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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/4/33/94/4339454.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_4339454
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                 112.5030(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.3630(4)
_cell_length_b                   13.4180(3)
_cell_length_c                   16.6060(5)
_cell_measurement_temperature    200(2)
_cell_volume                     3162.53(15)
_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      200(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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    0.0964
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13737
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    5.612
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.511
_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         2.714
_refine_diff_density_min         -3.498
_refine_diff_density_rms         0.428
_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   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         13737
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.1411
_refine_ls_R_factor_gt           0.0984
_refine_ls_shift/su_max          0.085
_refine_ls_shift/su_mean         0.065
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1845P)²+30.3463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2769
_refine_ls_wR_factor_ref         0.3117
_reflns_number_gt                9334
_reflns_number_total             13737
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700607x-file002.cif
_cod_data_source_block           6_(200_K)
_cod_original_cell_volume        3162.53(14)
_cod_original_sg_symbol_H-M      P21
_cod_database_code               4339454
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 0.7496(2) 0.2650(2) 1.5014(2) 0.0158(5) Uani 1 1 d D
FeB Fe 0.7484(2) 0.2652(2) 0.99995(19) 0.0149(5) Uani 1 1 d .
Ag2A Ag 0.45937(11) 0.05168(14) 1.47103(11) 0.0313(4) Uani 1 1 d .
Ag1A Ag 0.98059(12) 0.00799(13) 1.46776(12) 0.0322(4) Uani 1 1 d .
Ag2B Ag 0.52222(11) 0.55495(13) 0.98135(11) 0.0317(4) Uani 1 1 d .
Ag1B Ag 1.00136(12) 0.00069(12) 1.03009(12) 0.0310(4) Uani 1 1 d .
I1A I 0.87657(13) -0.02997(16) 1.78989(14) 0.0559(6) Uani 1 1 d .
I2A I 0.62267(13) 0.5633(2) 1.21945(15) 0.0679(7) Uani 1 1 d .
I3A I 0.10580(13) 0.24077(16) 1.52706(13) 0.0495(5) Uani 1 1 d .
I1B I 0.90906(14) 0.55319(19) 1.28635(16) 0.0705(7) Uani 1 1 d .
I2B I 0.59058(14) -0.02336(18) 0.71027(15) 0.0661(7) Uani 1 1 d .
I3B I 0.89737(11) 0.74110(14) 0.96950(12) 0.0411(4) Uani 1 1 d .
N1B N 0.8120(8) 0.2936(9) 1.1255(6) 0.018(3) Uiso 1 1 d G
C1B C 0.8323(11) 0.2139(7) 1.1832(9) 0.022(4) Uiso 1 1 d G
C2B C 0.8724(14) 0.2310(11) 1.2725(8) 0.063(9) Uiso 1 1 d G
C3B C 0.8921(13) 0.3278(13) 1.3041(6) 0.056(8) Uiso 1 1 d G
C4B C 0.8718(12) 0.4075(9) 1.2464(9) 0.038(6) Uiso 1 1 d G
C5B C 0.8317(11) 0.3904(8) 1.1570(8) 0.037(6) Uiso 1 1 d G
N1A N 0.8090(9) 0.2333(10) 1.6291(6) 0.021(3) Uiso 1 1 d G
C5A C 0.8160(11) 0.1356(8) 1.6587(8) 0.035(5) Uiso 1 1 d G
C4A C 0.8541(12) 0.1157(8) 1.7476(9) 0.045(6) Uiso 1 1 d G
C3A C 0.8852(11) 0.1936(11) 1.8070(6) 0.037(6) Uiso 1 1 d G
C2A C 0.8783(12) 0.2914(10) 1.7774(7) 0.040(6) Uiso 1 1 d G
C1A C 0.8401(11) 0.3112(8) 1.6885(8) 0.037(6) Uiso 1 1 d G
N2A N 0.6905(9) 0.2978(9) 1.3745(6) 0.027(4) Uiso 1 1 d G
C10A C 0.6793(11) 0.3960(8) 1.3457(8) 0.031(5) Uiso 1 1 d G
C9A C 0.6426(13) 0.4166(8) 1.2569(9) 0.048(7) Uiso 1 1 d G
C8A C 0.6171(12) 0.3389(11) 1.1969(6) 0.042(6) Uiso 1 1 d G
C7A C 0.6283(12) 0.2407(10) 1.2258(7) 0.043(6) Uiso 1 1 d G
C6A C 0.6650(10) 0.2201(7) 1.3146(8) 0.019(4) Uiso 1 1 d G
N7A N 0.3750(10) 0.1965(11) 1.5048(11) 0.045(5) Uiso 1 1 d G
C15A C 0.4075(10) 0.2919(14) 1.4992(13) 0.056(8) Uiso 1 1 d G
C16A C 0.3536(14) 0.3744(10) 1.5012(15) 0.066(9) Uiso 1 1 d G
C17A C 0.2673(13) 0.3614(11) 1.5087(14) 0.056(8) Uiso 1 1 d G
C18A C 0.2349(9) 0.2660(13) 1.5143(12) 0.038(6) Uiso 1 1 d G
C19A C 0.2887(11) 0.1835(10) 1.5124(12) 0.040(6) Uiso 1 1 d G
N7B N 0.6327(10) 0.6984(11) 0.9958(11) 0.048(6) Uiso 1 1 d G
C19B C 0.7184(11) 0.6842(9) 0.9873(12) 0.039(6) Uiso 1 1 d G
C18B C 0.7687(9) 0.7657(12) 0.9763(11) 0.034(5) Uiso 1 1 d G
C17B C 0.7332(13) 0.8614(10) 0.9739(13) 0.053(7) Uiso 1 1 d G
C16B C 0.6475(14) 0.8757(10) 0.9824(15) 0.085(12) Uiso 1 1 d G
C15B C 0.5973(10) 0.7942(14) 0.9934(12) 0.046(7) Uiso 1 1 d G
N6B N 0.8354(11) 0.3538(12) 0.9792(10) 0.015(3) Uiso 1 1 d .
