#------------------------------------------------------------------------------
#$Date: 2020-05-05 16:21:16 +0300 (Tue, 05 May 2020) $
#$Revision: 251629 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/38/7703869.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_7703869
loop_
_publ_author_name
'Hanf, Schirin'
'Colebatch, Annie L.'
'Stehr, Philipp'
'García-Rodríguez, Raúl'
'Hey-Hawkins, Evamarie'
'Wright, Dominic S.'
_publ_section_title
;
 An experimental and theoretical study of the coordination and donor
 properties of tris-2-pyridyl-phosphine ligands.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5312
_journal_page_last               5322
_journal_paper_doi               10.1039/d0dt00609b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C20 H14 Cl2 N3 O4 P W'
_chemical_formula_sum            'C20 H14 Cl2 N3 O4 P W'
_chemical_formula_weight         646.06
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_audit_update_record
;
2020-02-12 deposited with the CCDC.	2020-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                105.255(3)
_cell_angle_beta                 108.189(3)
_cell_angle_gamma                92.397(3)
_cell_formula_units_Z            4
_cell_length_a                   10.5568(3)
_cell_length_b                   14.7613(5)
_cell_length_c                   15.4570(4)
_cell_measurement_reflns_used    15025
_cell_measurement_temperature    130.00(14)
_cell_measurement_theta_max      32.2360
_cell_measurement_theta_min      2.3440
_cell_volume                     2187.43(13)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Diamond 4'
_computing_publication_material  SHELXL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130.00(14)
_diffrn_detector_area_resol_mean 16.3560
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.905
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            35979
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.905
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.533
_diffrn_reflns_theta_min         2.324
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.631
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear intense red'
_exptl_crystal_density_diffrn    1.962
_exptl_crystal_description       needle
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.2500
_exptl_crystal_size_mid          0.0500
_exptl_crystal_size_min          0.0500
_refine_diff_density_max         1.847
_refine_diff_density_min         -1.075
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         14346
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0169P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0551
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11210
_reflns_number_total             14346
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00609b2.cif
_cod_data_source_block           added_by_encifer_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7703867--7703872.cif.'
_cod_original_cell_volume        2187.42(12)
_cod_database_code               7703869
_shelx_shelxl_version_number     2014/7
_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, -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_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
W1 W 0.21764(2) 0.25752(2) 0.47460(2) 0.01615(3) Uani 1 1 d . . . . .
W2 W 0.28102(2) 0.75815(2) 0.00728(2) 0.01706(3) Uani 1 1 d . . . . .
Cl1 Cl 0.60029(9) 0.50538(6) 0.62637(5) 0.03342(18) Uani 1 1 d . . . . .
Cl2 Cl 0.48769(10) 0.61767(6) 0.76439(7) 0.0412(2) Uani 1 1 d . . . . .
Cl3 Cl 0.41447(10) 1.11998(6) 0.25171(6) 0.0388(2) Uani 1 1 d . . . . .
Cl4 Cl 0.58918(9) 1.03684(6) 0.14639(7) 0.0379(2) Uani 1 1 d . . . . .
P1 P 0.11835(8) 0.11679(5) 0.59529(5) 0.01651(14) Uani 1 1 d . . . . .
P2 P 0.17710(8) 0.61466(5) 0.12476(5) 0.01865(15) Uani 1 1 d . . . . .
O1 O 0.1826(3) 0.47663(16) 0.50486(16) 0.0386(6) Uani 1 1 d . . . . .
O2 O 0.5085(2) 0.30812(15) 0.47531(14) 0.0264(5) Uani 1 1 d . . . . .
O3 O 0.2948(2) 0.04935(15) 0.42203(15) 0.0298(5) Uani 1 1 d . . . . .
O4 O 0.1219(2) 0.22670(15) 0.25492(13) 0.0267(5) Uani 1 1 d . . . . .
O5 O 0.2305(2) 0.97107(16) 0.01652(16) 0.0348(5) Uani 1 1 d . . . . .
O6 O 0.5790(2) 0.81404(16) 0.02544(15) 0.0283(5) Uani 1 1 d . . . . .
O7 O 0.3444(3) 0.54619(17) -0.04968(16) 0.0405(6) Uani 1 1 d . . . . .
