#------------------------------------------------------------------------------
#$Date: 2020-07-06 06:05:19 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253891 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/45/7704578.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_7704578
loop_
_publ_author_name
'Maity, Suvendu'
'Naskar, Kaushik'
'Bhowmik, Tanmay'
'Bera, Amalendu'
'Weyhermüller, Thomas'
'Sinha, Chittaranjan'
'Ghosh, Prasanta'
_publ_section_title
;
 Coordination polymers of Ag(i) and Hg(i) ions with 2,2'-azobispyridine:
 synthesis, characterization and enhancement of conductivity in the
 presence of Cu(ii) ions.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8438
_journal_page_last               8442
_journal_paper_doi               10.1039/d0dt01470b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C30 H24 Hg2 N12, 2(F6 P), H2 O'
_chemical_formula_sum            'C30 H26 F12 Hg2 N12 O P2'
_chemical_formula_weight         1261.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                WGT-PG-500-15
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-31 deposited with the CCDC.	2020-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.946(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.7408(9)
_cell_length_b                   16.2559(9)
_cell_length_c                   15.888(2)
_cell_measurement_reflns_used    92592
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.0978
_cell_measurement_theta_min      2.6123
_cell_volume                     3845.2(6)
_computing_cell_refinement       'DENZO (Bruker AXS, 2006)'
_computing_data_collection       'DATCOL (Bruker AXS, 2006)'
_computing_data_reduction        'DENZO (Bruker AXS, 2006)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 18.02
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker AXS Enraf-Nonius KappaCCD'
_diffrn_measurement_method       'CCD φ- and ω-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         '0.2 x 2mm^2^ focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            86047
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.070
_diffrn_reflns_theta_min         2.849
_exptl_absorpt_coefficient_mu    8.163
_exptl_absorpt_correction_T_max  0.55306
_exptl_absorpt_correction_T_min  0.32533
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.180
_exptl_crystal_description       prism
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.828
_refine_diff_density_min         -2.231
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         14552
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0241P)²+5.0164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0558
_refine_ls_wR_factor_ref         0.0588
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12894
_reflns_number_total             14552
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01470b2.cif
_cod_data_source_block           7347new
_cod_depositor_comments
'Adding full bibliography for 7704577--7704578.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7704578
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.23213(2) 0.44372(2) 0.55662(2) 0.01992(2) Uani 1 1 d . . . . .
Hg2 Hg 0.25609(2) 0.48762(2) 0.41313(2) 0.01934(2) Uani 1 1 d . . . . .
N1 N 0.11962(14) 0.54377(14) 0.29009(16) 0.0251(4) Uani 1 1 d . . . . .
C2 C 0.05541(17) 0.59122(17) 0.3022(2) 0.0305(6) Uani 1 1 d . . . . .
H2 H 0.065313 0.615852 0.358808 0.037 Uiso 1 1 calc R U . . .
C3 C -0.02563(19) 0.60603(19) 0.2350(3) 0.0380(7) Uani 1 1 d . . . . .
H3 H -0.070359 0.639527 0.245963 0.046 Uiso 1 1 calc R U . . .
C4 C -0.0400(2) 0.5714(2) 0.1523(3) 0.0451(9) Uani 1 1 d . . . . .
H4 H -0.093795 0.582443 0.104893 0.054 Uiso 1 1 calc R U . . .
C5 C 0.0260(2) 0.5197(2) 0.1393(2) 0.0372(7) Uani 1 1 d . . . . .
H5 H 0.017782 0.493817 0.083650 0.045 Uiso 1 1 calc R U . . .
C6 C 0.10385(17) 0.50794(18) 0.21113(19) 0.0273(5) Uani 1 1 d . . . . .
N7 N 0.16909(15) 0.45334(16) 0.19664(15) 0.0268(4) Uani 1 1 d . . . . .
N8 N 0.23486(14) 0.44081(13) 0.26542(14) 0.0215(4) Uani 1 1 d . . . . .
C9 C 0.30536(16) 0.38952(16) 0.25663(17) 0.0229(4) Uani 1 1 d . . . . .
C10 C 0.30359(18) 0.34980(19) 0.17863(19) 0.0292(5) Uani 1 1 d . . . . .
