 C 0.2348(12) 0.5564(7) 0.4315(6) 0.034(2) Uani 1 1 d . . .
H3 H 0.2308 0.5881 0.3828 0.041 Uiso 1 1 calc R . .
C4 C 0.2852(12) 0.4490(8) 0.4281(6) 0.037(2) Uani 1 1 d . . .
C5 C 0.2939(12) 0.4019(8) 0.4980(6) 0.038(2) Uani 1 1 d . . .
H5 H 0.3290 0.3279 0.4949 0.045 Uiso 1 1 calc R . .
C6 C 0.2516(12) 0.4625(7) 0.5729(6) 0.034(2) Uani 1 1 d . . .
H6 H 0.2568 0.4304 0.6215 0.041 Uiso 1 1 calc R . .
C7 C 0.0959(11) 0.5989(7) 0.7191(6) 0.030(2) Uani 1 1 d . . .
H7 H 0.0690 0.5231 0.7200 0.037 Uiso 1 1 calc R . .
C8 C 0.1830(10) 0.7473(6) 0.6806(5) 0.025(2) Uani 1 1 d . . .
H8 H 0.2297 0.7967 0.6495 0.030 Uiso 1 1 calc R . .
C9 C 0.3272(14) 0.2734(9) 0.3267(7) 0.054(3) Uani 1 1 d . . .
H9 H 0.2892 0.2214 0.3580 0.065 Uiso 1 1 calc R . .
C10 C 0.3940(12) 0.4269(9) 0.2853(6) 0.043(3) Uani 1 1 d . . .
H10 H 0.4110 0.5037 0.2850 0.052 Uiso 1 1 calc R . .
C11 C 0.4416(11) 0.6049(7) 1.0000(6) 0.034(2) Uani 1 1 d . . .
C12 C 0.5185(12) 0.5809(8) 1.0746(6) 0.038(2) Uani 1 1 d . . .
H12 H 0.5331 0.6361 1.1250 0.046 Uiso 1 1 calc R . .
C13 C 0.4246(12) 0.5266(8) 0.9245(6) 0.038(2) Uani 1 1 d . . .
H13 H 0.3753 0.5457 0.8732 0.046 Uiso 1 1 calc R . .
C14 C 0.3159(13) 0.7859(9) 1.0599(7) 0.046(3) Uani 1 1 d . . .
H14 H 0.3123 0.7749 1.1156 0.056 Uiso 1 1 calc R . .
C15 C 0.3649(13) 0.7637(8) 0.9326(6) 0.042(3) Uani 1 1 d . . .
H15 H 0.4036 0.7343 0.8800 0.051 Uiso 1 1 calc R . .
C16 C 0.0596(12) 1.3945(7) 0.9920(6) 0.032(2) Uani 1 1 d . . .
C17 C -0.0250(12) 1.4267(7) 0.9225(6) 0.033(2) Uani 1 1 d . . .
H17 H -0.0424 1.3764 0.8696 0.039 Uiso 1 1 calc R . .
C18 C 0.0852(12) 1.4673(7) 1.0706(6) 0.033(2) Uani 1 1 d . . .
H18 H 0.1434 1.4442 1.1187 0.040 Uiso 1 1 calc R . .
C19 C 0.1549(13) 1.2265(8) 1.0451(6) 0.041(3) Uani 1 1 d . . .
H19 H 0.1368 1.2522 1.1020 0.049 Uiso 1 1 calc R . .
C20 C 0.1623(13) 1.2170(8) 0.9151(6) 0.042(3) Uani 1 1 d . . .
H20 H 0.1516 1.2347 0.8607 0.051 Uiso 1 1 calc R . .
Cd1 Cd 0.19554(9) 0.95198(5) 0.84494(5) 0.0331(3) Uani 1 1 d . . .
N1 N 0.1335(9) 0.7775(5) 0.7554(5) 0.0272(17) Uani 1 1 d . . .
N2 N 0.0781(10) 0.6812(6) 0.7800(5) 0.037(2) Uani 1 1 d . . .
N3 N 0.1581(9) 0.6348(5) 0.6537(4) 0.0263(17) Uani 1 1 d . . .
N4 N 0.4266(12) 0.3476(9) 0.2256(6) 0.058(3) Uani 1 1 d . . .
N5 N 0.3860(13) 0.2490(9) 0.2523(6) 0.064(3) Uani 1 1 d . . .
N6 N 0.3310(9) 0.3853(6) 0.3501(5) 0.0335(19) Uani 1 1 d . . .
N7 N 0.2887(10) 0.8580(6) 0.9494(5) 0.041(2) Uani 1 1 d . . .
N8 N 0.2584(11) 0.8723(7) 1.0323(6) 0.047(2) Uani 1 1 d . . .
N9 N 0.3816(10) 0.7139(6) 0.9990(5) 0.0365(19) Uani 1 1 d . . .
N10 N 0.2147(11) 1.1232(6) 0.9320(5) 0.041(2) Uani 1 1 d . . .
N11 N 0.2109(11) 1.1301(6) 1.0168(5) 0.047(2) Uani 1 1 d . . .
