#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:57:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179163 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/24/4312400.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_4312400
loop_
_publ_author_name
'Andrew D. Burrows'
'Mary F. Mahon'
'Steven P. Nolan'
'Maurizio Varrone'
_publ_section_title
;
 Diphosphines Possessing Electronically Different Donor Groups: Synthesis
 and Coordination Chemistry of the Unsymmetrical
 Di(N-pyrrolyl)phosphino-Functionalized dppm Analogue Ph2PCH2P(NC4H4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7227
_journal_page_last               7238
_journal_paper_doi               10.1021/ic034487z
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C41 H50 Cl2 N2 P2 Ru2'
_chemical_formula_weight         905.81
_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                 114.1320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3300(3)
_cell_length_b                   12.0900(2)
_cell_length_c                   20.7670(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     3970.84(13)
_computing_data_reduction
'Denzo and Scalepack (otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       KappaCCD
_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  0.0766
_diffrn_reflns_av_sigmaI/netI    0.0816
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            68998
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.54
_exptl_absorpt_coefficient_mu    1.007
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.116
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.097
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.45(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     904
_refine_ls_number_reflns         17999
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0945
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc
 [1.00000+0.00000exp(0.00(sinθ/λ)²)]/
   [σ²(Fo²)+0.0000+3.7564*P+(0.0497P)²+0.0000sinθ/λ]
 where P = 0.00000Fo² + 1.00000Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1028
_refine_ls_wR_factor_ref         0.1186
_reflns_number_gt                12370
_reflns_number_total             17999
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034487zsi20030806_093646_7.cif
_cod_data_source_block           '_compound_8_(h01adb6a)'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'None' changed to
'none' according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        3970.83(12)
_cod_database_code               4312400
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.15618(3) 0.00016(5) 0.47499(3) 0.03787(15) Uani 1 1 d . . .
Ru2 Ru 0.23938(3) 0.21859(5) 0.39355(3) 0.03610(15) Uani 1 1 d . . .
Cl1 Cl 0.12908(11) 0.19705(17) 0.43873(9) 0.0402(4) Uani 1 1 d . . .
Cl2 Cl 0.25115(11) 0.01703(17) 0.41309(9) 0.0424(5) Uani 1 1 d . . .
P1 P 0.26519(11) 0.05642(17) 0.57684(9) 0.0315(4) Uani 1 1 d . . .
P2 P 0.33880(11) 0.23592(17) 0.50495(9) 0.0322(4) Uani 1 1 d . . .
N1 N 0.3342(4) 0.3491(6) 0.5548(3) 0.0474(17) Uani 1 1 d . . .
N2 N 0.4457(4) 0.2468(6) 0.5139(3) 0.0440(17) Uani 1 1 d . . .
C1 C 0.3563(4) 0.1225(7) 0.5683(3) 0.0302(15) Uani 1 1 d . . .
H1A H 0.3939 0.1508 0.6155 0.036 Uiso 1 1 calc R . .
H1B H 0.3879 0.0638 0.5561 0.036 Uiso 1 1 calc R . .
C2 C 0.2417(4) 0.1513(6) 0.6328(3) 0.0324(16) Uani 1 1 d . . .
C3 C 0.2999(5) 0.1944(8) 0.6960(4) 0.052(2) Uani 1 1 d . . .
H3 H 0.3581 0.1759 0.7125 0.062 Uiso 1 1 calc R . .
C4 C 0.2732(8) 0.2619(9) 0.7331(7) 0.085(4) Uani 1 1 d . . .
H4 H 0.3149 0.2859 0.7772 0.102 Uiso 1 1 calc R . .
C5 C 0.2033(8) 0.2962(9) 0.7180(6) 0.083(3) Uani 1 1 d . . .
H5 H 0.1908 0.3451 0.7483 0.099 Uiso 1 1 calc R . .
C6 C 0.1437(6) 0.2625(8) 0.6566(5) 0.063(3) Uani 1 1 d . . .
H6 H 0.0883 0.2921 0.6424 0.076 Uiso 1 1 calc R . .
C7 C 0.1577(5) 0.1865(6) 0.6120(4) 0.0417(19) Uani 1 1 d . . .
H7 H 0.1132 0.1602 0.5702 0.050 Uiso 1 1 calc R . .
C8 C 0.3233(4) -0.0509(7) 0.6391(3) 0.0362(17) Uani 1 1 d . . .
C9 C 0.3260(5) -0.0686(8) 0.7055(4) 0.052(2) Uani 1 1 d . . .
H9 H 0.2983 -0.0187 0.7244 0.062 Uiso 1 1 calc R . .
C10 C 0.3686(6) -0.1580(8) 0.7444(4) 0.059(2) Uani 1 1 d . . .
H10 H 0.3720 -0.1669 0.7909 0.070 Uiso 1 1 calc R . .
C11 C 0.4068(6) -0.2357(9) 0.7183(6) 0.070(3) Uani 1 1 d . . .
H11 H 0.4332 -0.2992 0.7453 0.084 Uiso 1 1 calc R . .
C12 C 0.4059(6) -0.2206(9) 0.6573(6) 0.071(3) Uani 1 1 d . . .
H12 H 0.4331 -0.2727 0.6393 0.085 Uiso 1 1 calc R . .
C13 C 0.3668(5) -0.1309(7) 0.6172(4) 0.0452(19) Uani 1 1 d . . .
H13 H 0.3689 -0.1221 0.5726 0.054 Uiso 1 1 calc R . .
C14 C 0.2645(6) 0.4216(7) 0.5319(4) 0.057(2) Uani 1 1 d . . .
H14 H 0.2163 0.4171 0.4883 0.069 Uiso 1 1 calc R . .
C15 C 0.2783(10) 0.5013(11) 0.5842(7) 0.122(5) Uani 1 1 d . . .