H10 H 0.252788 0.353035 0.126258 0.035 Uiso 1 1 calc R U . . .
C11 C 0.3789(2) 0.30547(19) 0.1807(2) 0.0323(6) Uani 1 1 d . . . . .
H11 H 0.380915 0.276597 0.129414 0.039 Uiso 1 1 calc R U . . .
C12 C 0.45175(19) 0.30344(18) 0.2584(2) 0.0297(5) Uani 1 1 d . . . . .
H12 H 0.505095 0.274949 0.260535 0.036 Uiso 1 1 calc R U . . .
C13 C 0.44541(18) 0.34364(17) 0.33289(19) 0.0265(5) Uani 1 1 d . . . . .
H13 H 0.494803 0.340396 0.386492 0.032 Uiso 1 1 calc R U . . .
N14 N 0.37334(15) 0.38677(14) 0.33319(15) 0.0242(4) Uani 1 1 d . . . . .
N21 N 0.36762(14) 0.43047(13) 0.69397(15) 0.0218(4) Uani 1 1 d . . . . .
C22 C 0.43965(17) 0.47955(17) 0.71807(18) 0.0253(5) Uani 1 1 d . . . . .
H22 H 0.436962 0.530566 0.688159 0.030 Uiso 1 1 calc R U . . .
C23 C 0.51863(17) 0.45856(18) 0.78558(19) 0.0276(5) Uani 1 1 d . . . . .
H23 H 0.568757 0.494712 0.801111 0.033 Uiso 1 1 calc R U . . .
C24 C 0.52306(18) 0.38438(19) 0.82965(19) 0.0310(6) Uani 1 1 d . . . . .
H24 H 0.575906 0.369103 0.876289 0.037 Uiso 1 1 calc R U . . .
C25 C 0.44872(17) 0.33274(17) 0.80436(18) 0.0271(5) Uani 1 1 d . . . . .
H25 H 0.449431 0.281386 0.833112 0.033 Uiso 1 1 calc R U . . .
C26 C 0.37326(16) 0.35841(16) 0.73575(16) 0.0211(4) Uani 1 1 d . . . . .
N27 N 0.29937(14) 0.30202(14) 0.71073(14) 0.0221(4) Uani 1 1 d . . . . .
N28 N 0.23401(13) 0.32628(13) 0.64716(13) 0.0191(4) Uani 1 1 d . . . . .
C29 C 0.15849(16) 0.27219(15) 0.61911(16) 0.0200(4) Uani 1 1 d . . . . .
C30 C 0.15708(17) 0.19479(17) 0.65570(19) 0.0259(5) Uani 1 1 d . . . . .
H30 H 0.205646 0.175744 0.704854 0.031 Uiso 1 1 calc R U . . .
C31 C 0.08170(19) 0.14645(18) 0.6174(2) 0.0315(6) Uani 1 1 d . . . . .
H31 H 0.078653 0.092040 0.638047 0.038 Uiso 1 1 calc R U . . .
C32 C 0.01090(18) 0.17878(19) 0.5485(2) 0.0301(5) Uani 1 1 d . . . . .
H32 H -0.041344 0.146850 0.521202 0.036 Uiso 1 1 calc R U . . .
C33 C 0.01764(18) 0.25863(18) 0.52019(19) 0.0284(5) Uani 1 1 d . . . . .
H33 H -0.032339 0.281317 0.475076 0.034 Uiso 1 1 calc R U . . .
N34 N 0.09102(14) 0.30509(14) 0.55329(15) 0.0238(4) Uani 1 1 d . . . . .
N41 N 0.35281(12) 0.58825(13) 0.38554(13) 0.0179(3) Uani 1 1 d . . . . .
C42 C 0.32613(15) 0.65314(15) 0.33137(16) 0.0211(4) Uani 1 1 d . . . . .
H42 H 0.265012 0.656429 0.294867 0.025 Uiso 1 1 calc R U . . .
C43 C 0.38441(16) 0.71587(16) 0.32650(17) 0.0234(5) Uani 1 1 d . . . . .
H43 H 0.363550 0.761152 0.287432 0.028 Uiso 1 1 calc R U . . .
C44 C 0.47374(16) 0.71098(16) 0.37990(18) 0.0239(5) Uani 1 1 d . . . . .