N5B N 0.6593(11) 0.3757(13) 0.9839(11) 0.020(4) Uiso 1 1 d .
N4A N 0.6490(12) 0.1738(13) 1.4891(11) 0.021(4) Uiso 1 1 d .
N3B N 0.8349(12) 0.1561(13) 1.0122(11) 0.023(4) Uiso 1 1 d .
N6A N 1.1500(10) -0.1410(12) 1.4861(10) 0.014(3) Uiso 1 1 d .
C11B C 0.8949(14) 0.0976(16) 1.0230(13) 0.022(4) Uiso 1 1 d .
N5A N 0.6753(11) 0.3699(11) 1.5234(12) 0.030(4) Uiso 1 1 d D
N4B N 0.3418(12) 0.6762(13) 0.9798(11) 0.023(4) Uiso 1 1 d .
C14A C 1.0891(15) -0.0863(18) 1.4745(15) 0.029(5) Uiso 1 1 d .
C14B C 0.8924(15) 0.4094(18) 0.9724(14) 0.028(5) Uiso 1 1 d .
C11A C 0.8775(15) 0.1083(17) 1.4708(14) 0.028(5) Uiso 1 1 d .
N3A N 0.8249(11) 0.1634(12) 1.4781(10) 0.018(3) Uiso 1 1 d .
C12B C 0.4009(13) 0.6331(16) 0.9733(12) 0.020(4) Uiso 1 1 d .
C13B C 0.6160(15) 0.4376(17) 0.9871(14) 0.028(5) Uiso 1 1 d .
C12A C 0.5815(15) 0.1300(18) 1.4848(14) 0.029(5) Uiso 1 1 d .
C13A C 0.6321(15) 0.4356(16) 1.5345(14) 0.026(5) Uiso 1 1 d .
N8B N 0.1368(10) 0.2102(11) 0.2946(16) 0.17(2) Uiso 1 1 d GD
C20B C 0.0872(6) 0.1211(11) 0.2719(8) 0.006(3) Uiso 1 1 d GD
C21B C 0.1258(9) 0.0404(10) 0.2447(15) 0.094(13) Uiso 1 1 d GD
C22B C 0.2141(9) 0.0489(9) 0.2403(15) 0.076(10) Uiso 1 1 d GD
C23B C 0.2636(5) 0.1380(8) 0.2630(6) 0.043(6) Uiso 1 1 d GD
C24B C 0.2250(9) 0.2187(9) 0.2901(16) 0.112(16) Uiso 1 1 d GD
I4B I 0.3933(2) 0.1505(3) 0.2571(2) 0.1026(11) Uani 1 1 d D
N8A N 0.838(2) 0.0560(15) 1.266(5) 0.76(16) Uiso 1 1 d GD
C20A C 0.9049(13) -0.0060(13) 1.255(3) 0.27(5) Uiso 1 1 d GD
C21A C 0.8849(6) -0.1063(11) 1.2359(9) 0.000(3) Uiso 1 1 d GD
C22A C 0.7980(7) -0.1447(9) 1.2280(12) 0.25(5) Uiso 1 1 d GD
C23A C 0.7310(7) -0.0827(9) 1.2392(13) 0.18(3) Uiso 1 1 d GD
C24A C 0.7510(18) 0.0176(13) 1.258(4) 0.25(5) Uiso 1 1 d GD
I4A I 0.6013(2) -0.1332(3) 1.2287(3) 0.1106(12) Uani 1 1 d D
N2B N 0.6875(9) 0.2353(9) 0.8716(6) 0.025(4) Uiso 1 1 d G
C6B C 0.6648(11) 0.3151(7) 0.8138(8) 0.035(5) Uiso 1 1 d G
C7B C 0.6198(11) 0.2982(9) 0.7248(8) 0.038(6) Uiso 1 1 d G
C8B C 0.5975(11) 0.2016(10) 0.6935(6) 0.037(6) Uiso 1 1 d G
C9B C 0.6202(11) 0.1218(8) 0.7513(8) 0.029(5) Uiso 1 1 d G
C10B C 0.6652(10) 0.1387(8) 0.8403(7) 0.022(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 N4A 88.5(8) . .
