#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/10/1101084.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_1101084
loop_
_publ_author_name
'Mohammad Abul Haj'
'Miguel Quirós'
'Juan M. Salas'
_publ_section_title
;
 Solution and solid state coexistence of head--head and head--tail
 isomers in dimeric Pd(II) and Pt(II) complexes of the type
 [M2(a--a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine
 ligand and chelating bidentate diamines
;
_journal_issue                   24
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              4740
_journal_page_last               4745
_journal_paper_doi               10.1039/b207263g
_journal_year                    2002
_chemical_formula_sum            'C34 H26 Cl2 N12 O12 Pd2'
_chemical_formula_weight         1078.37
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.468(6)
_cell_length_b                   20.652(10)
_cell_length_c                   25.162(5)
_cell_measurement_reflns_used    63
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16.0
_cell_measurement_theta_min      12.5
_cell_volume                     8038(5)
_computing_cell_refinement       'STADI4 (STOE, 1996)'
_computing_data_collection       'STADI4 (STOE, 1996)'
_computing_data_reduction        'X-RED  (STOE, 1996)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'STOE STADI4 4-circle-diffractometer'
_diffrn_measurement_method
; Scan width (omega) = 1.05 - 1.20, scan ratio 2theta:omega = 1.00
I(Net) and sigma(I) calculated according to Blessing (1987)
;
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1512
_diffrn_reflns_av_sigmaI/netI    0.2649
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7765
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        7.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.106
_exptl_absorpt_correction_T_max  0.7230
_exptl_absorpt_correction_T_min  0.6390
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             4288
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.317
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.491
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.485
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         7060
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.485
_refine_ls_R_factor_all          0.2782
_refine_ls_R_factor_gt           0.1483
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2413
_refine_ls_wR_factor_ref         0.2882
_reflns_number_gt                3251
_reflns_number_total             7060
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b207263g.txt
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'orthorrombic' was replaced with
'orthorhombic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               1101084
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.51892(9) 0.69469(8) 0.31661(6) 0.0447(5) Uani 1 1 d . . .
Pd2 Pd 0.46011(9) 0.69137(8) 0.42962(6) 0.0482(5) Uani 1 1 d . . .
N1A N 0.6377(11) 0.8770(9) 0.3420(10) 0.079(7) Uani 1 1 d . . .
C2A C 0.6075(13) 0.8276(11) 0.3132(10) 0.062(6) Uani 1 1 d . . .
H2A H 0.6123 0.8264 0.2764 0.074 Uiso 1 1 d R . .
N3A N 0.5684(9) 0.7772(7) 0.3413(6) 0.045(4) Uani 1 1 d . . .
C3AA C 0.5749(12) 0.7952(10) 0.3921(9) 0.046(5) Uani 1 1 d . . .
N4A N 0.5429(11) 0.7664(8) 0.4351(7) 0.058(5) Uani 1 1 d . . .
C5A C 0.5605(12) 0.7967(11) 0.4805(9) 0.062(6) Uani 1 1 d . . .
H5A H 0.5447 0.7777 0.5126 0.075 Uiso 1 1 d R . .
C6A C 0.6036(14) 0.8544(13) 0.4796(10) 0.075(8) Uani 1 1 d . . .
H6A H 0.6127 0.8724 0.5130 0.090 Uiso 1 1 d R . .
C7A C 0.634(2) 0.8919(15) 0.4371(16) 0.118(13) Uani 1 1 d . . .
O7A O 0.6670(12) 0.9450(9) 0.4315(10) 0.137(9) Uani 1 1 d . . .
N8A N 0.6144(11) 0.8546(10) 0.3971(8) 0.066(6) Uani 1 1 d . . .
N1B N 0.2580(14) 0.8247(10) 0.3958(9) 0.095(7) Uani 1 1 d . . .
C2B C 0.3125(16) 0.7897(10) 0.4268(9) 0.069(7) Uani 1 1 d . . .
H2B H 0.3111 0.7928 0.4637 0.082 Uiso 1 1 d R . .
N3B N 0.3703(11) 0.7515(8) 0.4011(7) 0.054(5) Uani 1 1 d . . .
C3AB C 0.3607(12) 0.7634(10) 0.3503(9) 0.049(6) Uani 1 1 d . . .
N4B N 0.4055(9) 0.7403(7) 0.3090(6) 0.038(4) Uani 1 1 d . . .