H44 H 0.514375 0.754047 0.379426 0.029 Uiso 1 1 calc R U . . .
C45 C 0.50322(15) 0.64265(15) 0.43399(16) 0.0203(4) Uani 1 1 d . . . . .
H45 H 0.564340 0.637077 0.469870 0.024 Uiso 1 1 calc R U . . .
C46 C 0.44028(14) 0.58281(15) 0.43381(15) 0.0173(4) Uani 1 1 d . . . . .
N47 N 0.45946(12) 0.51099(12) 0.48902(14) 0.0180(3) Uani 1 1 d . . . . .
N51 N 0.15596(14) 0.50969(13) 0.64931(15) 0.0216(4) Uani 1 1 d . . . . .
C52 C 0.19128(18) 0.53220(18) 0.73485(18) 0.0267(5) Uani 1 1 d . . . . .
H52 H 0.250417 0.514707 0.767429 0.032 Uiso 1 1 calc R U . . .
C53 C 0.14482(19) 0.57997(18) 0.77752(19) 0.0294(5) Uani 1 1 d . . . . .
H53 H 0.171722 0.594937 0.838182 0.035 Uiso 1 1 calc R U . . .
C54 C 0.05843(18) 0.60559(16) 0.73029(18) 0.0261(5) Uani 1 1 d . . . . .
H54 H 0.026062 0.639675 0.757810 0.031 Uiso 1 1 calc R U . . .
C55 C 0.01960(17) 0.58097(15) 0.64235(18) 0.0225(4) Uani 1 1 d . . . . .
H55 H -0.039800 0.596801 0.608608 0.027 Uiso 1 1 calc R U . . .
C56 C 0.07129(16) 0.53217(15) 0.60571(16) 0.0194(4) Uani 1 1 d . . . . .
N57 N 0.04167(13) 0.50252(12) 0.51621(14) 0.0198(4) Uani 1 1 d . . . . .
P100 P 0.29148(5) 0.16203(6) 0.45235(5) 0.03457(17) Uani 1 1 d . . . . .
F101 F 0.32536(16) 0.2260(2) 0.5327(2) 0.0820(10) Uani 1 1 d . . . . .
F102 F 0.35977(19) 0.1988(2) 0.4080(2) 0.0800(9) Uani 1 1 d . . . . .
F103 F 0.21604(16) 0.22533(15) 0.39846(18) 0.0577(6) Uani 1 1 d . . . . .
F104 F 0.22244(13) 0.12484(18) 0.49774(14) 0.0544(6) Uani 1 1 d . . . . .
F105 F 0.36536(15) 0.0978(2) 0.50599(17) 0.0662(8) Uani 1 1 d . . . . .
F106 F 0.25479(17) 0.09816(16) 0.37317(14) 0.0561(6) Uani 1 1 d . . . . .
P200 P 0.26766(4) 0.71780(4) 0.57080(4) 0.02204(12) Uani 1 1 d . . . . .
F201 F 0.32036(14) 0.63516(12) 0.61090(16) 0.0500(6) Uani 1 1 d . . . . .
F202 F 0.34208(15) 0.74064(17) 0.52715(16) 0.0552(6) Uani 1 1 d . . . . .
F203 F 0.32301(12) 0.76648(12) 0.65935(12) 0.0377(4) Uani 1 1 d . . . . .
F204 F 0.19245(12) 0.69576(14) 0.61449(13) 0.0412(4) Uani 1 1 d . . . . .
F205 F 0.21137(12) 0.66985(11) 0.48194(12) 0.0361(4) Uani 1 1 d . . . . .
F206 F 0.21380(14) 0.80042(12) 0.53109(14) 0.0435(5) Uani 1 1 d . . . . .
O300 O 0.1700(4) 0.9671(3) 0.5707(4) 0.1207(18) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 1.00 0.00 0.0550
0.00 -1.00 0.00 0.0550
-3.00 0.00 2.00 0.0900
2.00 0.00 -1.00 0.1100
0.00 0.00 1.00 0.1000
0.00 0.00 -1.00 0.1000
-1.00 0.00 2.00 0.0750
0.00 1.00 1.00 0.0800
0.00 -1.00 1.00 0.0800
0.00 -1.00 -1.00 0.0800
0.00 1.00 -1.00 0.0800
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
N28 Hg1 N51 84.24(7) . . ?
