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#$Date: 2016-03-23 22:57:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179497 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/94/4339453.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_4339453
loop_
_publ_author_name
'Muñoz, M Carmen'
'Gaspar, Ana B.'
'Galet, Ana'
'Real, José A'
_publ_section_title
;
 Spin-crossover behavior in cyanide-bridged iron(II)-silver(I) bimetallic
 2D Hofmann-like metal-organic frameworks.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8182
_journal_page_last               8192
_journal_paper_doi               10.1021/ic700607x
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C48 H32 Ag4 Fe2 I8 N16'
_chemical_formula_weight         2391.28
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_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                 112.5781(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.5780(2)
_cell_length_b                   13.5570(2)
_cell_length_c                   16.7680(3)
_cell_measurement_temperature    270(2)
_cell_volume                     3269.84(9)
_computing_cell_refinement       'HKL DENZO'
_computing_data_collection       COLLECT
_computing_data_reduction        'HKL DENZO and SCALEPACK'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      270(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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0420
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14021
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    5.428
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.359
_refine_diff_density_min         -2.600
_refine_diff_density_rms         0.397
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.300
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         14021
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.317
_refine_ls_R_factor_all          0.1177
_refine_ls_R_factor_gt           0.0999
_refine_ls_shift/su_max          0.059
_refine_ls_shift/su_mean         0.040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2954
_refine_ls_wR_factor_ref         0.3149
_reflns_number_gt                11331
_reflns_number_total             14021
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700607x-file002.cif
_cod_data_source_block           6_(270_K)
_cod_original_sg_symbol_H-M      P21
_cod_database_code               4339453
loop_
_symmetry_equiv_pos_as_xyz
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
FeA Fe 0.74905(12) 0.26392(15) 1.50114(13) 0.0199(4) Uani 1 1 d .
FeB Fe 0.74819(12) 0.26534(15) 0.99883(13) 0.0201(4) Uani 1 1 d .
Ag2A Ag 0.45854(8) 0.05141(10) 1.46879(9) 0.0420(3) Uani 1 1 d .
Ag1A Ag 0.97893(9) 0.00533(11) 1.46667(10) 0.0473(4) Uani 1 1 d .
Ag2B Ag 0.52341(9) 0.55728(10) 0.98152(9) 0.0464(3) Uani 1 1 d .
Ag1B Ag 1.00110(9) 0.00095(10) 1.03063(10) 0.0466(3) Uani 1 1 d .
I1A I 0.87457(11) -0.03091(14) 1.79013(12) 0.0765(5) Uani 1 1 d .
I2A I 0.62523(12) 0.56610(17) 1.22083(13) 0.0896(7) Uani 1 1 d .
I3A I 0.10930(10) 0.23806(13) 1.52487(12) 0.0700(5) Uani 1 1 d .
I1B I 0.91098(12) 0.55536(17) 1.28539(14) 0.1009(8) Uani 1 1 d .
I2B I 0.58906(12) -0.02436(17) 0.71050(14) 0.0917(7) Uani 1 1 d .
I3B I 0.89493(9) 0.74218(12) 0.97338(11) 0.0622(4) Uani 1 1 d .