H15 H 0.2418 0.5606 0.5830 0.146 Uiso 1 1 calc R . .
C16 C 0.3672(8) 0.4730(9) 0.6457(6) 0.080(3) Uani 1 1 d . . .
H16 H 0.3959 0.5111 0.6891 0.096 Uiso 1 1 calc R . .
C17 C 0.3927(6) 0.3798(9) 0.6212(4) 0.058(2) Uani 1 1 d . . .
H17 H 0.4440 0.3414 0.6468 0.070 Uiso 1 1 calc R . .
C18 C 0.4992(6) 0.3343(9) 0.5338(4) 0.065(3) Uani 1 1 d . . .
H18 H 0.4852 0.4036 0.5478 0.078 Uiso 1 1 calc R . .
C19 C 0.5756(7) 0.3121(12) 0.5316(5) 0.092(4) Uani 1 1 d . . .
H19 H 0.6226 0.3601 0.5424 0.111 Uiso 1 1 calc R . .
C20 C 0.5671(7) 0.1921(13) 0.5079(6) 0.094(4) Uani 1 1 d . . .
H20 H 0.6088 0.1482 0.5015 0.113 Uiso 1 1 calc R . .
C21 C 0.4846(5) 0.1590(9) 0.4973(5) 0.060(3) Uani 1 1 d . . .
H21 H 0.4602 0.0883 0.4815 0.072 Uiso 1 1 calc R . .
C22 C 0.0510(6) -0.0607(9) 0.4949(6) 0.072(3) Uani 1 1 d . . .
C23 C 0.1120(6) -0.1394(10) 0.5163(5) 0.077(3) Uani 1 1 d . . .
C24 C 0.1291(6) -0.1741(7) 0.4608(5) 0.057(3) Uani 1 1 d . . .
C25 C 0.0759(6) -0.1195(9) 0.3982(4) 0.072(3) Uani 1 1 d . . .
C26 C 0.0248(5) -0.0459(8) 0.4213(7) 0.079(3) Uani 1 1 d . . .
C27 C 0.0015(6) -0.0149(9) 0.5371(7) 0.106(4) Uani 1 1 d . . .
H27A H -0.0434 -0.0670 0.5337 0.159 Uiso 1 1 calc R . .
H27B H -0.0236 0.0567 0.5175 0.159 Uiso 1 1 calc R . .
H27C H 0.0403 -0.0056 0.5867 0.159 Uiso 1 1 calc R . .
C28 C 0.1525(7) -0.1932(8) 0.5897(5) 0.107(4) Uani 1 1 d . . .
H28A H 0.1650 -0.1361 0.6261 0.160 Uiso 1 1 calc R . .
H28B H 0.2050 -0.2305 0.5951 0.160 Uiso 1 1 calc R . .
H28C H 0.1132 -0.2474 0.5948 0.160 Uiso 1 1 calc R . .
C29 C 0.1909(6) -0.2599(8) 0.4582(8) 0.135(6) Uani 1 1 d . . .
H29A H 0.2350 -0.2713 0.5057 0.202 Uiso 1 1 calc R . .
H29B H 0.2167 -0.2346 0.4267 0.202 Uiso 1 1 calc R . .
H29C H 0.1610 -0.3298 0.4404 0.202 Uiso 1 1 calc R . .
C30 C 0.0692(6) -0.1294(9) 0.3238(5) 0.092(3) Uani 1 1 d . . .
H30A H 0.1259 -0.1360 0.3246 0.138 Uiso 1 1 calc R . .
H30B H 0.0413 -0.0635 0.2969 0.138 Uiso 1 1 calc R . .
H30C H 0.0360 -0.1952 0.3015 0.138 Uiso 1 1 calc R . .
C31 C -0.0449(5) 0.0293(8) 0.3702(7) 0.105(4) Uani 1 1 d . . .
H31A H -0.1003 0.0019 0.3651 0.157 Uiso 1 1 calc R . .
H31B H -0.0420 0.0291 0.3241 0.157 Uiso 1 1 calc R . .
H31C H -0.0368 0.1049 0.3889 0.157 Uiso 1 1 calc R . .
C32 C 0.1521(6) 0.2648(11) 0.2863(4) 0.076(3) Uani 1 1 d . . .
C33 C 0.1854(6) 0.3549(8) 0.3264(4) 0.066(2) Uani 1 1 d . . .
C34 C 0.2734(7) 0.3552(10) 0.3448(4) 0.075(3) Uani 1 1 d . . .
C35 C 0.2941(5) 0.2541(11) 0.3210(5) 0.068(3) Uani 1 1 d . . .
C36 C 0.2197(7) 0.1991(9) 0.2828(4) 0.067(3) Uani 1 1 d . . .
C37 C 0.1304(8) 0.4473(9) 0.3369(5) 0.108(4) Uani 1 1 d . . .
H37A H 0.0829 0.4630 0.2918 0.162 Uiso 1 1 calc R . .
H37B H 0.1646 0.5143 0.3540 0.162 Uiso 1 1 calc R . .
H37C H 0.1088 0.4233 0.3715 0.162 Uiso 1 1 calc R . .
C38 C 0.3345(9) 0.4500(11) 0.3817(5) 0.180(9) Uani 1 1 d . . .
H38A H 0.3211 0.4796 0.4198 0.271 Uiso 1 1 calc R . .
H38B H 0.3286 0.5087 0.3474 0.271 Uiso 1 1 calc R . .
H38C H 0.3927 0.4221 0.4012 0.271 Uiso 1 1 calc R . .
C39 C 0.3813(8) 0.2297(19) 0.3266(7) 0.225(12) Uani 1 1 d . . .
H39A H 0.3918 0.1499 0.3326 0.338 Uiso 1 1 calc R . .
H39B H 0.4229 0.2689 0.3673 0.338 Uiso 1 1 calc R . .
