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#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/75/4327598.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_4327598
loop_
_publ_author_name
'Rainer Haid'
'René Gutmann'
'Thomas Stampfl'
'Chistoph Langes'
'Georg Czermak'
'Holger Kopacka'
'Karl-Hans Ongania'
'Peter Brüggeller'
_publ_contact_author             'Peter Brüggeller'
_publ_contact_author_email       Peter.Brueggeller@uibk.ac.at
_publ_contact_author_fax         '043 512 5072934'
_publ_contact_author_phone       '043 512 5075115'
_publ_section_title
;
 Unexpected Photochemical Reactivity of Ruthenium(II) Polypyridine
 Complexes Induced by a Bis(bidentate) Phosphine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7099
_journal_page_last               7104
_journal_paper_doi               10.1021/ic010545+
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C83.4 H78.8 Cl6.8 F24 N8 P8 Ru2'
_chemical_formula_weight         2340.11
_chemical_name_systematic        '[Ru2(dppcb)(bipy)2(MeCN)4](PF6)4'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                68.71(1)
_cell_angle_beta                 79.91(1)
_cell_angle_gamma                71.95(1)
_cell_formula_units_Z            1
_cell_length_a                   12.965(4)
_cell_length_b                   13.044(4)
_cell_length_c                   16.528(4)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     2470.0(12)
_computing_cell_refinement       'Software of the Siemens P4'
_computing_data_collection       'Siemens P4'
_computing_data_reduction        'Software of the Siemens P4'
_computing_molecular_graphics    'SHELXTL PLUS'
_computing_publication_material  'SHELXTL PLUS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       omega-scans
_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  0.033
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11482
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.638
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   Psi-scans
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_description       prism
_exptl_crystal_F_000             1175
_exptl_crystal_size_max          1.15
_exptl_crystal_size_mid          0.95
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.740
_refine_diff_density_min         -0.913
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         10291
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_gt           0.0492
_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)+(0.0950P)²+1.8617P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1283
_reflns_number_gt                6106
_reflns_number_total             10291
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ic0105452B_3.cif
_cod_data_source_block           3
_cod_original_formula_sum        'C83.4 H78.8 F24 N8 P8 Cl6.8 Ru2'
_cod_database_code               4327598
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.403461(17) 0.574212(18) 0.700258(13) 0.02438(10) Uani 1 1 d .
P1 P 0.40347(6) 0.41962(7) 0.65982(5) 0.02894(17) Uani 1 1 d .
P2 P 0.56635(6) 0.56572(6) 0.61393(4) 0.02458(15) Uani 1 1 d .
N1 N 0.3977(2) 0.7131(2) 0.74496(16) 0.0304(5) Uani 1 1 d .
N2 N 0.2559(2) 0.5850(2) 0.78597(16) 0.0326(5) Uani 1 1 d .
C1A C 0.4715(3) 0.7734(3) 0.7251(2) 0.0354(6) Uani 1 1 d .
H1AA H 0.5307 0.7566 0.6867 0.043 Uiso 1 1 calc R
C2A C 0.4647(3) 0.8587(3) 0.7581(2) 0.0429(7) Uani 1 1 d .
H2AA H 0.5180 0.8978 0.7426 0.052 Uiso 1 1 calc R
C3A C 0.3756(4) 0.8845(4) 0.8152(3) 0.0536(10) Uani 1 1 d .
H3AA H 0.3680 0.9418 0.8385 0.064 Uiso 1 1 calc R
C4A C 0.2992(3) 0.8236(3) 0.8366(3) 0.0500(9) Uani 1 1 d .
H4AA H 0.2388 0.8407 0.8738 0.060 Uiso 1 1 calc R
C5A C 0.3119(3) 0.7362(3) 0.8025(2) 0.0338(6) Uani 1 1 d .
C6A C 0.2345(3) 0.6652(3) 0.8250(2) 0.0356(6) Uani 1 1 d .
C7A C 0.1431(3) 0.6796(3) 0.8838(3) 0.0488(9) Uani 1 1 d .
H7AA H 0.1305 0.7340 0.9109 0.059 Uiso 1 1 calc R
C8A C 0.0712(3) 0.6124(4) 0.9014(3) 0.0528(10) Uani 1 1 d .
H8AA H 0.0104 0.6214 0.9401 0.063 Uiso 1 1 calc R
C9A C 0.0925(3) 0.5324(4) 0.8603(3) 0.0505(9) Uani 1 1 d .
