#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:52:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179081 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/43/4304300.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_4304300
loop_
_publ_author_name
'Adrian B. Chaplin'
'Paul J. Dyson'
_publ_section_title
;
Reactivity and Catalytic Activity of a Robust Ruthenium(II)-Triphos
Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              381
_journal_page_last               390
_journal_paper_doi               10.1021/ic701773a
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C82 H78 Cl2 P6 Ru2, 2(B F4)'
_chemical_formula_sum            'C82 H78 B2 Cl2 F8 P6 Ru2'
_chemical_formula_weight         1695.92
_chemical_name_systematic
; 
 ? 
;
_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                114.580(9)
_cell_angle_beta                 97.356(10)
_cell_angle_gamma                102.402(9)
_cell_formula_units_Z            1
_cell_length_a                   12.4280(12)
_cell_length_b                   12.5183(15)
_cell_length_c                   14.0167(18)
_cell_measurement_reflns_used    55
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.473
_cell_measurement_theta_min      3.276
_cell_volume                     1877.9(4)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and 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  0.0806
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33227
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.33
_exptl_absorpt_coefficient_mu    0.666
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.6388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS, Bruker, 1997. 
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.647
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         6593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0424
_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)+(0.0182P)²+4.8639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                5187
_reflns_number_total             6593
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701773a-file002_2.cif
_cod_data_source_block           complex6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4304300
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.40710(3) 0.35569(3) 0.36974(3) 0.01083(10) Uani 1 1 d . . .
Cl1 Cl 0.60329(8) 0.44854(9) 0.48556(8) 0.0182(2) Uani 1 1 d . . .
P1 P 0.41194(8) 0.15870(9) 0.29052(8) 0.0110(2) Uani 1 1 d . . .
P2 P 0.21383(8) 0.28398(9) 0.31827(8) 0.0121(2) Uani 1 1 d . . .
P3 P 0.40509(8) 0.34999(9) 0.20845(8) 0.0123(2) Uani 1 1 d . . .
C1 C 0.2321(3) 0.1107(4) 0.1104(3) 0.0127(8) Uani 1 1 d . . .
C2 C 0.3189(3) 0.0596(3) 0.1530(3) 0.0122(8) Uani 1 1 d . . .
H2A H 0.3680 0.0388 0.1019 0.015 Uiso 1 1 calc R . .
H2B H 0.2764 -0.0182 0.1510 0.015 Uiso 1 1 calc R . .
C3 C 0.1509(3) 0.1468(3) 0.1857(3) 0.0136(8) Uani 1 1 d . . .
H3A H 0.1184 0.0760 0.1986 0.016 Uiso 1 1 calc R . .
H3B H 0.0873 0.1607 0.1469 0.016 Uiso 1 1 calc R . .
C4 C 0.2932(3) 0.2208(3) 0.0934(3) 0.0139(8) Uani 1 1 d . . .
H4A H 0.2347 0.2546 0.0720 0.017 Uiso 1 1 calc R . .
H4B H 0.3279 0.1885 0.0315 0.017 Uiso 1 1 calc R . .
C5 C 0.1585(3) 0.0079(4) -0.0005(3) 0.0169(9) Uani 1 1 d . . .
H5A H 0.2078 -0.0234 -0.0478 0.025 Uiso 1 1 calc R . .
H5B H 0.1087 0.0409 -0.0333 0.025 Uiso 1 1 calc R . .
H5C H 0.1122 -0.0591 0.0092 0.025 Uiso 1 1 calc R . .
C6 C 0.5433(3) 0.1139(4) 0.2723(3) 0.0132(8) Uani 1 1 d . . .
C7 C 0.6514(3) 0.1972(4) 0.2994(3) 0.0150(9) Uani 1 1 d . . .
H7 H 0.6606 0.2830 0.3297 0.018 Uiso 1 1 calc R . .
C8 C 0.7454(3) 0.1538(4) 0.2818(3) 0.0190(9) Uani 1 1 d . . .