H39C H 0.3863 0.2542 0.2835 0.338 Uiso 1 1 calc R . .
C40 C 0.2113(14) 0.0930(13) 0.2456(6) 0.203(10) Uani 1 1 d . . .
H40A H 0.1527 0.0672 0.2285 0.305 Uiso 1 1 calc R . .
H40B H 0.2490 0.0382 0.2780 0.305 Uiso 1 1 calc R . .
H40C H 0.2267 0.1032 0.2055 0.305 Uiso 1 1 calc R . .
C41 C 0.0575(6) 0.2241(12) 0.2513(6) 0.138(6) Uani 1 1 d . . .
H41A H 0.0333 0.2254 0.2865 0.206 Uiso 1 1 calc R . .
H41B H 0.0556 0.1485 0.2337 0.206 Uiso 1 1 calc R . .
H41C H 0.0248 0.2732 0.2120 0.206 Uiso 1 1 calc R . .
Ru1A Ru 0.34221(3) 0.85715(5) 0.03753(3) 0.03783(15) Uani 1 1 d . . .
Ru2A Ru 0.25227(4) 0.63514(5) 0.11042(3) 0.03851(16) Uani 1 1 d . . .
Cl1A Cl 0.24356(12) 0.83862(17) 0.09579(9) 0.0424(5) Uani 1 1 d . . .
Cl2A Cl 0.36542(11) 0.65882(16) 0.06937(9) 0.0420(5) Uani 1 1 d . . .
P1A P 0.23587(12) 0.80330(17) -0.06803(9) 0.0325(4) Uani 1 1 d . . .
P2A P 0.15463(11) 0.62447(18) -0.00146(9) 0.0337(4) Uani 1 1 d . . .
N1A N 0.1559(4) 0.5133(6) -0.0539(3) 0.0471(17) Uani 1 1 d . . .
N2A N 0.0488(4) 0.6196(7) -0.0125(3) 0.0480(17) Uani 1 1 d . . .
C1A C 0.1418(4) 0.7413(6) -0.0617(3) 0.0336(17) Uani 1 1 d . . .
H1A1 H 0.1123 0.8010 -0.0481 0.040 Uiso 1 1 calc R . .
H1A2 H 0.1035 0.7168 -0.1096 0.040 Uiso 1 1 calc R . .
C2A C 0.1813(4) 0.9113(6) -0.1313(3) 0.0314(16) Uani 1 1 d . . .
C3A C 0.1341(5) 0.9871(7) -0.1121(4) 0.0434(19) Uani 1 1 d . . .
H3A H 0.1304 0.9789 -0.0679 0.052 Uiso 1 1 calc R . .
C4A C 0.0922(6) 1.0743(8) -0.1557(5) 0.062(3) Uani 1 1 d . . .
H4A H 0.0588 1.1241 -0.1425 0.074 Uiso 1 1 calc R . .
C5A C 0.1001(6) 1.0865(10) -0.2163(5) 0.078(3) Uani 1 1 d . . .
H5A H 0.0709 1.1451 -0.2471 0.093 Uiso 1 1 calc R . .
C6A C 0.1482(6) 1.0182(8) -0.2353(4) 0.062(3) Uani 1 1 d . . .
H6A H 0.1553 1.0324 -0.2775 0.075 Uiso 1 1 calc R . .
C7A C 0.1878(5) 0.9270(7) -0.1942(4) 0.051(2) Uani 1 1 d . . .
H7A H 0.2188 0.8766 -0.2095 0.061 Uiso 1 1 calc R . .
C8A C 0.2649(4) 0.7052(6) -0.1214(3) 0.0343(16) Uani 1 1 d . . .
C9A C 0.3480(5) 0.6723(6) -0.0976(4) 0.045(2) Uani 1 1 d . . .
H9A H 0.3877 0.6966 -0.0528 0.054 Uiso 1 1 calc R . .
C10A C 0.3739(7) 0.6064(8) -0.1371(5) 0.068(3) Uani 1 1 d . . .
H10A H 0.4323 0.5892 -0.1206 0.082 Uiso 1 1 calc R . .
C11A C 0.3232(9) 0.5666(10) -0.1953(8) 0.100(4) Uani 1 1 d . . .
H11A H 0.3443 0.5189 -0.2207 0.120 Uiso 1 1 calc R . .
C12A C 0.2367(8) 0.5911(10) -0.2232(6) 0.090(4) Uani 1 1 d . . .
H12A H 0.1986 0.5596 -0.2664 0.108 Uiso 1 1 calc R . .
C13A C 0.2086(5) 0.6644(7) -0.1845(4) 0.052(2) Uani 1 1 d . . .
H13A H 0.1507 0.6854 -0.2023 0.063 Uiso 1 1 calc R . .
C14A C 0.0986(6) 0.4854(8) -0.1215(4) 0.052(2) Uani 1 1 d . . .
H14A H 0.0483 0.5254 -0.1477 0.062 Uiso 1 1 calc R . .
C15A C 0.1228(6) 0.3972(8) -0.1443(5) 0.060(2) Uani 1 1 d . . .
H15A H 0.0933 0.3606 -0.1881 0.072 Uiso 1 1 calc R . .
C16A C 0.2045(6) 0.3660(9) -0.0888(4) 0.068(2) Uani 1 1 d . . .
H16A H 0.2387 0.3053 -0.0902 0.081 Uiso 1 1 calc R . .
C17A C 0.2231(6) 0.4414(7) -0.0335(4) 0.050(2) Uani 1 1 d . . .
H17A H 0.2724 0.4427 0.0095 0.060 Uiso 1 1 calc R . .
C18A C -0.0128(6) 0.5355(8) -0.0400(4) 0.060(2) Uani 1 1 d . . .
H18A H -0.0052 0.4659 -0.0578 0.072 Uiso 1 1 calc R . .