H9AA H 0.0454 0.4875 0.8695 0.061 Uiso 1 1 calc R
C10A C 0.1856(3) 0.5201(4) 0.8048(2) 0.0436(8) Uani 1 1 d .
H10A H 0.2005 0.4640 0.7789 0.052 Uiso 1 1 calc R
N1A N 0.4863(2) 0.4749(2) 0.80790(16) 0.0297(5) Uani 1 1 d .
C1B C 0.5329(3) 0.4275(3) 0.8691(2) 0.0370(7) Uani 1 1 d .
C2B C 0.5935(4) 0.3679(4) 0.9473(3) 0.0593(11) Uani 1 1 d .
H2AA H 0.6491 0.3028 0.9397 0.085(18) Uiso 1 1 calc R
H2AC H 0.5448 0.3430 0.9965 0.09(2) Uiso 1 1 calc R
H2AB H 0.6264 0.4186 0.9569 0.17(4) Uiso 1 1 calc R
N1B N 0.3098(2) 0.6914(2) 0.60282(16) 0.0331(5) Uani 1 1 d .
C1C C 0.2526(3) 0.7640(3) 0.5552(2) 0.0454(8) Uani 1 1 d .
C2C C 0.1812(5) 0.8543(6) 0.4915(4) 0.0876(19) Uani 1 1 d .
H2BA H 0.2131 0.8580 0.4339 0.17(4) Uiso 1 1 calc R
H2BB H 0.1714 0.9261 0.4996 0.12(3) Uiso 1 1 calc R
H2BC H 0.1120 0.8385 0.4990 0.13(3) Uiso 1 1 calc R
C1 C 0.4850(2) 0.4245(2) 0.55362(17) 0.0278(5) Uani 1 1 d .
H1A H 0.5191 0.3474 0.5508 0.033 Uiso 1 1 calc R
C2 C 0.5708(2) 0.4943(2) 0.53218(17) 0.0266(5) Uani 1 1 d .
H2A H 0.6443 0.4495 0.5206 0.032 Uiso 1 1 calc R
C11 C 0.2706(3) 0.4048(4) 0.6460(2) 0.0434(8) Uani 1 1 d .
C12 C 0.1940(3) 0.4991(4) 0.5963(3) 0.0513(9) Uani 1 1 d .
H12A H 0.2125 0.5674 0.5669 0.062 Uiso 1 1 calc R
C13 C 0.0894(4) 0.4922(6) 0.5900(4) 0.0730(15) Uani 1 1 d .
H13A H 0.0400 0.5553 0.5562 0.088 Uiso 1 1 calc R
C14 C 0.0605(5) 0.3918(7) 0.6342(4) 0.0814(18) Uani 1 1 d .
H14A H -0.0085 0.3872 0.6302 0.098 Uiso 1 1 calc R
C15 C 0.1332(6) 0.2992(7) 0.6839(4) 0.085(2) Uani 1 1 d .
H15A H 0.1127 0.2323 0.7146 0.102 Uiso 1 1 calc R
C16 C 0.2401(4) 0.3039(5) 0.6894(3) 0.0605(12) Uani 1 1 d .
H16A H 0.2896 0.2395 0.7220 0.073 Uiso 1 1 calc R
C21 C 0.4664(3) 0.2779(3) 0.73539(19) 0.0364(7) Uani 1 1 d .
C22 C 0.4269(4) 0.2553(3) 0.8231(2) 0.0500(9) Uani 1 1 d .
H22A H 0.3740 0.3115 0.8406 0.060 Uiso 1 1 calc R
C23 C 0.4676(5) 0.1476(3) 0.8841(3) 0.0694(14) Uani 1 1 d .
H23A H 0.4414 0.1325 0.9422 0.083 Uiso 1 1 calc R
C24 C 0.5465(5) 0.0637(4) 0.8586(3) 0.0681(14) Uani 1 1 d .
H24A H 0.5728 -0.0075 0.8995 0.082 Uiso 1 1 calc R
C25 C 0.5866(4) 0.0849(3) 0.7721(3) 0.0577(11) Uani 1 1 d .
H25A H 0.6404 0.0287 0.7553 0.069 Uiso 1 1 calc R
C26 C 0.5452(3) 0.1920(3) 0.7104(2) 0.0437(8) Uani 1 1 d .
H26A H 0.5705 0.2058 0.6523 0.052 Uiso 1 1 calc R
C31 C 0.6839(2) 0.4752(3) 0.67738(19) 0.0300(6) Uani 1 1 d .