C5B C 0.3774(13) 0.7655(10) 0.2608(8) 0.050(6) Uani 1 1 d . . .
H5B H 0.4054 0.7519 0.2301 0.060 Uiso 1 1 d R . .
C6B C 0.3149(14) 0.8069(11) 0.2555(9) 0.063(6) Uani 1 1 d . . .
H6B H 0.3008 0.8213 0.2216 0.076 Uiso 1 1 d R . .
C7B C 0.2678(17) 0.8310(13) 0.2979(14) 0.093(10) Uani 1 1 d . . .
O7B O 0.2084(12) 0.8729(9) 0.2993(8) 0.132(8) Uani 1 1 d . . .
N8B N 0.2939(13) 0.8080(10) 0.3440(8) 0.075(6) Uani 1 1 d . . .
N1P N 0.4721(11) 0.6070(7) 0.3003(6) 0.045(4) Uani 1 1 d . . .
C1AP C 0.5347(12) 0.5614(9) 0.3044(6) 0.037(5) Uani 1 1 d . . .
C2P C 0.3913(15) 0.5875(10) 0.2912(7) 0.054(6) Uani 1 1 d . . .
H2P H 0.3481 0.6187 0.2887 0.065 Uiso 1 1 d R . .
C3P C 0.3674(17) 0.5223(11) 0.2852(7) 0.070(8) Uani 1 1 d . . .
H3P H 0.3107 0.5096 0.2788 0.084 Uiso 1 1 d R . .
C4P C 0.4358(19) 0.4787(11) 0.2890(9) 0.077(8) Uani 1 1 d . . .
H4P H 0.4221 0.4351 0.2857 0.093 Uiso 1 1 d R . .
C4AP C 0.5197(16) 0.4951(13) 0.2979(10) 0.075(8) Uani 1 1 d . . .
C5P C 0.5896(18) 0.4500(11) 0.3025(9) 0.078(8) Uani 1 1 d . . .
H5P H 0.5794 0.4058 0.2992 0.093 Uiso 1 1 d R . .
C6P C 0.6704(16) 0.4724(11) 0.3120(8) 0.066(7) Uani 1 1 d . . .
H6P H 0.7161 0.4431 0.3134 0.079 Uiso 1 1 d R . .
C6AP C 0.6869(14) 0.5396(12) 0.3198(9) 0.063(6) Uani 1 1 d . . .
C7P C 0.7690(13) 0.5623(12) 0.3300(8) 0.062(7) Uani 1 1 d . . .
H7P H 0.8155 0.5340 0.3330 0.074 Uiso 1 1 d R . .
C8P C 0.7815(13) 0.6283(11) 0.3350(8) 0.052(6) Uani 1 1 d . . .
H8P H 0.8366 0.6451 0.3406 0.062 Uiso 1 1 d R . .
C9P C 0.7104(14) 0.6689(11) 0.3315(8) 0.063(7) Uani 1 1 d . . .
H9P H 0.7182 0.7133 0.3352 0.076 Uiso 1 1 d R . .
N10P N 0.6303(10) 0.6452(8) 0.3229(6) 0.048(4) Uani 1 1 d . . .
C0AP C 0.6203(13) 0.5821(11) 0.3130(7) 0.045(5) Uani 1 1 d . . .
N1Q N 0.3836(10) 0.6150(7) 0.4245(6) 0.044(4) Uani 1 1 d . . .
C1AQ C 0.4267(13) 0.5567(10) 0.4267(7) 0.046(5) Uani 1 1 d . . .
C2Q C 0.2994(16) 0.6100(10) 0.4172(8) 0.060(6) Uani 1 1 d . . .
H2Q H 0.2676 0.6482 0.4163 0.072 Uiso 1 1 d R . .
C3Q C 0.2527(16) 0.5529(13) 0.4094(8) 0.069(7) Uani 1 1 d . . .
H3Q H 0.1929 0.5536 0.4057 0.083 Uiso 1 1 d R . .
C4Q C 0.2949(18) 0.4969(12) 0.4090(9) 0.077(8) Uani 1 1 d . . .
H4Q H 0.2668 0.4585 0.4004 0.093 Uiso 1 1 d R . .
C4AQ C 0.3878(18) 0.4977(12) 0.4210(8) 0.068(7) Uani 1 1 d . . .
C5Q C 0.440(2) 0.4410(13) 0.4230(10) 0.097(11) Uani 1 1 d . . .