O8 O 0.2091(2) 0.73101(16) -0.21102(14) 0.0303(5) Uani 1 1 d . . . . .
N1 N 0.2773(2) 0.28265(16) 0.63450(15) 0.0159(5) Uani 1 1 d . . . . .
N2 N -0.0227(3) 0.12766(17) 0.72206(16) 0.0202(5) Uani 1 1 d . . . . .
N3 N 0.0082(2) 0.22308(17) 0.47902(15) 0.0181(5) Uani 1 1 d . . . . .
N4 N 0.3339(2) 0.78268(16) 0.16690(15) 0.0176(5) Uani 1 1 d . . . . .
N5 N 0.0896(3) 0.47883(17) 0.18463(16) 0.0220(5) Uani 1 1 d . . . . .
N6 N 0.0704(2) 0.72383(16) 0.00877(15) 0.0182(5) Uani 1 1 d . . . . .
C1 C 0.2286(3) 0.22566(19) 0.67605(18) 0.0163(5) Uani 1 1 d . . . . .
C2 C 0.2706(3) 0.2457(2) 0.77507(19) 0.0207(6) Uani 1 1 d . . . . .
H2 H 0.2373 0.2058 0.8028 0.025 Uiso 1 1 calc R U . . .
C3 C 0.3619(3) 0.3251(2) 0.83131(19) 0.0220(6) Uani 1 1 d . . . . .
H3 H 0.3907 0.3391 0.8973 0.026 Uiso 1 1 calc R U . . .
C4 C 0.4101(3) 0.3836(2) 0.78862(19) 0.0213(6) Uani 1 1 d . . . . .
H4 H 0.4711 0.4378 0.8252 0.026 Uiso 1 1 calc R U . . .
C5 C 0.3660(3) 0.3601(2) 0.69129(19) 0.0208(6) Uani 1 1 d . . . . .
H5 H 0.3988 0.3995 0.6628 0.025 Uiso 1 1 calc R U . . .
C6 C 0.0550(3) 0.07623(19) 0.67898(18) 0.0174(5) Uani 1 1 d . . . . .
C7 C 0.0990(3) -0.0057(2) 0.69879(19) 0.0207(6) Uani 1 1 d . . . . .
H7 H 0.1530 -0.0390 0.6679 0.025 Uiso 1 1 calc R U . . .
C8 C 0.0613(3) -0.0373(2) 0.7653(2) 0.0239(6) Uani 1 1 d . . . . .
H8 H 0.0903 -0.0917 0.7803 0.029 Uiso 1 1 calc R U . . .
C9 C -0.0202(3) 0.0135(2) 0.8087(2) 0.0251(7) Uani 1 1 d . . . . .
H9 H -0.0479 -0.0063 0.8531 0.030 Uiso 1 1 calc R U . . .
C10 C -0.0598(3) 0.0945(2) 0.78512(19) 0.0232(6) Uani 1 1 d . . . . .
H10 H -0.1153 0.1280 0.8145 0.028 Uiso 1 1 calc R U . . .
C11 C -0.0234(3) 0.16699(19) 0.52920(18) 0.0168(5) Uani 1 1 d . . . . .
C12 C -0.1564(3) 0.1419(2) 0.52050(19) 0.0214(6) Uani 1 1 d . . . . .
H12 H -0.1762 0.1019 0.5534 0.026 Uiso 1 1 calc R U . . .
C13 C -0.2590(3) 0.1767(2) 0.4628(2) 0.0258(7) Uani 1 1 d . . . . .
H13 H -0.3482 0.1597 0.4559 0.031 Uiso 1 1 calc R U . . .
C14 C -0.2269(3) 0.2371(2) 0.4156(2) 0.0268(7) Uani 1 1 d . . . . .
H14 H -0.2939 0.2630 0.3782 0.032 Uiso 1 1 calc R U . . .
C15 C -0.0943(3) 0.2581(2) 0.42474(19) 0.0230(6) Uani 1 1 d . . . . .
H15 H -0.0737 0.2982 0.3922 0.028 Uiso 1 1 calc R U . . .
C16 C 0.1926(3) 0.3982(2) 0.4951(2) 0.0232(6) Uani 1 1 d . . . . .