C32 C 0.7252(3) 0.5197(3) 0.7272(2) 0.0407(7) Uani 1 1 d .
H32A H 0.6986 0.5965 0.7221 0.049 Uiso 1 1 calc R
C33 C 0.8066(3) 0.4480(4) 0.7846(3) 0.0509(9) Uani 1 1 d .
H33A H 0.8344 0.4780 0.8165 0.061 Uiso 1 1 calc R
C34 C 0.8449(3) 0.3345(4) 0.7935(3) 0.0575(11) Uani 1 1 d .
H34A H 0.8989 0.2876 0.8313 0.069 Uiso 1 1 calc R
C35 C 0.8034(4) 0.2884(4) 0.7458(3) 0.0581(11) Uani 1 1 d .
H35A H 0.8287 0.2110 0.7529 0.070 Uiso 1 1 calc R
C36 C 0.7236(3) 0.3595(3) 0.6875(2) 0.0410(7) Uani 1 1 d .
H36A H 0.6969 0.3291 0.6553 0.049 Uiso 1 1 calc R
C41 C 0.6069(3) 0.6960(3) 0.54662(19) 0.0311(6) Uani 1 1 d .
C42 C 0.5273(3) 0.7963(3) 0.5098(2) 0.0376(7) Uani 1 1 d .
H42A H 0.4544 0.7969 0.5228 0.045 Uiso 1 1 calc R
C43 C 0.5544(4) 0.8959(3) 0.4536(2) 0.0494(9) Uani 1 1 d .
H43A H 0.5003 0.9613 0.4287 0.059 Uiso 1 1 calc R
C44 C 0.6643(4) 0.8951(3) 0.4356(3) 0.0522(9) Uani 1 1 d .
H44A H 0.6836 0.9607 0.3989 0.063 Uiso 1 1 calc R
C45 C 0.7444(3) 0.7969(4) 0.4723(3) 0.0511(9) Uani 1 1 d .
H45A H 0.8171 0.7974 0.4606 0.061 Uiso 1 1 calc R
C46 C 0.7169(3) 0.6965(3) 0.5270(2) 0.0395(7) Uani 1 1 d .
H46A H 0.7713 0.6305 0.5502 0.047 Uiso 1 1 calc R
P3 P 0.29170(9) 0.32181(9) 1.06643(7) 0.0490(2) Uani 1 1 d .
F1 F 0.1759(2) 0.4033(3) 1.0808(2) 0.0852(10) Uani 1 1 d .
F2 F 0.2471(4) 0.2995(4) 0.9904(3) 0.1099(13) Uani 1 1 d .
F3 F 0.3266(3) 0.4259(3) 0.9934(3) 0.1011(13) Uani 1 1 d .
F4 F 0.3359(4) 0.3395(4) 1.1406(3) 0.127(2) Uani 1 1 d .
F5 F 0.2577(5) 0.2095(4) 1.1317(3) 0.1228(16) Uani 1 1 d .
F6 F 0.4078(3) 0.2371(3) 1.0527(2) 0.0819(9) Uani 1 1 d .
P4 P 0.02424(11) 0.00566(11) 0.69066(9) 0.0646(3) Uani 1 1 d .
F7 F -0.1051(3) 0.0384(3) 0.7107(3) 0.0879(10) Uani 1 1 d .
F8 F 0.0090(4) 0.1347(3) 0.6278(3) 0.1165(16) Uani 1 1 d .
F9 F -0.0004(3) -0.0318(4) 0.6148(3) 0.1070(13) Uani 1 1 d .
F10 F 0.0320(4) -0.1158(4) 0.7575(4) 0.140(2) Uani 1 1 d .
F11 F 0.0333(5) 0.0484(6) 0.7679(4) 0.143(2) Uani 1 1 d .
F12 F 0.1514(3) -0.0234(5) 0.6697(4) 0.150(2) Uani 1 1 d .
C3 C 0.1331(6) 0.0698(6) 1.0428(5) 0.0881(17) Uani 1 1 d .
H3A H 0.0886 0.0383 1.0940 0.106 Uiso 1 1 calc R
H3B H 0.1720 0.1115 1.0588 0.106 Uiso 1 1 calc R
Cl1 Cl 0.2288(2) -0.0441(2) 1.0173(2) 0.1365(9) Uani 1 1 d .