N1B N 0.8152(7) 0.2955(7) 1.1291(5) 0.034(3) Uiso 1 1 d G
C1B C 0.8322(10) 0.2172(6) 1.1866(8) 0.046(4) Uiso 1 1 d G
C2B C 0.8717(13) 0.2345(9) 1.2750(7) 0.118(13) Uiso 1 1 d G
C3B C 0.8943(11) 0.3301(11) 1.3059(5) 0.075(6) Uiso 1 1 d G
C4B C 0.8772(9) 0.4084(8) 1.2484(7) 0.046(4) Uiso 1 1 d G
C5B C 0.8377(8) 0.3911(6) 1.1600(7) 0.050(4) Uiso 1 1 d G
N1A N 0.8074(6) 0.2302(6) 1.6300(4) 0.025(2) Uiso 1 1 d G
C1A C 0.8376(8) 0.3086(5) 1.6875(6) 0.041(4) Uiso 1 1 d G
C2A C 0.8767(9) 0.2909(7) 1.7759(6) 0.067(6) Uiso 1 1 d G
C3A C 0.8858(9) 0.1947(9) 1.8068(4) 0.052(4) Uiso 1 1 d G
C4A C 0.8556(9) 0.1163(6) 1.7493(6) 0.048(4) Uiso 1 1 d G
C5A C 0.8165(7) 0.1340(6) 1.6609(6) 0.039(3) Uiso 1 1 d G
N2A N 0.6888(7) 0.3004(7) 1.3715(5) 0.039(3) Uiso 1 1 d G
C6A C 0.6623(9) 0.2246(6) 1.3110(7) 0.040(3) Uiso 1 1 d G
C7A C 0.6264(11) 0.2466(9) 1.2233(6) 0.082(8) Uiso 1 1 d G
C8A C 0.6170(11) 0.3443(10) 1.1961(5) 0.069(6) Uiso 1 1 d G
C9A C 0.6435(9) 0.4200(7) 1.2566(7) 0.051(4) Uiso 1 1 d G
C10A C 0.6794(8) 0.3981(6) 1.3443(6) 0.037(3) Uiso 1 1 d G
N7A N 0.3733(7) 0.1968(8) 1.4995(8) 0.057(4) Uiso 1 1 d G
C15A C 0.4045(7) 0.2920(10) 1.4953(9) 0.049(4) Uiso 1 1 d G
C16A C 0.3509(10) 0.3726(7) 1.4988(11) 0.102(10) Uiso 1 1 d G
C17A C 0.2661(9) 0.3580(8) 1.5066(10) 0.058(5) Uiso 1 1 d G
C18A C 0.2349(7) 0.2629(9) 1.5108(8) 0.047(4) Uiso 1 1 d G
C19A C 0.2885(8) 0.1823(7) 1.5073(9) 0.044(4) Uiso 1 1 d G
N7B N 0.6299(8) 0.7001(9) 0.9945(9) 0.064(5) Uiso 1 1 d G
C15B C 0.5943(8) 0.7946(10) 0.9916(10) 0.056(5) Uiso 1 1 d G
C16B C 0.6453(11) 0.8760(8) 0.9847(12) 0.082(7) Uiso 1 1 d G
C17B C 0.7320(10) 0.8628(8) 0.9806(11) 0.075(7) Uiso 1 1 d G
C18B C 0.7677(7) 0.7683(10) 0.9835(9) 0.049(4) Uiso 1 1 d G
C19B C 0.7167(8) 0.6870(8) 0.9904(10) 0.051(4) Uiso 1 1 d G
N4A N 0.6421(9) 0.1690(10) 1.4844(8) 0.034(3) Uiso 1 1 d .
N3A N 0.8239(8) 0.1572(10) 1.4755(8) 0.031(3) Uiso 1 1 d .
N5A N 0.6775(9) 0.3748(11) 1.5262(9) 0.038(3) Uiso 1 1 d .
N6A N 1.1496(8) -0.1431(9) 1.4863(8) 0.027(2) Uiso 1 1 d .
N5B N 0.6613(9) 0.3794(10) 0.9872(9) 0.036(3) Uiso 1 1 d .
N3B N 0.8356(10) 0.1513(11) 1.0141(10) 0.042(3) Uiso 1 1 d .
N6B N 0.8373(8) 0.3580(9) 0.9768(8) 0.030(3) Uiso 1 1 d .
N4B N 0.3445(9) 0.6744(11) 0.9749(9) 0.039(3) Uiso 1 1 d .
C12A C 0.5787(10) 0.1297(11) 1.4763(10) 0.031(3) Uiso 1 1 d .
C11A C 0.8768(10) 0.1016(12) 1.4703(10) 0.034(3) Uiso 1 1 d .
C13A C 0.6322(12) 0.4370(13) 1.5369(11) 0.043(4) Uiso 1 1 d .
C14A C 1.0847(12) -0.0792(14) 1.4791(12) 0.045(4) Uiso 1 1 d .
C13B C 0.6153(11) 0.4397(12) 0.9838(11) 0.039(3) Uiso 1 1 d .
C11B C 0.8951(11) 0.0914(13) 1.0202(11) 0.038(3) Uiso 1 1 d .