N28 Hg1 N21 64.37(7) . . ?
N51 Hg1 N21 87.61(7) . . ?
N28 Hg1 Hg2 142.43(5) . . ?
N51 Hg1 Hg2 131.96(5) . . ?
N21 Hg1 Hg2 118.22(5) . . ?
N41 Hg2 N8 86.07(7) . . ?
N41 Hg2 Hg1 130.81(5) . . ?
N8 Hg2 Hg1 141.44(5) . . ?
N41 Hg2 N1 92.46(7) . . ?
N8 Hg2 N1 63.08(8) . . ?
Hg1 Hg2 N1 117.08(5) . . ?
C6 N1 C2 118.1(2) . . ?
C6 N1 Hg2 114.67(17) . . ?
C2 N1 Hg2 125.7(2) . . ?
N1 C2 C3 122.5(3) . . ?
C4 C3 C2 119.1(3) . . ?
C3 C4 C5 119.0(3) . . ?
C6 C5 C4 117.4(3) . . ?
N1 C6 C5 123.9(3) . . ?
N1 C6 N7 119.9(2) . . ?
C5 C6 N7 116.2(3) . . ?
N8 N7 C6 113.1(2) . . ?
N7 N8 C9 117.2(2) . . ?
N7 N8 Hg2 128.16(18) . . ?
C9 N8 Hg2 114.62(16) . . ?
N14 C9 C10 125.1(2) . . ?
N14 C9 N8 110.4(2) . . ?
C10 C9 N8 124.5(2) . . ?
C11 C10 C9 116.9(3) . . ?
C10 C11 C12 119.3(3) . . ?
C13 C12 C11 118.8(3) . . ?
N14 C13 C12 123.3(3) . . ?
C9 N14 C13 116.4(2) . . ?
C26 N21 C22 117.9(2) . . ?
C26 N21 Hg1 114.02(16) . . ?
C22 N21 Hg1 126.76(18) . . ?
N21 C22 C23 122.4(3) . . ?
C24 C23 C22 119.2(2) . . ?
C23 C24 C25 118.7(2) . . ?
C24 C25 C26 118.1(3) . . ?
N21 C26 C25 123.7(2) . . ?
N21 C26 N27 120.4(2) . . ?
C25 C26 N27 115.8(2) . . ?
N28 N27 C26 113.8(2) . . ?
N27 N28 C29 116.2(2) . . ?
N27 N28 Hg1 125.90(16) . . ?
C29 N28 Hg1 117.29(15) . . ?
N34 C29 C30 125.0(2) . . ?
N34 C29 N28 111.5(2) . . ?
C30 C29 N28 123.5(2) . . ?
C31 C30 C29 117.2(2) . . ?
C32 C31 C30 119.0(3) . . ?
C31 C32 C33 118.9(3) . . ?
N34 C33 C32 123.2(3) . . ?
C29 N34 C33 116.6(2) . . ?
C42 N41 C46 117.9(2) . . ?
C42 N41 Hg2 125.17(15) . . ?
C46 N41 Hg2 116.72(15) . . ?
N41 C42 C43 122.6(2) . . ?
C44 C43 C42 118.6(2) . . ?
C43 C44 C45 119.5(2) . . ?
C46 C45 C44 117.7(2) . . ?
N41 C46 C45 123.6(2) . . ?
N41 C46 N47 112.10(19) . . ?
C45 C46 N47 124.2(2) . . ?
N47 N47 C46 113.2(2) 3_666 . ?
C56 N51 C52 117.7(2) . . ?
C56 N51 Hg1 114.29(16) . . ?
C52 N51 Hg1 127.65(17) . . ?
N51 C52 C53 122.5(3) . . ?
C52 C53 C54 119.0(3) . . ?
C53 C54 C55 119.4(2) . . ?
C54 C55 C56 117.3(2) . . ?
N51 C56 C55 123.9(2) . . ?
N51 C56 N57 111.8(2) . . ?
C55 C56 N57 124.2(2) . . ?
N57 N57 C56 113.1(2) 3_566 . ?
