#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:30:28 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179183 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/30/4313071.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_4313071
loop_
_publ_author_name
'Christian Lorber'
'Robert Choukroun'
'Bruno Donnadieu'
_publ_contact_author             'Dr Christian Lorber'
_publ_contact_author_address
;
Laboratoire de Chimie de Coordination
UPR-CNRS 8241
205, route de Narbonne
31077 Toulouse cedex, France                                               
;
_publ_contact_author_email       ' lorber@lcc-toulouse.fr '
_publ_section_title
;
 Synthesis and Crystal Structure of Unprecedented Phosphine Adducts of
 d1-Aryl Imido-Vanadium(IV) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              673
_journal_page_last               675
_journal_paper_doi               10.1021/ic026089m
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C76 H78 Cl8 N2 P4 V2'
_chemical_formula_weight         1528.76
_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                108.70(3)
_cell_angle_beta                 111.31(3)
_cell_angle_gamma                92.33(3)
_cell_formula_units_Z            1
_cell_length_a                   11.745(2)
_cell_length_b                   13.517(3)
_cell_length_c                   13.862(3)
_cell_measurement_temperature    180(2)
_cell_volume                     1910.9(9)
_computing_cell_refinement
'Crysalis RED version beta 169(Oxford Diffraction)'
_computing_data_collection
'Crysalis CCD version beta 169(Oxford Diffraction)'
_computing_data_reduction
'Crysalis RED version beta 169(Oxford Diffraction)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device       'Crysalis Oxford Diffraction'
_diffrn_measurement_method       φ
_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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12495
_diffrn_reflns_theta_full        22.21
_diffrn_reflns_theta_max         22.21
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  'every frame'
_exptl_absorpt_coefficient_mu    0.650
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             790
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         4576
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0982P)²+0.8905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1450
_reflns_number_gt                3701
_reflns_number_total             4576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic026089m_s1_1.cif
_cod_data_source_block           (4)
_cod_original_cell_volume        1910.9(7)
_cod_database_code               4313071
#BEGIN Tags that were not found in dictionaries:
_computing_corr_abs              DIFABS
#END Tags that were not found in dictionaries
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
V1 V 0.13893(6) 0.58105(5) 0.13249(6) 0.0174(3) Uani 1 1 d . . .
P1 P 0.20201(10) 0.39524(9) 0.11354(9) 0.0207(3) Uani 1 1 d . . .
P2 P 0.05188(11) 0.73931(8) 0.09155(9) 0.0238(3) Uani 1 1 d . . .
Cl1 Cl 0.32503(10) 0.65134(10) 0.13373(10) 0.0333(3) Uani 1 1 d . . .
Cl2 Cl -0.07133(9) 0.49620(8) 0.07649(8) 0.0199(3) Uani 1 1 d . . .
N1 N 0.1695(4) 0.6318(3) 0.2692(3) 0.0243(9) Uani 1 1 d . . .
C1 C 0.1963(6) 0.6815(4) 0.3820(4) 0.0463(13) Uani 1 1 d U A .
C2 C 0.3219(7) 0.7169(5) 0.4565(4) 0.0631(15) Uani 1 1 d U . .
C3 C 0.3450(9) 0.7714(6) 0.5680(5) 0.0826(18) Uani 1 1 d U A .
H3 H 0.4284 0.7966 0.6207 0.099 Uiso 1 1 calc R . .
C4 C 0.2508(9) 0.7892(6) 0.6025(5) 0.0868(19) Uani 1 1 d U . .
H4 H 0.2703 0.8279 0.6787 0.104 Uiso 1 1 calc R A .
C5 C 0.1285(9) 0.7533(5) 0.5312(5) 0.0749(17) Uani 1 1 d U A .
H5 H 0.0648 0.7657 0.5583 0.090 Uiso 1 1 calc R . .
C6 C 0.0980(7) 0.6981(4) 0.4175(4) 0.0545(13) Uani 1 1 d U . .