H8 H 0.8184 0.2107 0.3011 0.023 Uiso 1 1 calc R . .
C9 C 0.7336(3) 0.0293(4) 0.2368(3) 0.0182(9) Uani 1 1 d . . .
H9 H 0.7980 0.0008 0.2252 0.022 Uiso 1 1 calc R . .
C10 C 0.6264(3) -0.0543(4) 0.2085(3) 0.0195(9) Uani 1 1 d . . .
H10 H 0.6176 -0.1401 0.1768 0.023 Uiso 1 1 calc R . .
C11 C 0.5323(3) -0.0120(4) 0.2266(3) 0.0160(9) Uani 1 1 d . . .
H11 H 0.4597 -0.0695 0.2076 0.019 Uiso 1 1 calc R . .
C12 C 0.3657(3) 0.0863(3) 0.3743(3) 0.0135(8) Uani 1 1 d . . .
C13 C 0.4381(3) 0.1312(4) 0.4772(3) 0.0167(9) Uani 1 1 d . . .
H13 H 0.5068 0.1957 0.4998 0.020 Uiso 1 1 calc R . .
C14 C 0.4093(3) 0.0814(4) 0.5456(3) 0.0220(10) Uani 1 1 d . . .
H14 H 0.4579 0.1127 0.6154 0.026 Uiso 1 1 calc R . .
C15 C 0.3097(3) -0.0140(4) 0.5125(3) 0.0207(10) Uani 1 1 d . . .
H15 H 0.2912 -0.0490 0.5590 0.025 Uiso 1 1 calc R . .
C16 C 0.2373(3) -0.0582(4) 0.4116(3) 0.0200(9) Uani 1 1 d . . .
H16 H 0.1691 -0.1232 0.3894 0.024 Uiso 1 1 calc R . .
C17 C 0.2643(3) -0.0076(4) 0.3428(3) 0.0160(9) Uani 1 1 d . . .
H17 H 0.2137 -0.0369 0.2744 0.019 Uiso 1 1 calc R . .
C18 C 0.1589(3) 0.2386(4) 0.4153(3) 0.0154(9) Uani 1 1 d . . .
C19 C 0.2284(3) 0.2716(4) 0.5156(3) 0.0168(9) Uani 1 1 d . . .
H19 H 0.3053 0.3199 0.5346 0.020 Uiso 1 1 calc R . .
C20 C 0.1869(4) 0.2347(4) 0.5883(3) 0.0205(9) Uani 1 1 d . . .
H20 H 0.2356 0.2566 0.6558 0.025 Uiso 1 1 calc R . .
C21 C 0.0738(4) 0.1658(4) 0.5618(4) 0.0230(10) Uani 1 1 d . . .
H21 H 0.0448 0.1412 0.6114 0.028 Uiso 1 1 calc R . .
C22 C 0.0034(4) 0.1330(4) 0.4622(4) 0.0235(10) Uani 1 1 d . . .
H22 H -0.0738 0.0858 0.4441 0.028 Uiso 1 1 calc R . .
C23 C 0.0444(3) 0.1685(4) 0.3892(3) 0.0170(9) Uani 1 1 d . . .
H23 H -0.0046 0.1458 0.3216 0.020 Uiso 1 1 calc R . .
C24 C 0.1401(3) 0.3955(4) 0.3163(3) 0.0160(9) Uani 1 1 d . . .
C25 C 0.1233(3) 0.4798(4) 0.4134(3) 0.0183(9) Uani 1 1 d . . .
H25 H 0.1431 0.4734 0.4781 0.022 Uiso 1 1 calc R . .
C26 C 0.0778(3) 0.5722(4) 0.4147(4) 0.0242(10) Uani 1 1 d . . .
H26 H 0.0668 0.6290 0.4805 0.029 Uiso 1 1 calc R . .
C27 C 0.0482(3) 0.5820(4) 0.3207(4) 0.0237(10) Uani 1 1 d . . .
H27 H 0.0180 0.6463 0.3229 0.028 Uiso 1 1 calc R . .