Cl2 Cl 0.0503(3) 0.1629(3) 0.9669(3) 0.1987(19) Uani 1 1 d .
C4 C 0.1295(6) 0.2263(9) 1.3094(7) 0.098(3) Uani 0.70 1 d PD
Cl3 Cl 0.2576(4) 0.1216(4) 1.3549(2) 0.1528(17) Uani 0.70 1 d PD
Cl4 Cl 0.0529(5) 0.2919(6) 1.3594(5) 0.196(2) Uani 0.70 1 d PD
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'
Ru Ru -1.2594 0.8363 '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
N1A Ru1 N1B 171.00(10) . .
N1A Ru1 N1 84.03(10) . .
N1B Ru1 N1 87.84(10) . .
N1A Ru1 N2 87.50(10) . .
N1B Ru1 N2 86.90(10) . .
N1 Ru1 N2 76.87(10) . .
N1A Ru1 P2 90.26(7) . .
N1B Ru1 P2 94.99(8) . .
N1 Ru1 P2 100.26(7) . .
N2 Ru1 P2 176.52(7) . .
N1A Ru1 P1 94.34(8) . .
N1B Ru1 P1 93.57(8) . .
N1 Ru1 P1 176.50(7) . .
N2 Ru1 P1 99.99(8) . .
P2 Ru1 P1 82.82(3) . .
C21 P1 C11 102.53(17) . .
C21 P1 C1 104.26(14) . .
C11 P1 C1 105.42(14) . .
C21 P1 Ru1 114.98(10) . .
C11 P1 Ru1 117.93(13) . .
C1 P1 Ru1 110.40(9) . .
C31 P2 C41 104.37(14) . .
C31 P2 C2 103.67(13) . .
C41 P2 C2 102.76(13) . .
C31 P2 Ru1 112.08(10) . .
C41 P2 Ru1 121.33(10) . .
C2 P2 Ru1 110.87(9) . .
C1A N1 C5A 118.1(3) . .
C1A N1 Ru1 126.9(2) . .
C5A N1 Ru1 114.9(2) . .
C10A N2 C6A 117.7(3) . .
C10A N2 Ru1 127.2(2) . .
C6A N2 Ru1 115.1(2) . .
N1 C1A C2A 124.0(3) . .
C1A C2A C3A 118.2(4) . .
C4A C3A C2A 118.7(3) . .
C3A C4A C5A 120.5(3) . .
N1 C5A C4A 120.5(3) . .
N1 C5A C6A 116.4(3) . .
C4A C5A C6A 123.1(3) . .
N2 C6A C7A 121.1(3) . .
N2 C6A C5A 116.7(3) . .
C7A C6A C5A 122.2(3) . .
C8A C7A C6A 120.0(4) . .
C9A C8A C7A 118.5(3) . .
C8A C9A C10A 118.8(4) . .
N2 C10A C9A 123.8(4) . .
C1B N1A Ru1 174.2(3) . .
N1A C1B C2B 179.3(4) . .
C1C N1B Ru1 171.7(3) . .
N1B C1C C2C 177.5(5) . .
C2 C1 C2 90.3(2) . 2_666
C2 C1 P1 113.71(18) . .
C2 C1 P1 118.0(2) 2_666 .
C1 C2 C1 89.7(2) . 2_666
C1 C2 P2 114.12(18) . .
C1 C2 P2 114.70(19) 2_666 .
C16 C11 C12 118.0(4) . .
C16 C11 P1 121.7(3) . .
C12 C11 P1 120.2(3) . .
C11 C12 C13 121.2(5) . .
C14 C13 C12 119.9(6) . .
C15 C14 C13 120.0(5) . .
C14 C15 C16 120.8(5) . .
C11 C16 C15 120.1(5) . .
C26 C21 C22 119.1(3) . .
C26 C21 P1 124.5(2) . .
C22 C21 P1 116.3(3) . .
C23 C22 C21 119.7(4) . .
C24 C23 C22 120.5(4) . .
C23 C24 C25 120.5(4) . .
C24 C25 C26 119.4(4) . .
C21 C26 C25 120.8(3) . .
C36 C31 C32 118.8(3) . .
C36 C31 P2 121.5(2) . .
C32 C31 P2 119.1(2) . .
C33 C32 C31 120.2(3) . .
C34 C33 C32 120.2(4) . .
C33 C34 C35 120.4(3) . .
C34 C35 C36 119.8(4) . .
C31 C36 C35 120.6(4) . .