C14B C 0.8915(11) 0.4121(13) 0.9707(11) 0.038(3) Uiso 1 1 d .
C12B C 0.4029(9) 0.6327(11) 0.9745(9) 0.029(3) Uiso 1 1 d .
N8B N 0.1358(11) 0.2021(12) 0.2929(18) 0.23(3) Uiso 1 1 d GD
C20B C 0.0874(6) 0.1136(12) 0.2709(9) 0.047(4) Uiso 1 1 d GD
C21B C 0.1256(9) 0.0341(11) 0.2437(15) 0.132(14) Uiso 1 1 d GD
C22B C 0.2121(9) 0.0431(9) 0.2384(14) 0.083(8) Uiso 1 1 d GD
C23B C 0.2605(5) 0.1317(8) 0.2604(6) 0.052(4) Uiso 1 1 d GD
C24B C 0.2223(10) 0.2112(10) 0.2876(17) 2.0(7) Uiso 1 1 d GD
I4B I 0.3883(2) 0.1455(3) 0.2532(2) 0.1379(12) Uani 1 1 d D
N8A N 0.8344(18) 0.0639(10) 1.262(4) 0.68(11) Uiso 1 1 d GD
C20A C 0.9020(11) 0.0032(8) 1.253(2) 0.25(4) Uiso 1 1 d GD
C21A C 0.8848(4) -0.0970(6) 1.2370(5) 0.0000(15) Uiso 1 1 d GD
C22A C 0.8001(6) -0.1366(6) 1.2306(10) 0.24(4) Uiso 1 1 d GD
C23A C 0.7325(5) -0.0759(8) 1.2397(10) 0.22(3) Uiso 1 1 d GD
C24A C 0.7496(14) 0.0243(10) 1.255(3) 1.9(5) Uiso 1 1 d GD
I4A I 0.6044(2) -0.1266(4) 1.2311(3) 0.1620(15) Uani 1 1 d D
N2B N 0.6851(6) 0.2335(7) 0.8689(5) 0.033(3) Uiso 1 1 d G
C6B C 0.6611(8) 0.3123(6) 0.8114(7) 0.041(4) Uiso 1 1 d G
C7B C 0.6172(10) 0.2951(8) 0.7232(6) 0.070(6) Uiso 1 1 d G
C8B C 0.5972(10) 0.1991(10) 0.6925(5) 0.059(5) Uiso 1 1 d G
C9B C 0.6212(10) 0.1203(7) 0.7500(7) 0.059(5) Uiso 1 1 d G
C10B C 0.6651(8) 0.1376(6) 0.8382(6) 0.042(4) Uiso 1 1 d G
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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
N5A FeA N6A 89.1(5) . 2_758
N5A FeA N4A 90.6(5) . .
N6A FeA N4A 178.3(6) 2_758 .
N5A FeA N3A 177.8(6) . .
N6A FeA N3A 88.7(5) 2_758 .
N4A FeA N3A 91.5(5) . .
N5A FeA N2A 88.7(5) . .
N6A FeA N2A 88.9(4) 2_758 .
N4A FeA N2A 89.4(5) . .
N3A FeA N2A 90.8(5) . .
N5A FeA N1A 90.2(5) . .
N6A FeA N1A 91.0(4) 2_758 .
N4A FeA N1A 90.8(5) . .
N3A FeA N1A 90.3(4) . .
N2A FeA N1A 178.9(4) . .
N5B FeB N3B 178.3(6) . .
N5B FeB N6B 89.3(5) . .
N3B FeB N6B 91.3(6) . .
N5B FeB N4B 88.8(6) . 2_647
N3B FeB N4B 90.5(6) . 2_647
N6B FeB N4B 177.5(6) . 2_647
N5B FeB N1B 89.9(5) . .
N3B FeB N1B 88.6(5) . .
N6B FeB N1B 88.1(5) . .
N4B FeB N1B 90.2(5) 2_647 .
N5B FeB N2B 91.6(5) . .
N3B FeB N2B 89.9(5) . .
N6B FeB N2B 91.1(5) . .
N4B FeB N2B 90.7(5) 2_647 .
N1B FeB N2B 178.3(4) . .
C13A Ag2A C12A 161.8(6) 2_648 .