F102 P100 F106 91.10(17) . . ?
F102 P100 F105 90.14(15) . . ?
F106 P100 F105 90.57(15) . . ?
F102 P100 F103 90.69(16) . . ?
F106 P100 F103 88.89(13) . . ?
F105 P100 F103 179.01(16) . . ?
F102 P100 F101 90.63(18) . . ?
F106 P100 F101 178.12(15) . . ?
F105 P100 F101 90.17(17) . . ?
F103 P100 F101 90.36(16) . . ?
F102 P100 F104 179.78(19) . . ?
F106 P100 F104 89.11(14) . . ?
F105 P100 F104 89.77(14) . . ?
F103 P100 F104 89.40(14) . . ?
F101 P100 F104 89.16(15) . . ?
F202 P200 F204 179.43(14) . . ?
F202 P200 F201 90.55(14) . . ?
F204 P200 F201 90.01(13) . . ?
F202 P200 F203 90.00(12) . . ?
F204 P200 F203 89.87(10) . . ?
F201 P200 F203 90.07(11) . . ?
F202 P200 F206 90.18(13) . . ?
F204 P200 F206 89.26(12) . . ?
F201 P200 F206 179.27(14) . . ?
F203 P200 F206 89.95(11) . . ?
F202 P200 F205 90.24(12) . . ?
F204 P200 F205 89.88(11) . . ?
F201 P200 F205 90.53(11) . . ?
F203 P200 F205 179.35(11) . . ?
F206 P200 F205 89.44(10) . . ?
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
Hg1 N28 2.385(2) . ?
Hg1 N51 2.430(2) . ?
Hg1 N21 2.517(2) . ?
Hg1 Hg2 2.5313(3) . ?
Hg2 N41 2.3705(19) . ?
Hg2 N8 2.385(2) . ?
Hg2 N1 2.558(2) . ?
N1 C6 1.331(4) . ?
N1 C2 1.334(3) . ?
C2 C3 1.393(4) . ?
C3 C4 1.378(6) . ?
C4 C5 1.403(5) . ?
C5 C6 1.390(4) . ?
C6 N7 1.431(4) . ?
N7 N8 1.254(3) . ?
N8 C9 1.431(3) . ?
C9 N14 1.335(3) . ?
C9 C10 1.390(4) . ?
C10 C11 1.379(4) . ?
C11 C12 1.386(4) . ?
C12 C13 1.383(4) . ?
C13 N14 1.335(3) . ?
N21 C26 1.335(3) . ?
N21 C22 1.337(3) . ?
C22 C23 1.395(4) . ?
C23 C24 1.385(4) . ?
C24 C25 1.389(4) . ?
C25 C26 1.390(3) . ?
C26 N27 1.432(3) . ?
N27 N28 1.249(3) . ?
N28 C29 1.429(3) . ?
C29 N34 1.337(3) . ?
C29 C30 1.389(4) . ?
C30 C31 1.388(4) . ?
C31 C32 1.387(4) . ?
C32 C33 1.389(4) . ?
C33 N34 1.337(3) . ?
N41 C42 1.340(3) . ?
N41 C46 1.344(3) . ?
C42 C43 1.391(3) . ?
C43 C44 1.389(3) . ?
C44 C45 1.389(3) . ?
C45 C46 1.388(3) . ?
C46 N47 1.432(3) . ?
N47 N47 1.261(4) 3_666 ?
N51 C56 1.338(3) . ?
N51 C52 1.341(3) . ?
C52 C53 1.385(4) . ?
C53 C54 1.387(4) . ?
C54 C55 1.390(4) . ?
C55 C56 1.392(3) . ?
C56 N57 1.429(3) . ?
N57 N57 1.247(4) 3_566 ?
P100 F102 1.582(2) . ?
P100 F106 1.588(2) . ?
P100 F105 1.589(2) . ?
P100 F103 1.594(2) . ?
P100 F101 1.598(3) . ?
P100 F104 1.605(2) . ?
P200 F202 1.587(2) . ?
P200 F204 1.5955(19) . ?
P200 F201 1.599(2) . ?
P200 F203 1.6027(18) . ?
P200 F206 1.6040(19) . ?
P200 F205 1.6043(18) . ?