H5Q H 0.4145 0.4006 0.4183 0.116 Uiso 1 1 d R . .
C6Q C 0.529(3) 0.4464(17) 0.4323(12) 0.120(14) Uani 1 1 d . . .
H6Q H 0.5632 0.4093 0.4328 0.144 Uiso 1 1 d R . .
C6AQ C 0.5665(18) 0.5081(14) 0.4399(9) 0.073(8) Uani 1 1 d . . .
C7Q C 0.653(2) 0.5120(15) 0.4528(10) 0.091(10) Uani 1 1 d . . .
H7Q H 0.6861 0.4749 0.4564 0.109 Uiso 1 1 d R . .
C8Q C 0.6878(16) 0.5747(17) 0.4615(10) 0.096(11) Uani 1 1 d . . .
H8Q H 0.7467 0.5803 0.4673 0.115 Uiso 1 1 d R . .
C9Q C 0.6318(15) 0.6266(14) 0.4589(7) 0.074(8) Uani 1 1 d . . .
H9Q H 0.6547 0.6671 0.4667 0.089 Uiso 1 1 d R . .
N10Q N 0.5476(11) 0.6235(9) 0.4466(7) 0.055(5) Uani 1 1 d . . .
C0AQ C 0.5159(13) 0.5642(11) 0.4385(7) 0.049(5) Uani 1 1 d . . .
Cl1 Cl 0.8396(4) 0.7750(3) 0.4280(2) 0.090(2) Uani 1 1 d D . .
O1P O 0.8357(13) 0.7946(9) 0.3768(4) 0.169(10) Uiso 1 1 d D . .
O2P O 0.7704(10) 0.7359(8) 0.4386(7) 0.162(9) Uiso 1 1 d D . .
O3P O 0.9141(10) 0.7443(12) 0.4384(10) 0.37(2) Uiso 1 1 d D . .
O4P O 0.8332(17) 0.8283(8) 0.4606(8) 0.280(18) Uiso 1 1 d D . .
Cl2 Cl 0.6160(5) 0.6706(4) 0.1776(3) 0.124(3) Uani 1 1 d D . .
O5P O 0.6210(11) 0.6798(9) 0.1235(4) 0.130(7) Uiso 1 1 d D . .
O6P O 0.5435(11) 0.6357(10) 0.1880(8) 0.235(15) Uiso 1 1 d D . .
O7P O 0.6870(11) 0.6403(12) 0.1954(8) 0.276(18) Uiso 1 1 d D . .
O8P O 0.6073(17) 0.7297(7) 0.2013(8) 0.286(19) Uiso 1 1 d D . .
O1W O 0.435(3) 0.950(2) 0.3442(17) 0.129(15) Uiso 0.50 1 d P . .
O1W' O 0.435(2) 0.9158(18) 0.3863(15) 0.107(12) Uiso 0.50 1 d P . .
O2W O 0.450(4) 0.933(3) 0.566(3) 0.26(3) Uiso 0.50 1 d P . .
O2W' O 0.400(2) 0.9468(18) 0.4933(15) 0.118(13) Uiso 0.50 1 d P . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
N3A Pd1 N1P 173.1(6) . . ?
N3A Pd1 N4B 88.0(6) . . ?
N1P Pd1 N4B 95.1(6) . . ?
N3A Pd1 N10P 94.7(7) . . ?
N1P Pd1 N10P 82.3(7) . . ?
N4B Pd1 N10P 177.3(6) . . ?
N3A Pd1 Pd2 80.6(5) . . ?
N1P Pd1 Pd2 93.7(4) . . ?
N4B Pd1 Pd2 80.5(4) . . ?
N10P Pd1 Pd2 100.1(5) . . ?
N1Q Pd2 N10Q 81.9(7) . . ?
N1Q Pd2 N3B 93.2(7) . . ?
N10Q Pd2 N3B 170.4(7) . . ?
N1Q Pd2 N4A 177.3(7) . . ?
N10Q Pd2 N4A 95.5(7) . . ?
N3B Pd2 N4A 89.3(7) . . ?
N1Q Pd2 Pd1 98.0(5) . . ?
N10Q Pd2 Pd1 90.8(5) . . ?
N3B Pd2 Pd1 81.7(5) . . ?
N4A Pd2 Pd1 81.6(5) . . ?
C2A N1A N8A 100.4(18) . . ?
N1A C2A N3A 117(2) . . ?