C28 C 0.0621(3) 0.4994(4) 0.2237(4) 0.0224(10) Uani 1 1 d . . .
H28 H 0.0412 0.5066 0.1595 0.027 Uiso 1 1 calc R . .
C29 C 0.1069(3) 0.4058(4) 0.2214(3) 0.0199(9) Uani 1 1 d . . .
H29 H 0.1152 0.3479 0.1547 0.024 Uiso 1 1 calc R . .
C30 C 0.3858(3) 0.4830(4) 0.1919(3) 0.0157(9) Uani 1 1 d . . .
C31 C 0.3631(3) 0.5815(4) 0.2717(3) 0.0200(9) Uani 1 1 d . . .
H31 H 0.3650 0.5865 0.3414 0.024 Uiso 1 1 calc R . .
C32 C 0.3375(4) 0.6731(4) 0.2491(4) 0.0254(10) Uani 1 1 d . . .
H32 H 0.3226 0.7406 0.3040 0.030 Uiso 1 1 calc R . .
C33 C 0.3336(4) 0.6670(4) 0.1485(4) 0.0297(11) Uani 1 1 d . . .
H33 H 0.3131 0.7281 0.1330 0.036 Uiso 1 1 calc R . .
C34 C 0.3601(5) 0.5700(5) 0.0687(4) 0.0462(15) Uani 1 1 d . . .
H34 H 0.3608 0.5670 -0.0001 0.055 Uiso 1 1 calc R . .
C35 C 0.3852(5) 0.4789(4) 0.0905(4) 0.0374(13) Uani 1 1 d . . .
H35 H 0.4021 0.4128 0.0361 0.045 Uiso 1 1 calc R . .
C36 C 0.5409(3) 0.3422(4) 0.1712(3) 0.0135(8) Uani 1 1 d . . .
C37 C 0.6350(3) 0.4466(4) 0.2318(3) 0.0200(9) Uani 1 1 d . . .
H37 H 0.6252 0.5179 0.2866 0.024 Uiso 1 1 calc R . .
C38 C 0.7425(4) 0.4478(4) 0.2134(4) 0.0262(11) Uani 1 1 d . . .
H38 H 0.8054 0.5193 0.2555 0.031 Uiso 1 1 calc R . .
C39 C 0.7573(4) 0.3437(4) 0.1327(3) 0.0231(10) Uani 1 1 d . . .
H39 H 0.8306 0.3436 0.1202 0.028 Uiso 1 1 calc R . .
C40 C 0.6644(3) 0.2398(4) 0.0706(3) 0.0187(9) Uani 1 1 d . . .
H40 H 0.6745 0.1693 0.0149 0.022 Uiso 1 1 calc R . .
C41 C 0.5563(3) 0.2382(4) 0.0894(3) 0.0161(9) Uani 1 1 d . . .
H41 H 0.4934 0.1667 0.0469 0.019 Uiso 1 1 calc R . .
B1 B 0.0688(15) 0.2136(16) 0.8595(13) 0.040(4) Uani 0.552(7) 1 d P A 1
F1 F 0.0589(9) 0.2409(9) 0.9621(7) 0.057(2) Uani 0.552(7) 1 d P A 1
F2 F -0.0060(13) 0.2599(17) 0.8008(14) 0.055(3) Uani 0.552(7) 1 d P A 1
F3 F 0.1840(6) 0.2322(7) 0.8579(5) 0.076(3) Uani 0.552(7) 1 d P A 1
F4 F 0.013(5) 0.087(5) 0.795(6) 0.071(5) Uani 0.552(7) 1 d P A 1
B1A B 0.0133(16) 0.2153(18) 0.8713(17) 0.034(5) Uani 0.448(7) 1 d P A 2
F1A F 0.1018(9) 0.2962(10) 0.9621(9) 0.050(3) Uani 0.448(7) 1 d P A 2
F2A F 0.0364(17) 0.290(2) 0.8240(19) 0.055(3) Uani 0.448(7) 1 d P A 2
F3A F -0.0884(7) 0.1946(7) 0.9034(6) 0.071(3) Uani 0.448(7) 1 d P A 2
F4A F 0.038(6) 0.107(7) 0.811(7) 0.071(5) Uani 0.448(7) 1 d P A 2
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'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 '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
P3 Ru1 P1 86.20(4) . . ?