C19A C -0.0871(6) 0.5740(11) -0.0362(4) 0.079(3) Uani 1 1 d . . .
H19A H -0.1399 0.5366 -0.0527 0.094 Uiso 1 1 calc R . .
C20A C -0.0680(6) 0.6832(12) -0.0016(6) 0.089(4) Uani 1 1 d . . .
H20A H -0.1057 0.7287 0.0094 0.106 Uiso 1 1 calc R . .
C21A C 0.0143(6) 0.7065(9) 0.0116(5) 0.061(2) Uani 1 1 d . . .
H21A H 0.0436 0.7719 0.0337 0.073 Uiso 1 1 calc R . .
C22A C 0.4586(6) 0.9166(9) 0.1195(4) 0.068(3) Uani 1 1 d . . .
C23A C 0.4044(6) 0.9980(11) 0.1054(5) 0.073(3) Uani 1 1 d . . .
C24A C 0.3707(5) 1.0282(8) 0.0348(5) 0.055(2) Uani 1 1 d . . .
C25A C 0.4157(7) 0.9635(9) 0.0013(4) 0.081(4) Uani 1 1 d . . .
C26A C 0.4714(5) 0.8905(8) 0.0585(7) 0.075(3) Uani 1 1 d . . .
C27A C 0.5030(6) 0.8565(11) 0.1901(5) 0.127(5) Uani 1 1 d . . .
H27D H 0.5504 0.9014 0.2217 0.191 Uiso 1 1 calc R . .
H27E H 0.5242 0.7849 0.1821 0.191 Uiso 1 1 calc R . .
H27F H 0.4628 0.8446 0.2116 0.191 Uiso 1 1 calc R . .
C28A C 0.3751(8) 1.0507(10) 0.1579(6) 0.122(5) Uani 1 1 d . . .
H28D H 0.3834 0.9986 0.1963 0.184 Uiso 1 1 calc R . .
H28E H 0.3151 1.0697 0.1341 0.184 Uiso 1 1 calc R . .
H28F H 0.4081 1.1180 0.1773 0.184 Uiso 1 1 calc R . .
C29A C 0.3150(7) 1.1273(10) 0.0010(9) 0.141(6) Uani 1 1 d . . .
H29D H 0.2784 1.1428 0.0255 0.211 Uiso 1 1 calc R . .
H29E H 0.2801 1.1113 -0.0488 0.211 Uiso 1 1 calc R . .
H29F H 0.3507 1.1919 0.0044 0.211 Uiso 1 1 calc R . .
C30A C 0.4126(9) 0.9741(12) -0.0724(6) 0.146(6) Uani 1 1 d . . .
H30D H 0.3603 1.0117 -0.1029 0.218 Uiso 1 1 calc R . .
H30E H 0.4142 0.9003 -0.0914 0.218 Uiso 1 1 calc R . .
H30F H 0.4614 1.0172 -0.0707 0.218 Uiso 1 1 calc R . .
C31A C 0.5330(5) 0.8096(9) 0.0493(8) 0.136(6) Uani 1 1 d . . .
H31D H 0.5909 0.8366 0.0749 0.205 Uiso 1 1 calc R . .
H31E H 0.5208 0.8027 -0.0010 0.205 Uiso 1 1 calc R . .
H31F H 0.5270 0.7371 0.0679 0.205 Uiso 1 1 calc R . .
C32A C 0.3354(6) 0.5518(14) 0.2072(5) 0.104(6) Uani 1 1 d . . .
C33A C 0.2975(7) 0.6389(9) 0.2253(4) 0.067(3) Uani 1 1 d . . .
C34A C 0.2082(7) 0.6202(9) 0.1930(4) 0.066(3) Uani 1 1 d . . .
C35A C 0.1925(6) 0.5248(8) 0.1597(4) 0.058(2) Uani 1 1 d . . .
C36A C 0.2692(8) 0.4768(8) 0.1634(4) 0.074(3) Uani 1 1 d . . .
C37A C 0.4289(6) 0.5345(12) 0.2310(5) 0.115(5) Uani 1 1 d . . .
H37D H 0.4401 0.5036 0.1920 0.172 Uiso 1 1 calc R . .
H37E H 0.4493 0.4832 0.2710 0.172 Uiso 1 1 calc R . .
H37F H 0.4582 0.6055 0.2454 0.172 Uiso 1 1 calc R . .
C38A C 0.3363(10) 0.7433(12) 0.2706(5) 0.157(8) Uani 1 1 d . . .
H38D H 0.3573 0.7243 0.3207 0.236 Uiso 1 1 calc R . .
H38E H 0.2930 0.8009 0.2594 0.236 Uiso 1 1 calc R . .
H38F H 0.3833 0.7705 0.2602 0.236 Uiso 1 1 calc R . .
C39A C 0.1430(8) 0.6963(8) 0.2038(6) 0.097(4) Uani 1 1 d . . .
H39D H 0.0864 0.6798 0.1679 0.146 Uiso 1 1 calc R . .
H39E H 0.1570 0.7737 0.1996 0.146 Uiso 1 1 calc R . .
H39F H 0.1442 0.6835 0.2508 0.146 Uiso 1 1 calc R . .
C40A C 0.1081(6) 0.4653(8) 0.1287(5) 0.079(3) Uani 1 1 d . . .
H40D H 0.1016 0.4200 0.1654 0.118 Uiso 1 1 calc R . .
H40E H 0.1059 0.4176 0.0899 0.118 Uiso 1 1 calc R . .
H40F H 0.0623 0.5197 0.1110 0.118 Uiso 1 1 calc R . .
C41A C 0.2834(7) 0.3616(7) 0.1407(5) 0.090(3) Uani 1 1 d . . .
H41D H 0.2870 0.3079 0.1772 0.135 Uiso 1 1 calc R . .
H41E H 0.3361 0.3606 0.1340 0.135 Uiso 1 1 calc R . .