C13A Ag2A N7A 100.9(5) 2_648 .
C12A Ag2A N7A 96.8(5) . .
C14A Ag1A C11A 172.3(7) . .
C12B Ag2B C13B 160.7(6) . .
C12B Ag2B N7B 100.2(5) . .
C13B Ag2B N7B 99.1(5) . .
C11B Ag1B C14B 174.4(7) . 2_747
C1B N1B C5B 120.0 . .
C1B N1B FeB 117.8(6) . .
C5B N1B FeB 122.1(6) . .
N1B C1B C2B 120.0 . .
C1B C2B C3B 120.0 . .
C2B C3B C4B 120.0 . .
C5B C4B C3B 120.0 . .
C5B C4B I1B 115.8(7) . .
C3B C4B I1B 124.2(7) . .
C4B C5B N1B 120.0 . .
C1A N1A C5A 120.0 . .
C1A N1A FeA 117.1(5) . .
C5A N1A FeA 122.9(5) . .
N1A C1A C2A 120.0 . .
C3A C2A C1A 120.0 . .
C2A C3A C4A 120.0 . .
C5A C4A C3A 120.0 . .
C5A C4A I1A 117.6(6) . .
C3A C4A I1A 122.3(6) . .
C4A C5A N1A 120.0 . .
C6A N2A C10A 120.0 . .
C6A N2A FeA 118.5(5) . .
C10A N2A FeA 121.4(5) . .
C7A C6A N2A 120.0 . .
C6A C7A C8A 120.0 . .
C9A C8A C7A 120.0 . .
C10A C9A C8A 120.0 . .
C10A C9A I2A 117.9(6) . .
C8A C9A I2A 122.0(6) . .
C9A C10A N2A 120.0 . .
C15A N7A C19A 120.0 . .
C15A N7A Ag2A 119.4(6) . .
C19A N7A Ag2A 119.9(6) . .
C16A C15A N7A 120.0 . .
C15A C16A C17A 120.0 . .
C18A C17A C16A 120.0 . .
C17A C18A C19A 120.0 . .
C17A C18A I3A 121.1(6) . .
C19A C18A I3A 118.9(6) . .
C18A C19A N7A 120.0 . .
C15B N7B C19B 120.0 . .
C15B N7B Ag2B 117.8(6) . .
C19B N7B Ag2B 121.4(6) . .
C16B C15B N7B 120.0 . .
C15B C16B C17B 120.0 . .
C18B C17B C16B 120.0 . .
C17B C18B C19B 120.0 . .
C17B C18B I3B 122.3(7) . .
C19B C18B I3B 117.7(7) . .
C18B C19B N7B 120.0 . .
C12A N4A FeA 170.2(13) . .
C11A N3A FeA 170.4(13) . .
C13A N5A FeA 176.4(14) . .
C14A N6A FeA 178.0(12) . 2_748
C13B N5B FeB 177.6(14) . .
C11B N3B FeB 171.5(14) . .
C14B N6B FeB 174.9(13) . .
C12B N4B FeB 167.7(14) . 2_657
N4A C12A Ag2A 176.5(14) . .
N3A C11A Ag1A 176.6(14) . .
N5A C13A Ag2A 169.3(16) . 2_658
N6A C14A Ag1A 174.2(14) . .
N5B C13B Ag2B 177.7(15) . .
N3B C11B Ag1B 175.3(14) . .
N6B C14B Ag1B 174.2(14) . 2_757
N4B C12B Ag2B 175.8(14) . .
C20B N8B C24B 120.0 . .
C21B C20B N8B 120.0 . .
C20B C21B C22B 120.0 . .
C23B C22B C21B 120.0 . .
C22B C23B C24B 120.0 . .
C22B C23B I4B 120.2(5) . .
C24B C23B I4B 119.8(5) . .
C23B C24B N8B 120.0 . .
C23B C24B I4B 36.5(3) . .
N8B C24B I4B 156.5(3) . .
C23B I4B C24B 23.78(18) . .
C20A N8A C24A 120.0 . .
C21A C20A N8A 120.0 . .
C22A C21A C20A 120.0 . .
C21A C22A C23A 120.0 . .
C24A C23A C22A 120.0 . .