C3AA N3A C2A 104.2(17) . . ?
C3AA N3A Pd1 124.9(14) . . ?
C2A N3A Pd1 130.8(15) . . ?
N4A C3AA N3A 128.8(19) . . ?
N4A C3AA N8A 119(2) . . ?
N3A C3AA N8A 111.6(19) . . ?
C3AA N4A C5A 114.4(18) . . ?
C3AA N4A Pd2 121.7(14) . . ?
C5A N4A Pd2 123.3(15) . . ?
N4A C5A C6A 120(2) . . ?
C5A C6A C7A 131(2) . . ?
O7A C7A N8A 123(4) . . ?
O7A C7A C6A 137(4) . . ?
N8A C7A C6A 100(3) . . ?
C7A N8A C3AA 135(3) . . ?
C7A N8A N1A 118(3) . . ?
C3AA N8A N1A 107.2(17) . . ?
C2B N1B N8B 98.7(18) . . ?
N3B C2B N1B 116(2) . . ?
C3AB N3B C2B 106.3(18) . . ?
C3AB N3B Pd2 123.1(16) . . ?
C2B N3B Pd2 130.5(16) . . ?
N3B C3AB N4B 129(2) . . ?
N3B C3AB N8B 108.6(19) . . ?
N4B C3AB N8B 122(2) . . ?
C3AB N4B C5B 112.5(17) . . ?
C3AB N4B Pd1 123.2(14) . . ?
C5B N4B Pd1 122.3(13) . . ?
C6B C5B N4B 125(2) . . ?
C5B C6B C7B 123(2) . . ?
O7B C7B N8B 117(3) . . ?
O7B C7B C6B 131(3) . . ?
N8B C7B C6B 113(2) . . ?
C7B N8B C3AB 125(2) . . ?
C7B N8B N1B 126(2) . . ?
C3AB N8B N1B 109.7(19) . . ?
C2P N1P C1AP 118.3(18) . . ?
C2P N1P Pd1 130.6(14) . . ?
C1AP N1P Pd1 110.8(13) . . ?
N1P C1AP C4AP 123(2) . . ?
N1P C1AP C0AP 118.3(18) . . ?
C4AP C1AP C0AP 118(2) . . ?
N1P C2P C3P 124(2) . . ?
C4P C3P C2P 114(2) . . ?
C4AP C4P C3P 125(2) . . ?
C4P C4AP C1AP 115(2) . . ?
C4P C4AP C5P 125(2) . . ?
C1AP C4AP C5P 120(2) . . ?
C6P C5P C4AP 119(2) . . ?
C5P C6P C6AP 121(2) . . ?
C0AP C6AP C7P 120(2) . . ?
C0AP C6AP C6P 118(2) . . ?
C7P C6AP C6P 121(2) . . ?
C6AP C7P C8P 119(2) . . ?
C7P C8P C9P 118.6(19) . . ?
N10P C9P C8P 121(2) . . ?
C0AP N10P C9P 119.4(18) . . ?
C0AP N10P Pd1 112.5(14) . . ?
C9P N10P Pd1 128.0(15) . . ?
N10P C0AP C6AP 121(2) . . ?
N10P C0AP C1AP 115.7(19) . . ?
C6AP C0AP C1AP 122(2) . . ?
C2Q N1Q C1AQ 114.5(17) . . ?
C2Q N1Q Pd2 131.5(14) . . ?
C1AQ N1Q Pd2 113.9(13) . . ?
C4AQ C1AQ N1Q 124(2) . . ?
C4AQ C1AQ C0AQ 123(2) . . ?
N1Q C1AQ C0AQ 112.6(19) . . ?
N1Q C2Q C3Q 127(2) . . ?
C4Q C3Q C2Q 119(2) . . ?
C3Q C4Q C4AQ 118(2) . . ?
C1AQ C4AQ C5Q 119(3) . . ?
C1AQ C4AQ C4Q 118(2) . . ?
C5Q C4AQ C4Q 124(3) . . ?
C6Q C5Q C4AQ 120(3) . . ?
C5Q C6Q C6AQ 120(3) . . ?
C7Q C6AQ C0AQ 120(3) . . ?
C7Q C6AQ C6Q 119(3) . . ?
C0AQ C6AQ C6Q 121(3) . . ?
C6AQ C7Q C8Q 118(3) . . ?
C9Q C8Q C7Q 117(3) . . ?
N10Q C9Q C8Q 126(3) . . ?