N5A FeA N3A 178.4(9) . .
N4A FeA N3A 92.8(7) . .
N5A FeA N6A 90.5(8) . 2_758
N4A FeA N6A 179.0(8) . 2_758
N3A FeA N6A 88.2(7) . 2_758
N5A FeA N2A 88.6(7) . .
N4A FeA N2A 90.3(6) . .
N3A FeA N2A 90.5(6) . .
N6A FeA N2A 89.5(6) 2_758 .
N5A FeA N1A 91.0(7) . .
N4A FeA N1A 90.0(6) . .
N3A FeA N1A 89.9(6) . .
N6A FeA N1A 90.2(6) 2_758 .
N2A FeA N1A 179.5(6) . .
N6B FeB N3B 89.5(7) . .
N6B FeB N5B 90.3(7) . .
N3B FeB N5B 178.4(8) . .
N6B FeB N4B 179.1(8) . 2_647
N3B FeB N4B 91.4(8) . 2_647
N5B FeB N4B 88.9(7) . 2_647
N6B FeB N1B 88.4(6) . .
N3B FeB N1B 89.6(6) . .
N5B FeB N1B 92.0(6) . .
N4B FeB N1B 91.9(6) 2_647 .
N6B FeB N2B 90.4(6) . .
N3B FeB N2B 89.0(6) . .
N5B FeB N2B 89.4(6) . .
N4B FeB N2B 89.3(6) 2_647 .
N1B FeB N2B 178.2(6) . .
C13A Ag2A C12A 161.5(9) 2_648 .
C13A Ag2A N7A 101.1(7) 2_648 .
C12A Ag2A N7A 96.0(8) . .
C14A Ag1A C11A 175.3(9) . .
C13B Ag2B C12B 161.8(9) . .
C13B Ag2B N7B 98.2(7) . .
C12B Ag2B N7B 100.0(7) . .
C14B Ag1B C11B 175.1(9) 2_747 .
C1B N1B C5B 120.0 . .
C1B N1B FeB 118.0(7) . .
C5B N1B FeB 121.9(7) . .
C2B C1B N1B 120.0 . .
C1B C2B C3B 120.0 . .
C4B C3B C2B 120.0 . .
C5B C4B C3B 120.0 . .
C5B C4B I1B 116.9(8) . .
C3B C4B I1B 122.9(8) . .
C4B C5B N1B 120.0 . .
C5A N1A C1A 120.0 . .
C5A N1A FeA 121.0(7) . .
C1A N1A FeA 119.0(7) . .
N1A C5A C4A 120.0 . .
C3A C4A C5A 120.0 . .
C3A C4A I1A 120.3(8) . .
C5A C4A I1A 119.4(8) . .
C4A C3A C2A 120.0 . .
C1A C2A C3A 120.0 . .
C2A C1A N1A 120.0 . .
C10A N2A C6A 120.0 . .
C10A N2A FeA 121.2(7) . .
C6A N2A FeA 118.7(7) . .
C9A C10A N2A 120.0 . .
C8A C9A C10A 120.0 . .
C8A C9A I2A 122.2(8) . .
C10A C9A I2A 117.7(8) . .
C9A C8A C7A 120.0 . .
C6A C7A C8A 120.0 . .
C7A C6A N2A 120.0 . .
C15A N7A C19A 120.0 . .
C15A N7A Ag2A 117.9(9) . .
C19A N7A Ag2A 121.0(9) . .
N7A C15A C16A 120.0 . .
C17A C16A C15A 120.0 . .
C16A C17A C18A 120.0 . .
C17A C18A C19A 120.0 . .
C17A C18A I3A 122.1(9) . .
C19A C18A I3A 117.9(9) . .
C18A C19A N7A 120.0 . .
C19B N7B C15B 120.0 . .
C19B N7B Ag2B 121.1(8) . .
C15B N7B Ag2B 117.5(8) . .
C18B C19B N7B 120.0 . .
C19B C18B C17B 120.0 . .
C19B C18B I3B 118.4(9) . .