H41F H 0.2361 0.3420 0.0963 0.135 Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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
C24 Ru1 C26 63.4(3) . . ?
C24 Ru1 C22 62.5(4) . . ?
C26 Ru1 C22 38.3(4) . . ?
C24 Ru1 C23 36.9(4) . . ?
C26 Ru1 C23 62.3(4) . . ?
C22 Ru1 C23 36.5(4) . . ?
C24 Ru1 C25 38.0(4) . . ?
C26 Ru1 C25 39.5(4) . . ?
C22 Ru1 C25 65.0(4) . . ?
C23 Ru1 C25 63.3(4) . . ?
C24 Ru1 P1 118.0(3) . . ?
C26 Ru1 P1 148.4(4) . . ?
C22 Ru1 P1 111.5(3) . . ?
C23 Ru1 P1 99.0(2) . . ?
C25 Ru1 P1 155.7(3) . . ?
C24 Ru1 Cl2 99.4(3) . . ?
C26 Ru1 Cl2 122.5(4) . . ?
C22 Ru1 Cl2 157.1(3) . . ?
C23 Ru1 Cl2 133.3(4) . . ?
C25 Ru1 Cl2 92.1(3) . . ?
P1 Ru1 Cl2 89.00(6) . . ?
C24 Ru1 Cl1 153.3(3) . . ?
C26 Ru1 Cl1 93.5(2) . . ?
C22 Ru1 Cl1 108.4(3) . . ?
C23 Ru1 Cl1 144.3(3) . . ?
C25 Ru1 Cl1 115.4(3) . . ?
P1 Ru1 Cl1 88.72(7) . . ?
Cl2 Ru1 Cl1 81.20(7) . . ?
C33 Ru2 C35 65.2(4) . . ?
C33 Ru2 C34 38.8(4) . . ?
C35 Ru2 C34 38.8(4) . . ?
C33 Ru2 C32 36.5(4) . . ?
C35 Ru2 C32 63.3(3) . . ?
C34 Ru2 C32 62.1(3) . . ?
C33 Ru2 C36 63.6(4) . . ?
C35 Ru2 C36 37.1(4) . . ?
C34 Ru2 C36 62.8(4) . . ?
C32 Ru2 C36 38.4(4) . . ?
C33 Ru2 P2 123.3(3) . . ?
C35 Ru2 P2 109.4(3) . . ?
C34 Ru2 P2 99.8(2) . . ?
C32 Ru2 P2 159.6(3) . . ?
C36 Ru2 P2 144.0(3) . . ?
C33 Ru2 Cl1 97.5(3) . . ?
C35 Ru2 Cl1 158.7(2) . . ?
C34 Ru2 Cl1 131.9(4) . . ?
C32 Ru2 Cl1 95.4(2) . . ?
C36 Ru2 Cl1 125.1(3) . . ?
P2 Ru2 Cl1 90.31(6) . . ?
C33 Ru2 Cl2 149.8(3) . . ?
C35 Ru2 Cl2 106.6(3) . . ?
C34 Ru2 Cl2 145.1(4) . . ?
C32 Ru2 Cl2 113.3(4) . . ?
C36 Ru2 Cl2 91.9(3) . . ?
P2 Ru2 Cl2 86.90(7) . . ?
Cl1 Ru2 Cl2 81.82(7) . . ?
Ru2 Cl1 Ru1 97.86(7) . . ?
Ru2 Cl2 Ru1 97.99(7) . . ?
C2 P1 C8 101.6(3) . . ?
C2 P1 C1 102.5(3) . . ?
C8 P1 C1 97.5(3) . . ?
C2 P1 Ru1 117.9(2) . . ?
C8 P1 Ru1 117.0(3) . . ?
C1 P1 Ru1 117.1(2) . . ?
N1 P2 N2 100.2(3) . . ?
N1 P2 C1 101.3(3) . . ?
N2 P2 C1 96.9(3) . . ?
N1 P2 Ru2 118.8(2) . . ?
N2 P2 Ru2 115.9(2) . . ?
C1 P2 Ru2 119.8(2) . . ?
C17 N1 C14 110.2(7) . . ?
C17 N1 P2 127.6(6) . . ?
C14 N1 P2 122.1(5) . . ?
C18 N2 C21 109.6(7) . . ?
C18 N2 P2 129.8(7) . . ?
C21 N2 P2 120.6(6) . . ?
P2 C1 P1 119.7(4) . . ?
C3 C2 C7 115.9(7) . . ?
C3 C2 P1 125.6(6) . . ?
C7 C2 P1 118.5(5) . . ?
C4 C3 C2 119.2(9) . . ?
C5 C4 C3 128.1(13) . . ?
C4 C5 C6 116.8(12) . . ?
C5 C6 C7 123.9(10) . . ?
C6 C7 C2 115.9(8) . . ?
C9 C8 C13 114.3(7) . . ?
C9 C8 P1 127.3(6) . . ?
C13 C8 P1 118.3(5) . . ?
C10 C9 C8 120.1(8) . . ?
C9 C10 C11 122.3(8) . . ?
C12 C11 C10 118.7(10) . . ?
C11 C12 C13 121.3(11) . . ?
C12 C13 C8 123.1(8) . . ?
C15 C14 N1 108.4(9) . . ?
C14 C15 C16 106.2(10) . . ?
C17 C16 C15 103.3(9) . . ?
N1 C17 C16 111.8(9) . . ?
N2 C18 C19 112.8(11) . . ?
C18 C19 C20 103.3(10) . . ?
C21 C20 C19 106.2(10) . . ?
N2 C21 C20 108.0(10) . . ?
C23 C22 C26 107.8(9) . . ?
C23 C22 C27 126.9(11) . . ?
C26 C22 C27 123.7(10) . . ?
C23 C22 Ru1 72.2(6) . . ?