C0AQ N10Q C9Q 116(2) . . ?
C0AQ N10Q Pd2 111.3(14) . . ?
C9Q N10Q Pd2 132.4(18) . . ?
N10Q C0AQ C6AQ 123(2) . . ?
N10Q C0AQ C1AQ 119(2) . . ?
C6AQ C0AQ C1AQ 117(2) . . ?
O3P Cl1 O1P 111.5(9) . . ?
O3P Cl1 O2P 110.8(8) . . ?
O1P Cl1 O2P 109.1(8) . . ?
O3P Cl1 O4P 108.9(8) . . ?
O1P Cl1 O4P 109.0(8) . . ?
O2P Cl1 O4P 107.4(8) . . ?
O7P Cl2 O6P 111.3(9) . . ?
O7P Cl2 O8P 110.7(9) . . ?
O6P Cl2 O8P 108.0(8) . . ?
O7P Cl2 O5P 110.4(8) . . ?
O6P Cl2 O5P 108.1(8) . . ?
O8P Cl2 O5P 108.3(8) . . ?
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
Pd1 N3A 1.968(16) . ?
Pd1 N1P 1.994(16) . ?
Pd1 N4B 2.001(14) . ?
Pd1 N10P 2.009(16) . ?
Pd1 Pd2 2.986(2) . ?
Pd2 N1Q 1.977(16) . ?
Pd2 N10Q 1.995(16) . ?
Pd2 N3B 1.996(16) . ?
Pd2 N4A 2.015(17) . ?
N1A C2A 1.34(3) . ?
N1A N8A 1.51(3) . ?
C2A N3A 1.40(2) . ?
N3A C3AA 1.34(2) . ?
C3AA N4A 1.33(2) . ?
C3AA N8A 1.38(2) . ?
N4A C5A 1.33(2) . ?
C5A C6A 1.37(3) . ?
C6A C7A 1.40(4) . ?
C7A O7A 1.22(3) . ?
C7A N8A 1.30(3) . ?
N1B C2B 1.36(3) . ?
N1B N8B 1.46(2) . ?
C2B N3B 1.36(2) . ?
N3B C3AB 1.31(2) . ?
C3AB N4B 1.34(2) . ?
C3AB N8B 1.39(2) . ?
N4B C5B 1.39(2) . ?
C5B C6B 1.30(3) . ?
C6B C7B 1.39(3) . ?
C7B O7B 1.26(3) . ?
C7B N8B 1.32(3) . ?
N1P C2P 1.33(2) . ?
N1P C1AP 1.35(2) . ?
C1AP C4AP 1.40(3) . ?
C1AP C0AP 1.41(2) . ?
C2P C3P 1.40(3) . ?
C3P C4P 1.39(3) . ?
C4P C4AP 1.36(3) . ?
C4AP C5P 1.43(3) . ?
C5P C6P 1.35(3) . ?
C6P C6AP 1.43(3) . ?
C6AP C0AP 1.36(3) . ?
C6AP C7P 1.38(3) . ?
C7P C8P 1.38(3) . ?
C8P C9P 1.39(3) . ?
C9P N10P 1.35(2) . ?
N10P C0AP 1.33(2) . ?
N1Q C2Q 1.32(2) . ?
N1Q C1AQ 1.38(2) . ?
C1AQ C4AQ 1.37(3) . ?
C1AQ C0AQ 1.42(3) . ?
C2Q C3Q 1.40(3) . ?
C3Q C4Q 1.33(3) . ?
C4Q C4AQ 1.47(3) . ?
C4AQ C5Q 1.42(3) . ?
C5Q C6Q 1.40(4) . ?
C6Q C6AQ 1.41(4) . ?
C6AQ C7Q 1.37(3) . ?
C6AQ C0AQ 1.40(3) . ?
C7Q C8Q 1.42(3) . ?
C8Q C9Q 1.38(3) . ?
C9Q N10Q 1.34(2) . ?
N10Q C0AQ 1.34(2) . ?
Cl1 O3P 1.341(8) . ?
Cl1 O1P 1.351(8) . ?
Cl1 O2P 1.368(8) . ?
Cl1 O4P 1.376(9) . ?
Cl2 O7P 1.340(8) . ?
Cl2 O6P 1.359(9) . ?
Cl2 O8P 1.366(9) . ?
Cl2 O5P 1.376(8) . ?
O1W O1W' 1.28(4) . ?