C17 C 0.3995(3) 0.2906(2) 0.47565(18) 0.0201(6) Uani 1 1 d . . . . .
C18 C 0.2600(3) 0.1221(2) 0.44462(19) 0.0199(6) Uani 1 1 d . . . . .
C19 C 0.1560(3) 0.2384(2) 0.3373(2) 0.0206(6) Uani 1 1 d . . . . .
C20 C 0.2870(3) 0.72331(19) 0.20729(18) 0.0170(5) Uani 1 1 d . . . . .
C21 C 0.3339(3) 0.7401(2) 0.30627(19) 0.0214(6) Uani 1 1 d . . . . .
H21 H 0.3039 0.6979 0.3333 0.026 Uiso 1 1 calc R U . . .
C22 C 0.4244(3) 0.8190(2) 0.36307(19) 0.0230(6) Uani 1 1 d . . . . .
H22 H 0.4561 0.8306 0.4288 0.028 Uiso 1 1 calc R U . . .
C23 C 0.4678(3) 0.8809(2) 0.32187(19) 0.0230(6) Uani 1 1 d . . . . .
H23 H 0.5276 0.9354 0.3592 0.028 Uiso 1 1 calc R U . . .
C24 C 0.4206(3) 0.8602(2) 0.22463(19) 0.0206(6) Uani 1 1 d . . . . .
H24 H 0.4501 0.9020 0.1971 0.025 Uiso 1 1 calc R U . . .
C25 C 0.0961(3) 0.5732(2) 0.20013(18) 0.0176(6) Uani 1 1 d . . . . .
C26 C 0.0413(3) 0.6312(2) 0.26261(19) 0.0213(6) Uani 1 1 d . . . . .
H26 H 0.0470 0.6962 0.2711 0.026 Uiso 1 1 calc R U . . .
C27 C -0.0214(3) 0.5895(2) 0.31122(19) 0.0222(6) Uani 1 1 d . . . . .
H27 H -0.0569 0.6264 0.3544 0.027 Uiso 1 1 calc R U . . .
C28 C -0.0309(3) 0.4925(2) 0.2953(2) 0.0239(6) Uani 1 1 d . . . . .
H28 H -0.0748 0.4630 0.3263 0.029 Uiso 1 1 calc R U . . .
C29 C 0.0259(3) 0.4402(2) 0.2325(2) 0.0243(6) Uani 1 1 d . . . . .
H29 H 0.0200 0.3750 0.2227 0.029 Uiso 1 1 calc R U . . .
C30 C 0.0377(3) 0.6660(2) 0.05635(18) 0.0181(6) Uani 1 1 d . . . . .
C31 C -0.0962(3) 0.6409(2) 0.04606(19) 0.0238(6) Uani 1 1 d . . . . .
H31 H -0.1174 0.5987 0.0764 0.029 Uiso 1 1 calc R U . . .
C32 C -0.1971(3) 0.6786(2) -0.0092(2) 0.0277(7) Uani 1 1 d . . . . .
H32 H -0.2866 0.6615 -0.0170 0.033 Uiso 1 1 calc R U . . .
C33 C -0.1633(3) 0.7419(2) -0.0527(2) 0.0271(7) Uani 1 1 d . . . . .
H33 H -0.2290 0.7706 -0.0877 0.032 Uiso 1 1 calc R U . . .
C34 C -0.0304(3) 0.7615(2) -0.04305(19) 0.0230(6) Uani 1 1 d . . . . .
H34 H -0.0084 0.8030 -0.0738 0.028 Uiso 1 1 calc R U . . .
C35 C 0.2500(3) 0.8956(2) 0.01819(19) 0.0214(6) Uani 1 1 d . . . . .
C36 C 0.4673(3) 0.7936(2) 0.01835(19) 0.0205(6) Uani 1 1 d . . . . .
C37 C 0.3173(3) 0.6206(2) -0.0240(2) 0.0230(6) Uani 1 1 d . . . . .
C38 C 0.2337(3) 0.7405(2) -0.1297(2) 0.0217(6) Uani 1 1 d . . . . .
C39 C 0.6248(4) 0.6089(2) 0.7208(2) 0.0320(8) Uani 1 1 d . . . . .