P3 Ru1 P2 88.30(4) . . ?
P1 Ru1 P2 88.68(4) . . ?
P3 Ru1 Cl1 110.34(4) . . ?
P1 Ru1 Cl1 97.28(4) . . ?
P2 Ru1 Cl1 160.69(4) . . ?
P3 Ru1 Cl1 115.75(4) . 2_666 ?
P1 Ru1 Cl1 157.97(4) . 2_666 ?
P2 Ru1 Cl1 90.09(4) . 2_666 ?
Cl1 Ru1 Cl1 77.51(4) . 2_666 ?
Ru1 Cl1 Ru1 102.49(4) . 2_666 ?
C12 P1 C2 106.12(18) . . ?
C12 P1 C6 99.62(18) . . ?
C2 P1 C6 100.47(17) . . ?
C12 P1 Ru1 108.24(13) . . ?
C2 P1 Ru1 116.00(13) . . ?
C6 P1 Ru1 124.12(13) . . ?
C18 P2 C24 102.95(18) . . ?
C18 P2 C3 104.71(18) . . ?
C24 P2 C3 105.32(18) . . ?
C18 P2 Ru1 110.15(13) . . ?
C24 P2 Ru1 115.92(13) . . ?
C3 P2 Ru1 116.40(12) . . ?
C30 P3 C36 101.42(18) . . ?
C30 P3 C4 101.91(18) . . ?
C36 P3 C4 106.17(18) . . ?
C30 P3 Ru1 117.78(13) . . ?
C36 P3 Ru1 112.23(13) . . ?
C4 P3 Ru1 115.66(12) . . ?
C5 C1 C2 107.8(3) . . ?
C5 C1 C4 107.8(3) . . ?
C2 C1 C4 110.8(3) . . ?
C5 C1 C3 107.3(3) . . ?
C2 C1 C3 111.8(3) . . ?
C4 C1 C3 111.1(3) . . ?
C1 C2 P1 117.7(3) . . ?
C1 C3 P2 116.5(3) . . ?
C1 C4 P3 118.0(3) . . ?
C11 C6 C7 118.6(4) . . ?
C11 C6 P1 116.9(3) . . ?
C7 C6 P1 124.5(3) . . ?
C8 C7 C6 120.0(4) . . ?
C9 C8 C7 120.9(4) . . ?
C8 C9 C10 119.6(4) . . ?
C11 C10 C9 120.0(4) . . ?
C10 C11 C6 120.9(4) . . ?
C17 C12 C13 119.3(4) . . ?
C17 C12 P1 124.2(3) . . ?
C13 C12 P1 116.5(3) . . ?
C14 C13 C12 120.1(4) . . ?
C13 C14 C15 120.3(4) . . ?
C16 C15 C14 120.1(4) . . ?
C15 C16 C17 120.2(4) . . ?
C16 C17 C12 120.0(4) . . ?
C19 C18 C23 118.7(4) . . ?
C19 C18 P2 121.2(3) . . ?
C23 C18 P2 120.1(3) . . ?
C20 C19 C18 121.0(4) . . ?
C21 C20 C19 119.8(4) . . ?
C20 C21 C22 119.7(4) . . ?
C23 C22 C21 120.8(4) . . ?
C22 C23 C18 120.0(4) . . ?
C29 C24 C25 118.4(4) . . ?
C29 C24 P2 121.8(3) . . ?
C25 C24 P2 119.6(3) . . ?
C26 C25 C24 120.1(4) . . ?
C27 C26 C25 120.3(4) . . ?
C28 C27 C26 120.9(4) . . ?
C27 C28 C29 119.2(4) . . ?
C28 C29 C24 121.0(4) . . ?