C42 C41 C46 118.6(3) . .
C42 C41 P2 119.5(2) . .
C46 C41 P2 121.8(2) . .
C41 C42 C43 121.7(3) . .
C44 C43 C42 118.9(4) . .
C45 C44 C43 120.2(3) . .
C44 C45 C46 120.6(4) . .
C45 C46 C41 119.9(3) . .
F4 P3 F3 93.6(3) . .
F4 P3 F1 91.2(2) . .
F3 P3 F1 90.4(2) . .
F4 P3 F6 89.30(19) . .
F3 P3 F6 90.7(2) . .
F1 P3 F6 178.8(2) . .
F4 P3 F5 92.5(3) . .
F3 P3 F5 173.2(3) . .
F1 P3 F5 92.6(3) . .
F6 P3 F5 86.3(2) . .
F4 P3 F2 178.4(2) . .
F3 P3 F2 87.6(3) . .
F1 P3 F2 89.9(2) . .
F6 P3 F2 89.6(2) . .
F5 P3 F2 86.3(3) . .
F10 P4 F12 91.8(3) . .
F10 P4 F8 175.1(3) . .
F12 P4 F8 91.7(3) . .
F10 P4 F11 89.2(3) . .
F12 P4 F11 91.6(3) . .
F8 P4 F11 87.3(3) . .
F10 P4 F7 89.6(3) . .
F12 P4 F7 178.6(3) . .
F8 P4 F7 86.9(2) . .
F11 P4 F7 88.1(3) . .
F10 P4 F9 91.4(3) . .
F12 P4 F9 95.2(3) . .
F8 P4 F9 91.7(3) . .
F11 P4 F9 173.1(3) . .
F7 P4 F9 85.1(2) . .
Cl2 C3 Cl1 117.7(4) . .
Cl4 C4 Cl3 121.2(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1A 2.033(3) .
Ru1 N1B 2.037(3) .
Ru1 N1 2.169(3) .
Ru1 N2 2.171(3) .
Ru1 P2 2.3285(9) .
Ru1 P1 2.3434(10) .
P1 C21 1.840(3) .
P1 C11 1.853(4) .
P1 C1 1.874(3) .
P2 C31 1.834(3) .
P2 C41 1.838(3) .
P2 C2 1.884(3) .
N1 C1A 1.344(4) .
N1 C5A 1.365(4) .
N2 C10A 1.354(5) .
N2 C6A 1.354(4) .
C1A C2A 1.381(5) .
C2A C3A 1.396(6) .
C3A C4A 1.378(6) .
C4A C5A 1.401(5) .
C5A C6A 1.483(5) .
C6A C7A 1.405(5) .
C7A C8A 1.395(6) .
C8A C9A 1.378(6) .
C9A C10A 1.386(5) .
N1A C1B 1.139(4) .
C1B C2B 1.463(5) .
N1B C1C 1.138(4) .
C1C C2C 1.456(5) .
C1 C2 1.564(4) .
C1 C2 1.565(4) 2_666
C2 C1 1.565(4) 2_666
C11 C16 1.394(6) .
C11 C12 1.403(6) .
C12 C13 1.410(6) .
C13 C14 1.379(9) .
C14 C15 1.367(10) .
C15 C16 1.426(7) .
C21 C26 1.396(5) .
C21 C22 1.404(4) .
C22 C23 1.403(6) .
C23 C24 1.382(8) .
C24 C25 1.389(6) .
C25 C26 1.405(5) .
C31 C36 1.391(5) .
C31 C32 1.412(4) .
C32 C33 1.408(5) .
C33 C34 1.369(7) .
C34 C35 1.401(7) .
C35 C36 1.402(5) .
C41 C42 1.397(5) .
C41 C46 1.406(5) .
C42 C43 1.402(5) .
C43 C44 1.402(6) .
C44 C45 1.385(6) .
C45 C46 1.406(5) .
P3 F4 1.555(3) .
P3 F3 1.582(3) .
P3 F1 1.584(3) .
P3 F6 1.603(3) .
P3 F5 1.609(4) .
P3 F2 1.620(4) .
P4 F10 1.552(4) .
P4 F12 1.578(4) .
P4 F8 1.596(4) .
P4 F11 1.602(5) .
P4 F7 1.602(4) .
P4 F9 1.611(4) .
C3 Cl2 1.661(7) .
C3 Cl1 1.748(7) .
C4 Cl4 1.450(11) .
C4 Cl3 1.864(10) .