H39A H 0.6369 0.6637 0.6993 0.038 Uiso 1 1 calc R U . . .
H39B H 0.7063 0.6093 0.7722 0.038 Uiso 1 1 calc R U . . .
C40 C 0.4908(4) 1.1273(2) 0.1662(2) 0.0344(8) Uani 1 1 d . . . . .
H40A H 0.4212 1.1240 0.1067 0.041 Uiso 1 1 calc R U . . .
H40B H 0.5468 1.1881 0.1878 0.041 Uiso 1 1 calc R U . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'
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
C19 W1 C17 87.56(11) . . ?
C19 W1 C18 86.25(11) . . ?
C17 W1 C18 84.69(12) . . ?
C19 W1 C16 89.45(12) . . ?
C17 W1 C16 88.39(12) . . ?
C18 W1 C16 172.00(11) . . ?
C19 W1 N1 176.55(10) . . ?
C17 W1 N1 95.38(10) . . ?
C18 W1 N1 95.82(9) . . ?
C16 W1 N1 88.81(10) . . ?
C19 W1 N3 94.28(10) . . ?
C17 W1 N3 177.80(9) . . ?
C18 W1 N3 96.63(10) . . ?
C16 W1 N3 90.41(10) . . ?
N1 W1 N3 82.75(8) . . ?
C36 W2 C38 87.30(12) . . ?
C36 W2 C35 88.78(12) . . ?
C38 W2 C35 86.14(11) . . ?
C36 W2 C37 87.11(12) . . ?
C38 W2 C37 85.20(12) . . ?
C35 W2 C37 170.57(11) . . ?
C36 W2 N6 174.81(9) . . ?
C38 W2 N6 97.59(10) . . ?
C35 W2 N6 89.81(10) . . ?
C37 W2 N6 95.02(10) . . ?
C36 W2 N4 93.00(10) . . ?
C38 W2 N4 178.39(11) . . ?
C35 W2 N4 92.28(9) . . ?
C37 W2 N4 96.40(10) . . ?
N6 W2 N4 82.07(8) . . ?
C11 P1 C1 100.56(13) . . ?
C11 P1 C6 103.76(13) . . ?
C1 P1 C6 100.40(12) . . ?
C20 P2 C30 100.46(13) . . ?
C20 P2 C25 103.03(12) . . ?
C30 P2 C25 100.10(13) . . ?
C5 N1 C1 118.3(2) . . ?
C5 N1 W1 117.41(17) . . ?
C1 N1 W1 124.28(18) . . ?
C10 N2 C6 116.7(3) . . ?
C15 N3 C11 117.6(2) . . ?
C15 N3 W1 117.32(18) . . ?
C11 N3 W1 125.05(19) . . ?
C24 N4 C20 118.2(2) . . ?
C24 N4 W2 117.17(17) . . ?
C20 N4 W2 124.58(18) . . ?
C25 N5 C29 116.9(2) . . ?
C34 N6 C30 117.7(3) . . ?
C34 N6 W2 117.87(19) . . ?
C30 N6 W2 124.46(19) . . ?
N1 C1 C2 120.9(3) . . ?
N1 C1 P1 116.23(18) . . ?
C2 C1 P1 122.6(2) . . ?
C3 C2 C1 119.5(3) . . ?
C2 C3 C4 119.4(2) . . ?
C5 C4 C3 118.5(3) . . ?
N1 C5 C4 123.4(3) . . ?
N2 C6 C7 123.0(2) . . ?
N2 C6 P1 120.8(2) . . ?
C7 C6 P1 116.1(2) . . ?
C6 C7 C8 119.1(3) . . ?
C9 C8 C7 118.6(3) . . ?
C8 C9 C10 118.8(3) . . ?
N2 C10 C9 123.8(3) . . ?
N3 C11 C12 121.2(3) . . ?
N3 C11 P1 115.1(2) . . ?
C12 C11 P1 123.2(2) . . ?
C13 C12 C11 119.8(3) . . ?
C14 C13 C12 119.1(3) . . ?
C15 C14 C13 118.9(3) . . ?
N3 C15 C14 123.2(3) . . ?
O1 C16 W1 177.2(3) . . ?