C26 C22 Ru1 70.9(5) . . ?
C27 C22 Ru1 133.6(7) . . ?
C22 C23 C24 110.3(9) . . ?
C22 C23 C28 126.9(11) . . ?
C24 C23 C28 122.5(11) . . ?
C22 C23 Ru1 71.3(6) . . ?
C24 C23 Ru1 70.8(5) . . ?
C28 C23 Ru1 129.0(6) . . ?
C23 C24 C25 110.3(9) . . ?
C23 C24 C29 130.0(11) . . ?
C25 C24 C29 119.7(10) . . ?
C23 C24 Ru1 72.2(6) . . ?
C25 C24 Ru1 72.1(5) . . ?
C29 C24 Ru1 124.1(7) . . ?
C24 C25 C26 103.7(8) . . ?
C24 C25 C30 130.9(10) . . ?
C26 C25 C30 125.4(10) . . ?
C24 C25 Ru1 69.9(5) . . ?
C26 C25 Ru1 69.5(5) . . ?
C30 C25 Ru1 124.1(7) . . ?
C22 C26 C25 107.8(8) . . ?
C22 C26 C31 129.3(11) . . ?
C25 C26 C31 122.9(12) . . ?
C22 C26 Ru1 70.8(5) . . ?
C25 C26 Ru1 71.1(4) . . ?
C31 C26 Ru1 124.7(6) . . ?
C33 C32 C36 108.9(8) . . ?
C33 C32 C41 129.7(11) . . ?
C36 C32 C41 121.2(12) . . ?
C33 C32 Ru2 68.6(4) . . ?
C36 C32 Ru2 70.9(5) . . ?
C41 C32 Ru2 123.0(7) . . ?
C32 C33 C34 108.1(9) . . ?
C32 C33 C37 122.6(10) . . ?
C34 C33 C37 128.5(11) . . ?
C32 C33 Ru2 75.0(6) . . ?
C34 C33 Ru2 71.7(5) . . ?
C37 C33 Ru2 127.2(6) . . ?
C33 C34 C35 107.6(8) . . ?
C33 C34 C38 125.8(13) . . ?
C35 C34 C38 126.6(12) . . ?
C33 C34 Ru2 69.5(5) . . ?
C35 C34 Ru2 69.9(5) . . ?
C38 C34 Ru2 127.4(5) . . ?
C36 C35 C34 107.9(8) . . ?
C36 C35 C39 128.7(14) . . ?
C34 C35 C39 122.3(13) . . ?
C36 C35 Ru2 74.2(5) . . ?
C34 C35 Ru2 71.2(5) . . ?
C39 C35 Ru2 129.3(6) . . ?
C35 C36 C32 107.0(9) . . ?
C35 C36 C40 126.3(13) . . ?
C32 C36 C40 126.7(13) . . ?
C35 C36 Ru2 68.6(4) . . ?
C32 C36 Ru2 70.7(4) . . ?
C40 C36 Ru2 125.6(7) . . ?
C24A Ru1A C26A 65.7(4) . . ?
C24A Ru1A C25A 40.0(4) . . ?
C26A Ru1A C25A 40.3(4) . . ?
C24A Ru1A C22A 63.1(4) . . ?
C26A Ru1A C22A 38.2(4) . . ?
C25A Ru1A C22A 65.3(3) . . ?
C24A Ru1A C23A 37.4(4) . . ?
C26A Ru1A C23A 61.5(4) . . ?
C25A Ru1A C23A 63.5(3) . . ?
C22A Ru1A C23A 34.9(4) . . ?
C24A Ru1A P1A 110.6(2) . . ?
C26A Ru1A P1A 127.6(3) . . ?
C25A Ru1A P1A 101.2(2) . . ?
C22A Ru1A P1A 165.4(3) . . ?
C23A Ru1A P1A 145.3(3) . . ?
C24A Ru1A Cl1A 108.3(3) . . ?
C26A Ru1A Cl1A 142.4(3) . . ?
C25A Ru1A Cl1A 148.4(3) . . ?
C22A Ru1A Cl1A 104.7(3) . . ?
C23A Ru1A Cl1A 90.7(3) . . ?
P1A Ru1A Cl1A 89.77(6) . . ?
C24A Ru1A Cl2A 158.8(2) . . ?
C26A Ru1A Cl2A 94.9(3) . . ?
C25A Ru1A Cl2A 128.1(4) . . ?
C22A Ru1A Cl2A 96.6(3) . . ?
C23A Ru1A Cl2A 126.7(3) . . ?
P1A Ru1A Cl2A 87.70(7) . . ?
Cl1A Ru1A Cl2A 81.44(7) . . ?
C34A Ru2A C36A 62.6(4) . . ?
C34A Ru2A C32A 62.8(4) . . ?
C36A Ru2A C32A 39.1(5) . . ?
C34A Ru2A C35A 35.3(3) . . ?
C36A Ru2A C35A 38.2(3) . . ?
C32A Ru2A C35A 63.1(4) . . ?
C34A Ru2A C33A 38.5(4) . . ?
C36A Ru2A C33A 63.3(4) . . ?
C32A Ru2A C33A 36.6(4) . . ?
C35A Ru2A C33A 61.9(3) . . ?
C34A Ru2A P2A 117.1(3) . . ?
C36A Ru2A P2A 111.2(3) . . ?
C32A Ru2A P2A 149.2(5) . . ?
C35A Ru2A P2A 98.5(2) . . ?
C33A Ru2A P2A 155.6(3) . . ?
C34A Ru2A Cl2A 151.8(3) . . ?
C36A Ru2A Cl2A 108.5(3) . . ?
C32A Ru2A Cl2A 93.0(2) . . ?
C35A Ru2A Cl2A 146.5(3) . . ?
C33A Ru2A Cl2A 113.3(3) . . ?
P2A Ru2A Cl2A 91.05(6) . . ?