C17B C18B I3B 121.5(9) . .
C18B C17B C16B 120.0 . .
C15B C16B C17B 120.0 . .
C16B C15B N7B 120.0 . .
C14B N6B FeB 175.5(17) . .
C13B N5B FeB 170.2(18) . .
C12A N4A FeA 170.2(18) . .
C11B N3B FeB 172.7(17) . .
C14A N6A FeA 176.7(17) . 2_748
N3B C11B AgB 174.0(19) . .
C13A N5A FeA 177(2) . .
C12B N4B FeB 172.1(18) . 2_657
N6A C14A Ag1A 174(2) . .
N6B C14B Ag1B 175.3(19) . 2_757
N3A C11A Ag1A 175.6(19) . .
C11A N3A FeA 172.6(17) . .
N4B C12B Ag2B 171.4(17) . .
N5B C13B Ag2B 175(2) . .
N4A C12A Ag2A 177.4(19) . .
N5A C13A Ag2A 169.1(19) . 2_658
C20B N8B C24B 120.0 . .
C21B C20B N8B 120.0 . .
C22B C21B C20B 120.0 . .
C21B C22B C23B 120.0 . .
C24B C23B C22B 120.0 . .
C24B C23B I4B 119.9(5) . .
C22B C23B I4B 120.1(5) . .
C23B C24B N8B 120.0 . .
C23B C24B I4B 36.3(3) . .
N8B C24B I4B 156.3(3) . .
C23B I4B C24B 23.82(18) . .
C20A N8A C24A 120.0 . .
N8A C20A C21A 120.0 . .
C22A C21A C20A 120.0 . .
C21A C22A C23A 120.0 . .
C24A C23A C22A 120.0 . .
C24A C23A I4A 117.6(5) . .
C22A C23A I4A 122.4(5) . .
C23A C24A N8A 120.0 . .
C23A C24A I4A 37.8(3) . .
N8A C24A I4A 157.8(3) . .
C23A I4A C24A 24.60(19) . .
C6B N2B C10B 120.0 . .
C6B N2B FeB 118.0(7) . .
C10B N2B FeB 121.9(7) . .
N2B C6B C7B 120.0 . .
C8B C7B C6B 120.0 . .
C9B C8B C7B 120.0 . .
C8B C9B C10B 120.0 . .
C8B C9B I2B 122.4(7) . .
C10B C9B I2B 117.6(7) . .
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 1.933(9) .
FeA N4A 1.920(17) .
FeA N3A 1.920(17) .
FeA N6A 1.941(16) 2_758
FeA N2A 1.998(10) .
FeA N1A 2.008(10) .
FeB N6B 1.916(16) .
FeB N3B 1.934(18) .
FeB N5B 1.965(17) .
FeB N4B 1.953(18) 2_647
FeB N1B 1.971(10) .
FeB N2B 2.013(9) .
Ag2A C13A 2.08(2) 2_648
Ag2A C12A 2.09(2) .
Ag2A N7A 2.514(13) .
Ag1A C14A 2.06(2) .
Ag1A C11A 2.09(2) .
Ag2B C13B 2.11(2) .
Ag2B C12B 2.10(2) .
Ag2B N7B 2.517(13) .
Ag1B C14B 2.05(2) 2_747
Ag1B C11B 2.06(2) .
I1A C4A 2.061(11) .
I2A C9A 2.052(10) .
I3A C18A 2.100(12) .
I1B C4B 2.073(11) .
I2B C9B 2.056(10) .
I3B C18B 2.050(12) .
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 C5A 1.3900 .
N1A C1A 1.3900 .
C5A C4A 1.3900 .
C4A C3A 1.3900 .
C3A C2A 1.3900 .
C2A C1A 1.3900 .
N2A C10A 1.3900 .
N2A C6A 1.3900 .
C10A C9A 1.3900 .
C9A C8A 1.3900 .
C8A C7A 1.3900 .
C7A C6A 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 C19B 1.3900 .
N7B C15B 1.3900 .
C19B C18B 1.3900 .
C18B C17B 1.3900 .
C17B C16B 1.3900 .
C16B C15B 1.3900 .
N6B C14B 1.19(3) .
N5B C13B 1.08(3) .
N4A C12A 1.17(3) .
N3B C11B 1.17(3) .
N6A C14A 1.15(3) .
N6A FeA 1.941(16) 2_748
N5A C13A 1.16(2) .
N4B C12B 1.12(3) .
N4B FeB 1.953(18) 2_657
C14B Ag1B 2.05(2) 2_757
C11A N3A 1.14(3) .
C13A Ag2A 2.08(2) 2_658
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 2.038(6) .
C24B I4B 2.985(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 2.049(6) .
C24A I4A 2.961(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 .