O2 C17 W1 178.3(3) . . ?
O3 C18 W1 171.0(2) . . ?
O4 C19 W1 178.5(3) . . ?
N4 C20 C21 120.5(3) . . ?
N4 C20 P2 116.23(18) . . ?
C21 C20 P2 122.8(2) . . ?
C22 C21 C20 119.7(3) . . ?
C21 C22 C23 119.5(3) . . ?
C24 C23 C22 118.4(3) . . ?
N4 C24 C23 123.6(3) . . ?
N5 C25 C26 123.2(2) . . ?
N5 C25 P2 111.95(19) . . ?
C26 C25 P2 124.8(2) . . ?
C27 C26 C25 118.3(3) . . ?
C26 C27 C28 119.4(3) . . ?
C29 C28 C27 118.8(3) . . ?
N5 C29 C28 123.3(3) . . ?
N6 C30 C31 120.9(3) . . ?
N6 C30 P2 116.5(2) . . ?
C31 C30 P2 122.4(2) . . ?
C32 C31 C30 120.0(3) . . ?
C31 C32 C33 119.1(3) . . ?
C34 C33 C32 118.5(3) . . ?
N6 C34 C33 123.6(3) . . ?
O5 C35 W2 174.4(2) . . ?
O6 C36 W2 179.3(3) . . ?
O7 C37 W2 171.2(2) . . ?
O8 C38 W2 178.1(3) . . ?
Cl1 C39 Cl2 112.30(18) . . ?
Cl4 C40 Cl3 112.58(18) . . ?
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
W1 C19 1.952(3) . ?
W1 C17 1.955(3) . ?
W1 C18 2.032(3) . ?
W1 C16 2.057(3) . ?
W1 N1 2.274(2) . ?
W1 N3 2.274(2) . ?
W2 C36 1.957(3) . ?
W2 C38 1.960(3) . ?
W2 C35 2.041(3) . ?
W2 C37 2.041(3) . ?
W2 N6 2.268(2) . ?
W2 N4 2.277(2) . ?
Cl1 C39 1.758(3) . ?
Cl2 C39 1.773(3) . ?
Cl3 C40 1.772(3) . ?
Cl4 C40 1.748(3) . ?
P1 C11 1.835(3) . ?
P1 C1 1.837(3) . ?
P1 C6 1.842(3) . ?
P2 C20 1.841(3) . ?
P2 C30 1.845(3) . ?
P2 C25 1.848(3) . ?
O1 C16 1.142(4) . ?
O2 C17 1.170(3) . ?
O3 C18 1.151(3) . ?
O4 C19 1.173(3) . ?
O5 C35 1.146(4) . ?
O6 C36 1.169(3) . ?
O7 C37 1.146(4) . ?
O8 C38 1.169(3) . ?
N1 C5 1.351(3) . ?
N1 C1 1.356(3) . ?
N2 C10 1.348(3) . ?
N2 C6 1.349(3) . ?
N3 C15 1.360(4) . ?
N3 C11 1.369(3) . ?
N4 C24 1.345(3) . ?
N4 C20 1.360(3) . ?
N5 C25 1.345(4) . ?
N5 C29 1.352(4) . ?
N6 C34 1.355(4) . ?
N6 C30 1.361(3) . ?
C1 C2 1.398(4) . ?
C2 C3 1.379(4) . ?
C3 C4 1.384(4) . ?
C4 C5 1.369(4) . ?
C6 C7 1.388(4) . ?
C7 C8 1.388(4) . ?
C8 C9 1.379(4) . ?
C9 C10 1.384(4) . ?
C11 C12 1.393(4) . ?
C12 C13 1.384(4) . ?
C13 C14 1.384(4) . ?
C14 C15 1.375(4) . ?
C20 C21 1.402(4) . ?
C21 C22 1.373(4) . ?
C22 C23 1.380(4) . ?
C23 C24 1.371(4) . ?
C25 C26 1.398(4) . ?
C26 C27 1.378(4) . ?
C27 C28 1.381(4) . ?
C28 C29 1.380(4) . ?
C30 C31 1.395(4) . ?
C31 C32 1.380(4) . ?
C32 C33 1.380(4) . ?
C33 C34 1.374(4) . ?