C34A Ru2A Cl1A 99.1(3) . . ?
C36A Ru2A Cl1A 158.3(2) . . ?
C32A Ru2A Cl1A 123.8(5) . . ?
C35A Ru2A Cl1A 130.4(3) . . ?
C33A Ru2A Cl1A 95.2(3) . . ?
P2A Ru2A Cl1A 87.01(7) . . ?
Cl2A Ru2A Cl1A 81.88(7) . . ?
Ru1A Cl1A Ru2A 97.48(7) . . ?
Ru2A Cl2A Ru1A 98.06(7) . . ?
C2A P1A C8A 102.6(3) . . ?
C2A P1A C1A 97.4(3) . . ?
C8A P1A C1A 104.4(3) . . ?
C2A P1A Ru1A 117.5(2) . . ?
C8A P1A Ru1A 116.6(2) . . ?
C1A P1A Ru1A 115.6(2) . . ?
N1A P2A N2A 100.0(4) . . ?
N1A P2A C1A 101.3(3) . . ?
N2A P2A C1A 96.2(3) . . ?
N1A P2A Ru2A 119.7(2) . . ?
N2A P2A Ru2A 116.2(2) . . ?
C1A P2A Ru2A 119.3(2) . . ?
C17A N1A C14A 108.8(7) . . ?
C17A N1A P2A 121.5(5) . . ?
C14A N1A P2A 129.4(6) . . ?
C21A N2A C18A 108.8(7) . . ?
C21A N2A P2A 120.3(6) . . ?
C18A N2A P2A 130.8(7) . . ?
P2A C1A P1A 119.7(4) . . ?
C7A C2A C3A 118.0(7) . . ?
C7A C2A P1A 124.6(6) . . ?
C3A C2A P1A 117.3(5) . . ?
C2A C3A C4A 121.7(7) . . ?
C5A C4A C3A 118.3(9) . . ?
C4A C5A C6A 121.8(10) . . ?
C5A C6A C7A 121.2(8) . . ?
C2A C7A C6A 118.9(8) . . ?
C13A C8A C9A 118.2(7) . . ?
C13A C8A P1A 123.3(6) . . ?
C9A C8A P1A 118.5(5) . . ?
C10A C9A C8A 120.9(8) . . ?
C11A C10A C9A 122.3(11) . . ?
C10A C11A C12A 121.6(10) . . ?
C11A C12A C13A 117.2(10) . . ?
C8A C13A C12A 119.7(9) . . ?
C15A C14A N1A 111.3(9) . . ?
C14A C15A C16A 106.0(8) . . ?
C17A C16A C15A 107.6(8) . . ?
N1A C17A C16A 106.1(7) . . ?
C19A C18A N2A 107.3(9) . . ?
C18A C19A C20A 107.2(7) . . ?
C21A C20A C19A 106.9(10) . . ?
C20A C21A N2A 109.7(10) . . ?
C23A C22A C26A 109.2(9) . . ?
C23A C22A C27A 127.3(10) . . ?
C26A C22A C27A 123.5(11) . . ?
C23A C22A Ru1A 73.7(6) . . ?
C26A C22A Ru1A 69.9(5) . . ?
C27A C22A Ru1A 122.5(6) . . ?
C22A C23A C24A 113.0(9) . . ?
C22A C23A C28A 125.0(11) . . ?
C24A C23A C28A 121.9(12) . . ?
C22A C23A Ru1A 71.3(6) . . ?
C24A C23A Ru1A 69.0(6) . . ?
C28A C23A Ru1A 124.5(6) . . ?
C23A C24A C25A 106.6(9) . . ?
C23A C24A C29A 127.7(11) . . ?
C25A C24A C29A 124.1(10) . . ?
C23A C24A Ru1A 73.7(6) . . ?
C25A C24A Ru1A 70.7(5) . . ?
C29A C24A Ru1A 131.9(7) . . ?
C24A C25A C26A 103.6(7) . . ?
C24A C25A C30A 129.0(12) . . ?
C26A C25A C30A 127.2(12) . . ?
C24A C25A Ru1A 69.3(5) . . ?
C26A C25A Ru1A 69.4(5) . . ?
C30A C25A Ru1A 128.5(6) . . ?
C22A C26A C25A 107.4(8) . . ?
C22A C26A C31A 129.5(12) . . ?
C25A C26A C31A 123.0(12) . . ?
C22A C26A Ru1A 71.9(5) . . ?
C25A C26A Ru1A 70.3(5) . . ?
C31A C26A Ru1A 125.8(6) . . ?
C33A C32A C36A 107.8(8) . . ?
C33A C32A C37A 126.1(15) . . ?
C36A C32A C37A 126.0(15) . . ?
C33A C32A Ru2A 71.9(5) . . ?
C36A C32A Ru2A 69.9(5) . . ?
C37A C32A Ru2A 125.8(6) . . ?
C32A C33A C34A 107.3(9) . . ?
C32A C33A C38A 130.7(12) . . ?
C34A C33A C38A 122.0(12) . . ?
C32A C33A Ru2A 71.5(5) . . ?
C34A C33A Ru2A 69.4(4) . . ?
C38A C33A Ru2A 123.4(6) . . ?
C35A C34A C33A 109.8(9) . . ?
C35A C34A C39A 126.3(10) . . ?
C33A C34A C39A 123.6(10) . . ?
C35A C34A Ru2A 73.7(5) . . ?
C33A C34A Ru2A 72.1(5) . . ?
C39A C34A Ru2A 125.9(6) . . ?
C34A C35A C36A 109.9(9) . . ?
C34A C35A C40A 126.6(9) . . ?
C36A C35A C40A 123.1(9) . . ?
C34A C35A Ru2A 70.9(5) . . ?
C36A C35A Ru2A 70.3(5) . . ?
C40A C35A Ru2A 130.7(5) . . ?