C24A C23A I4A 116.7(5) . .
C22A C23A I4A 123.3(5) . .
C23A C24A N8A 120.0 . .
C23A C24A I4A 38.5(3) . .
N8A C24A I4A 158.5(3) . .
C23A I4A C24A 24.80(18) . .
C6B N2B C10B 120.0 . .
C6B N2B FeB 117.7(5) . .
C10B N2B FeB 122.3(5) . .
C7B C6B N2B 120.0 . .
C6B C7B C8B 120.0 . .
C9B C8B C7B 120.0 . .
C8B C9B C10B 120.0 . .
C8B C9B I2B 122.6(6) . .
C10B C9B I2B 117.4(6) . .
C9B C10B N2B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
FeA N5A 2.010(14) .
FeA N6A 1.968(12) 2_758
FeA N4A 2.037(13) .
FeA N3A 2.006(13) .
FeA N2A 2.070(8) .
FeA N1A 2.048(7) .
FeB N5B 2.015(14) .
FeB N3B 2.011(15) .
FeB N6B 2.008(13) .
FeB N4B 2.070(14) 2_647
FeB N1B 2.067(8) .
FeB N2B 2.063(8) .
Ag2A C13A 2.077(18) 2_648
Ag2A C12A 2.113(15) .
Ag2A N7A 2.538(9) .
Ag1A C14A 1.952(18) .
Ag1A C11A 2.077(15) .
Ag2B C12B 2.100(14) .
Ag2B C13B 2.133(16) .
Ag2B N7B 2.505(10) .
Ag1B C11B 2.009(16) .
Ag1B C14B 2.069(16) 2_747
I1A C4A 2.093(8) .
I2A C9A 2.057(9) .
I3A C18A 2.086(9) .
I1B C4B 2.093(9) .
I2B C9B 2.069(9) .
I3B C18B 2.084(9) .
N1B C1B 1.3900 .
N1B C5B 1.3900 .
C1B C2B 1.3900 .
C2B C3B 1.3900 .
C3B C4B 1.3900 .
C4B C5B 1.3900 .
N1A C1A 1.3900 .
N1A C5A 1.3900 .
C1A C2A 1.3900 .
C2A C3A 1.3900 .
C3A C4A 1.3900 .
C4A C5A 1.3900 .
N2A C6A 1.3900 .
N2A C10A 1.3900 .
C6A C7A 1.3900 .
C7A C8A 1.3900 .
C8A C9A 1.3900 .
C9A C10A 1.3900 .
N7A C15A 1.3900 .
N7A C19A 1.3900 .
C15A C16A 1.3900 .
C16A C17A 1.3900 .
C17A C18A 1.3900 .
C18A C19A 1.3900 .
N7B C15B 1.3900 .
N7B C19B 1.3900 .
C15B C16B 1.3900 .
C16B C17B 1.3900 .
C17B C18B 1.3900 .
C18B C19B 1.3900 .
N4A C12A 1.084(19) .
N3A C11A 1.14(2) .
N5A C13A 1.16(2) .
N6A C14A 1.30(2) .
N6A FeA 1.968(12) 2_748
N5B C13B 1.07(2) .
N3B C11B 1.21(2) .
N6B C14B 1.15(2) .
N4B C12B 1.074(19) .
N4B FeB 2.070(14) 2_657
C13A Ag2A 2.077(18) 2_658
C14B Ag1B 2.069(16) 2_757
N8B C20B 1.3900 .
N8B C24B 1.3900 .
C20B C21B 1.3900 .
C21B C22B 1.3900 .
C22B C23B 1.3900 .
C23B C24B 1.3900 .
C23B I4B 2.049(6) .
C24B I4B 2.993(9) .
N8A C20A 1.3900 .
N8A C24A 1.3900 .
C20A C21A 1.3900 .
C21A C22A 1.3900 .
C22A C23A 1.3900 .
C23A C24A 1.3900 .
C23A I4A 2.061(5) .
C24A I4A 2.960(9) .
N2B C6B 1.3900 .
N2B C10B 1.3900 .
C6B C7B 1.3900 .
C7B C8B 1.3900 .
C8B C9B 1.3900 .
C9B C10B 1.3900 .