C31 C30 C35 119.2(4) . . ?
C31 C30 P3 123.2(3) . . ?
C35 C30 P3 117.4(3) . . ?
C30 C31 C32 119.8(4) . . ?
C33 C32 C31 120.9(4) . . ?
C32 C33 C34 119.6(4) . . ?
C35 C34 C33 119.8(5) . . ?
C34 C35 C30 120.7(4) . . ?
C37 C36 C41 118.7(4) . . ?
C37 C36 P3 116.9(3) . . ?
C41 C36 P3 124.3(3) . . ?
C38 C37 C36 121.3(4) . . ?
C37 C38 C39 119.6(4) . . ?
C40 C39 C38 119.8(4) . . ?
C39 C40 C41 120.6(4) . . ?
C40 C41 C36 119.9(4) . . ?
F1 B1 F3 109.1(12) . . ?
F1 B1 F4 107(4) . . ?
F3 B1 F4 107(3) . . ?
F1 B1 F2 114.6(17) . . ?
F3 B1 F2 120.3(15) . . ?
F4 B1 F2 97(3) . . ?
F2A B1A F4A 108(5) . . ?
F2A B1A F1A 91.1(15) . . ?
F4A B1A F1A 112(3) . . ?
F2A B1A F3A 121.8(19) . . ?
F4A B1A F3A 113(4) . . ?
F1A B1A F3A 109.4(17) . . ?
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 P3 2.2287(11) . ?
Ru1 P1 2.2629(11) . ?
Ru1 P2 2.2775(10) . ?
Ru1 Cl1 2.4760(10) . ?
Ru1 Cl1 2.4908(11) 2_666 ?
Cl1 Ru1 2.4907(11) 2_666 ?
P1 C12 1.835(4) . ?
P1 C2 1.848(4) . ?
P1 C6 1.850(4) . ?
P2 C18 1.831(4) . ?
P2 C24 1.834(4) . ?
P2 C3 1.847(4) . ?
P3 C30 1.834(4) . ?
P3 C36 1.840(4) . ?
P3 C4 1.855(4) . ?
C1 C5 1.540(5) . ?
C1 C2 1.543(5) . ?
C1 C4 1.550(5) . ?
C1 C3 1.551(5) . ?
C6 C11 1.400(5) . ?
C6 C7 1.406(5) . ?
C7 C8 1.399(6) . ?
C8 C9 1.382(6) . ?
C9 C10 1.396(6) . ?
C10 C11 1.395(6) . ?
C12 C17 1.398(5) . ?
C12 C13 1.407(5) . ?
C13 C14 1.387(6) . ?
C14 C15 1.390(6) . ?
C15 C16 1.388(6) . ?
C16 C17 1.395(6) . ?
C18 C19 1.395(6) . ?
C18 C23 1.411(5) . ?
C19 C20 1.394(6) . ?
C20 C21 1.391(6) . ?
C21 C22 1.393(6) . ?
C22 C23 1.385(6) . ?
C24 C29 1.407(6) . ?
C24 C25 1.408(5) . ?
C25 C26 1.387(6) . ?
C26 C27 1.384(6) . ?
C27 C28 1.384(6) . ?
C28 C29 1.393(6) . ?
C30 C31 1.390(6) . ?
C30 C35 1.400(6) . ?
C31 C32 1.397(6) . ?
C32 C33 1.374(6) . ?
C33 C34 1.404(7) . ?
C34 C35 1.382(7) . ?
C36 C37 1.401(5) . ?
C36 C41 1.402(5) . ?
C37 C38 1.391(6) . ?
C38 C39 1.393(6) . ?
C39 C40 1.393(6) . ?
C40 C41 1.400(5) . ?
B1 F1 1.36(2) . ?
B1 F3 1.405(19) . ?
B1 F4 1.41(5) . ?
B1 F2 1.52(2) . ?
B1A F2A 1.36(4) . ?
B1A F4A 1.39(10) . ?
B1A F1A 1.40(2) . ?
B1A F3A 1.40(2) . ?