C35A C36A C32A 105.1(10) . . ?
C35A C36A C41A 128.5(11) . . ?
C32A C36A C41A 125.3(12) . . ?
C35A C36A Ru2A 71.5(6) . . ?
C32A C36A Ru2A 71.0(6) . . ?
C41A C36A Ru2A 131.0(6) . . ?
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
Ru1 C24 2.152(9) . ?
Ru1 C26 2.159(8) . ?
Ru1 C22 2.158(9) . ?
Ru1 C23 2.170(10) . ?
Ru1 C25 2.181(8) . ?
Ru1 P1 2.2888(19) . ?
Ru1 Cl2 2.4763(19) . ?
Ru1 Cl1 2.483(2) . ?
Ru2 C33 2.114(8) . ?
Ru2 C35 2.125(8) . ?
Ru2 C34 2.142(9) . ?
Ru2 C32 2.193(8) . ?
Ru2 C36 2.196(7) . ?
Ru2 P2 2.2596(17) . ?
Ru2 Cl1 2.4635(18) . ?
Ru2 Cl2 2.465(2) . ?
P1 C2 1.793(7) . ?
P1 C8 1.818(7) . ?
P1 C1 1.841(6) . ?
P2 N1 1.737(7) . ?
P2 N2 1.790(6) . ?
P2 C1 1.838(7) . ?
N1 C17 1.388(10) . ?
N1 C14 1.409(11) . ?
N2 C18 1.354(11) . ?
N2 C21 1.375(11) . ?
C2 C3 1.390(10) . ?
C2 C7 1.405(9) . ?
C3 C4 1.330(12) . ?
C4 C5 1.194(14) . ?
C5 C6 1.336(14) . ?
C6 C7 1.394(11) . ?
C8 C9 1.376(10) . ?
C8 C13 1.411(11) . ?
C9 C10 1.371(12) . ?
C10 C11 1.381(13) . ?
C11 C12 1.274(12) . ?
C12 C13 1.366(13) . ?
C14 C15 1.397(15) . ?
C15 C16 1.585(18) . ?
C16 C17 1.382(13) . ?
C18 C19 1.370(14) . ?
C19 C20 1.519(17) . ?
C20 C21 1.413(13) . ?
C22 C23 1.355(15) . ?
C22 C26 1.417(15) . ?
C22 C27 1.557(13) . ?
C23 C24 1.369(13) . ?
C23 C28 1.538(13) . ?
C24 C25 1.412(13) . ?
C24 C29 1.509(13) . ?
C25 C26 1.467(14) . ?
C25 C30 1.506(13) . ?
C26 C31 1.537(12) . ?
C32 C33 1.350(15) . ?
C32 C36 1.443(14) . ?
C32 C41 1.575(12) . ?
C33 C34 1.412(13) . ?
C33 C37 1.540(13) . ?
C34 C35 1.418(15) . ?
C34 C38 1.534(12) . ?
C35 C36 1.377(14) . ?
C35 C39 1.498(13) . ?
C36 C40 1.473(16) . ?
Ru1A C24A 2.132(9) . ?
Ru1A C26A 2.137(8) . ?
Ru1A C25A 2.150(8) . ?
Ru1A C22A 2.163(8) . ?
Ru1A C23A 2.191(10) . ?
Ru1A P1A 2.3070(19) . ?
Ru1A Cl1A 2.4754(18) . ?
Ru1A Cl2A 2.476(2) . ?
Ru2A C34A 2.150(8) . ?
Ru2A C36A 2.168(9) . ?
Ru2A C32A 2.182(8) . ?
Ru2A C35A 2.183(8) . ?
Ru2A C33A 2.186(7) . ?
Ru2A P2A 2.2502(18) . ?
Ru2A Cl2A 2.454(2) . ?
Ru2A Cl1A 2.476(2) . ?
P1A C2A 1.820(7) . ?
P1A C8A 1.829(7) . ?
P1A C1A 1.847(7) . ?
P2A N1A 1.736(7) . ?
P2A N2A 1.754(6) . ?
P2A C1A 1.839(7) . ?
N1A C17A 1.375(10) . ?
N1A C14A 1.389(9) . ?
N2A C21A 1.398(12) . ?
N2A C18A 1.414(10) . ?
C2A C7A 1.368(9) . ?
C2A C3A 1.392(11) . ?
C3A C4A 1.385(11) . ?
C4A C5A 1.330(12) . ?
C5A C6A 1.341(13) . ?
C6A C7A 1.391(12) . ?
C8A C13A 1.367(10) . ?
C8A C9A 1.377(10) . ?
C9A C10A 1.344(11) . ?
C10A C11A 1.264(16) . ?
C11A C12A 1.399(16) . ?
C12A C13A 1.411(12) . ?
C14A C15A 1.303(13) . ?
C15A C16A 1.464(12) . ?
C16A C17A 1.397(12) . ?
C18A C19A 1.402(14) . ?
C19A C20A 1.475(16) . ?
C20A C21A 1.368(13) . ?
C22A C23A 1.308(14) . ?
C22A C26A 1.408(13) . ?
C22A C27A 1.532(13) . ?
C23A C24A 1.385(13) . ?
C23A C28A 1.519(14) . ?
C24A C25A 1.466(14) . ?
C24A C29A 1.519(14) . ?
C25A C26A 1.478(14) . ?
C25A C30A 1.516(12) . ?
C26A C31A 1.517(12) . ?
C32A C33A 1.372(17) . ?
C32A C36A 1.454(17) . ?
C32A C37A 1.502(12) . ?
C33A C34A 1.430(14) . ?
C33A C38A 1.553(14) . ?
C34A C35A 1.315(13) . ?
C34A C39A 1.544(13) . ?
C35A C36A 1.423(13) . ?
C35A C40A 1.516(12) . ?
C36A C41A 1.522(13) . ?