N12 N 0.1253(9) 1.2859(6) 0.9851(5) 0.0289(18) Uani 1 1 d . . .
O1 O -0.1058(8) 0.9648(5) 0.8440(4) 0.0478(18) Uani 1 1 d . . .
O2 O 0.4785(10) 0.9566(7) 0.8081(7) 0.102(4) Uani 1 1 d . . .
O3 O 0.1376(14) 1.0292(7) 0.7268(5) 0.085(3) Uani 1 1 d . . .
O4 O 0.045(3) 0.3292(11) 0.7258(9) 0.057(6) Uiso 0.56(4) 1 d P D 3
O4' O 0.150(3) 0.3401(13) 0.7413(11) 0.043(7) Uiso 0.44(4) 1 d P D 4
O5 O 0.296(3) 0.8935(13) 0.5460(10) 0.059(7) Uiso 0.49(3) 1 d P E 5
O5' O 0.410(3) 0.8716(14) 0.5603(11) 0.071(7) Uiso 0.51(3) 1 d P E 6
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Si Si 0.0817 0.0704 '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'
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
F2 Si1 F4 179.2(7) . .
F2 Si1 F6 90.3(5) . .
F4 Si1 F6 90.3(6) . .
F2 Si1 F3 89.5(5) . .
F4 Si1 F3 89.9(6) . .
F6 Si1 F3 179.1(6) . .
F2 Si1 F5 90.4(5) . .
F4 Si1 F5 90.1(6) . .
F6 Si1 F5 91.3(5) . .
F3 Si1 F5 89.7(5) . .
F2 Si1 F1 89.1(5) . .
F4 Si1 F1 90.4(5) . .
F6 Si1 F1 89.5(5) . .
F3 Si1 F1 89.6(5) . .
F5 Si1 F1 179.0(6) . .
F11 Si11 F13 90.8(6) . .
F11 Si11 F12 89.8(6) . .
F13 Si11 F12 90.4(6) . .
F11 Si11 F15 179.4(6) . .
F13 Si11 F15 89.0(6) . .
F12 Si11 F15 89.6(6) . .
F11 Si11 F14 89.7(6) . .
F13 Si11 F14 90.1(6) . .
F12 Si11 F14 179.3(7) . .
F15 Si11 F14 90.8(6) . .
F11 Si11 F16 90.2(6) . .
F13 Si11 F16 179.0(7) . .
F12 Si11 F16 89.9(6) . .
F15 Si11 F16 90.0(6) . .
F14 Si11 F16 89.5(6) . .
F25 Si21 F22 89.4(6) . .
F25 Si21 F26 90.3(6) . .
F22 Si21 F26 89.6(6) . .
F25 Si21 F21 179.6(8) . .
F22 Si21 F21 90.4(6) . .
F26 Si21 F21 90.0(6) . .
F25 Si21 F24 89.5(6) . .
F22 Si21 F24 178.8(7) . .
F26 Si21 F24 90.1(6) . .
F21 Si21 F24 90.8(6) . .
F25 Si21 F23 90.3(6) . .
F22 Si21 F23 91.0(6) . .
F26 Si21 F23 179.1(7) . .
F21 Si21 F23 89.4(6) . .
F24 Si21 F23 89.3(6) . .
C6 C1 C2 120.9(8) . .
C6 C1 N3 120.3(8) . .
C2 C1 N3 118.9(7) . .
C3 C2 C1 118.6(9) . .
C3 C2 H2 120.7 . .
C1 C2 H2 120.7 . .
C4 C3 C2 120.3(9) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C5 C4 C3 120.9(8) . .
C5 C4 N6 119.4(8) . .
C3 C4 N6 119.7(9) . .
C4 C5 C6 119.8(9) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C5 C6 C1 119.6(9) . .
C5 C6 H6 120.2 . .
C1 C6 H6 120.2 . .
N2 C7 N3 111.4(8) . .
N2 C7 H7 124.3 . .
N3 C7 H7 124.3 . .
N1 C8 N3 110.5(7) . .
N1 C8 H8 124.8 . .
N3 C8 H8 124.8 . .
N5 C9 N6 107.9(11) . .
N5 C9 H9 126.1 . .
N6 C9 H9 126.1 . .
N4 C10 N6 111.3(10) . .
N4 C10 H10 124.4 . .
N6 C10 H10 124.4 . .
C12 C11 C13 121.6(9) . .
C12 C11 N9 119.3(8) . .
C13 C11 N9 119.0(9) . .
C11 C12 C13 119.1(9) . 2_667
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 2_667 .
C11 C13 C12 119.2(9) . 2_667
C11 C13 H13 120.4 . .
C12 C13 H13 120.4 2_667 .
N8 C14 N9 111.3(10) . .
N8 C14 H14 124.4 . .
N9 C14 H14 124.4 . .
N7 C15 N9 111.5(9) . .
N7 C15 H15 124.3 . .
N9 C15 H15 124.3 . .
C17 C16 C18 120.8(8) . .
C17 C16 N12 120.2(8) . .
C18 C16 N12 119.0(9) . .
C16 C17 C18 119.9(8) . 2_587
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 2_587 .
C17 C18 C16 119.3(9) 2_587 .
C17 C18 H18 120.3 2_587 .
C16 C18 H18 120.3 . .
N11 C19 N12 112.2(9) . .
N11 C19 H19 123.9 . .
N12 C19 H19 123.9 . .
N10 C20 N12 111.0(9) . .
N10 C20 H20 124.5 . .
N12 C20 H20 124.5 . .
N10 Cd1 O1 84.3(3) . .
N10 Cd1 O2 97.9(3) . .
O1 Cd1 O2 162.7(4) . .
N10 Cd1 N7 95.3(3) . .
O1 Cd1 N7 106.4(3) . .
O2 Cd1 N7 90.6(4) . .
N10 Cd1 O3 91.5(3) . .
O1 Cd1 O3 81.6(3) . .
O2 Cd1 O3 81.1(4) . .
N7 Cd1 O3 169.9(3) . .
N10 Cd1 N1 172.1(3) . .
O1 Cd1 N1 87.8(2) . .
O2 Cd1 N1 89.6(3) . .
N7 Cd1 N1 86.8(3) . .
O3 Cd1 N1 87.5(3) . .
C8 N1 N2 107.1(6) . .
C8 N1 Cd1 126.1(6) . .
N2 N1 Cd1 125.1(5) . .
C7 N2 N1 106.8(7) . .
C7 N3 C8 104.1(7) . .
C7 N3 C1 128.8(7) . .
C8 N3 C1 126.9(7) . .
C10 N4 N5 105.4(9) . .
C9 N5 N4 109.5(9) . .
C9 N6 C10 106.0(8) . .
C9 N6 C4 127.1(9) . .
C10 N6 C4 126.9(8) . .
C15 N7 N8 106.4(8) . .
C15 N7 Cd1 121.2(7) . .
N8 N7 Cd1 131.7(6) . .
C14 N8 N7 106.8(8) . .
C15 N9 C14 104.0(8) . .
C15 N9 C11 126.3(8) . .
C14 N9 C11 129.5(9) . .
C20 N10 N11 106.6(7) . .
C20 N10 Cd1 128.9(7) . .
N11 N10 Cd1 119.2(6) . .
C19 N11 N10 106.4(8) . .
C19 N12 C20 103.8(8) . .
C19 N12 C16 128.2(7) . .
C20 N12 C16 127.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 F2 1.671(7) .
Si1 F4 1.672(8) .
Si1 F6 1.672(8) .
Si1 F3 1.674(8) .
Si1 F5 1.674(8) .
Si1 F1 1.680(8) .
Si11 F11 1.671(8) .
Si11 F13 1.672(8) .
Si11 F12 1.672(8) .
Si11 F15 1.673(8) .
Si11 F14 1.674(8) .
Si11 F16 1.675(8) .
Si21 F25 1.670(8) .
Si21 F22 1.671(8) .
Si21 F26 1.671(8) .
Si21 F21 1.672(8) .
Si21 F24 1.675(8) .
Si21 F23 1.686(8) .
C1 C6 1.389(11) .
C1 C2 1.392(12) .
C1 N3 1.427(10) .
C2 C3 1.387(11) .
C2 H2 0.9500 .
C3 C4 1.380(12) .
C3 H3 0.9500 .
C4 C5 1.374(13) .
C4 N6 1.445(11) .
C5 C6 1.383(11) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 N2 1.297(10) .
C7 N3 1.360(11) .
C7 H7 0.9500 .
C8 N1 1.309(10) .
C8 N3 1.365(10) .
C8 H8 0.9500 .
C9 N5 1.329(13) .
C9 N6 1.352(12) .
C9 H9 0.9500 .
C10 N4 1.291(12) .
C10 N6 1.388(12) .
C10 H10 0.9500 .
C11 C12 1.374(13) .
C11 C13 1.396(12) .
C11 N9 1.431(11) .
C12 C13 1.406(12) 2_667
C12 H12 0.9500 .
C13 C12 1.406(12) 2_667
C13 H13 0.9500 .
C14 N8 1.301(13) .
C14 N9 1.351(11) .
C14 H14 0.9500 .
C15 N7 1.309(11) .
C15 N9 1.342(12) .
C15 H15 0.9500 .
C16 C17 1.366(13) .
C16 C18 1.400(12) .
C16 N12 1.430(11) .
C17 C18 1.383(12) 2_587
C17 H17 0.9500 .
C18 C17 1.383(12) 2_587
C18 H18 0.9500 .
C19 N11 1.291(11) .
C19 N12 1.335(12) .
C19 H19 0.9500 .
C20 N10 1.302(12) .
C20 N12 1.348(11) .
C20 H20 0.9500 .
Cd1 N10 2.285(7) .
Cd1 O1 2.287(6) .
Cd1 O2 2.294(7) .
Cd1 N7 2.297(8) .
Cd1 O3 2.314(8) .
Cd1 N1 2.342(7) .
N1 N2 1.389(10) .
N4 N5 1.403(13) .
N7 N8 1.378(11) .
N10 N11 1.374(11) .