C21 C 0.4256(7) 0.6950(7) 0.4186(5) 0.086(3) Uani 1 1 d . A .
H21 H 0.3877 0.6624 0.3357 0.103 Uiso 1 1 calc R . .
C22 C 0.4962(9) 0.6147(6) 0.4624(8) 0.103(3) Uani 1 1 d . . .
H22A H 0.5526 0.5919 0.4254 0.155 Uiso 1 1 calc R A .
H22B H 0.4367 0.5529 0.4471 0.155 Uiso 1 1 calc R . .
H22C H 0.5442 0.6480 0.5426 0.155 Uiso 1 1 calc R . .
C23 C 0.5202(8) 0.7964(8) 0.4511(9) 0.112(4) Uani 1 1 d . . .
H23A H 0.5917 0.7756 0.4342 0.168 Uiso 1 1 calc R A .
H23B H 0.5481 0.8371 0.5307 0.168 Uiso 1 1 calc R . .
H23C H 0.4801 0.8402 0.4089 0.168 Uiso 1 1 calc R . .
C61 C -0.0357(6) 0.6554(4) 0.3393(5) 0.0518(16) Uani 1 1 d . A .
H61 H -0.0408 0.6449 0.2630 0.062 Uiso 1 1 calc R . .
C62 C -0.0803(7) 0.5474(5) 0.3379(7) 0.066(2) Uani 1 1 d . . .
H62A H -0.1688 0.5241 0.2896 0.099 Uiso 1 1 calc R A .
H62B H -0.0676 0.5527 0.4134 0.099 Uiso 1 1 calc R . .
H62C H -0.0331 0.4957 0.3097 0.099 Uiso 1 1 calc R . .
C63 C -0.1273(9) 0.7289(6) 0.3605(7) 0.083(3) Uani 1 1 d . . .
H63A H -0.2103 0.6983 0.3016 0.124 Uiso 1 1 calc R A .
H63B H -0.1001 0.7987 0.3611 0.124 Uiso 1 1 calc R . .
H63C H -0.1300 0.7367 0.4324 0.124 Uiso 1 1 calc R . .
C111 C 0.3595(5) 0.3889(4) 0.1209(4) 0.0355(12) Uani 1 1 d . . .
C112 C 0.3876(6) 0.3964(6) 0.0339(6) 0.0583(18) Uani 1 1 d . . .
H112 H 0.3250 0.4057 -0.0275 0.070 Uiso 1 1 calc R . .
C113 C 0.5054(6) 0.3906(7) 0.0360(7) 0.077(2) Uani 1 1 d . . .
H113 H 0.5228 0.3935 -0.0250 0.093 Uiso 1 1 calc R . .
C114 C 0.5963(7) 0.3808(7) 0.1246(8) 0.087(3) Uani 1 1 d . . .
H114 H 0.6773 0.3770 0.1258 0.104 Uiso 1 1 calc R . .
C115 C 0.5723(6) 0.3765(7) 0.2119(7) 0.081(2) Uani 1 1 d . . .
H115 H 0.6374 0.3722 0.2749 0.097 Uiso 1 1 calc R . .
C116 C 0.4535(5) 0.3783(5) 0.2101(5) 0.0539(16) Uani 1 1 d . . .
H116 H 0.4368 0.3723 0.2704 0.065 Uiso 1 1 calc R . .
C121 C 0.1946(4) 0.3353(3) 0.2120(4) 0.0219(10) Uani 1 1 d . . .
C122 C 0.2120(5) 0.2314(4) 0.2002(4) 0.0413(14) Uani 1 1 d . . .
H122 H 0.2308 0.1903 0.1398 0.050 Uiso 1 1 calc R . .
C123 C 0.2027(5) 0.1874(4) 0.2740(4) 0.0390(13) Uani 1 1 d . . .
H123 H 0.2141 0.1162 0.2642 0.047 Uiso 1 1 calc R . .
C124 C 0.1773(5) 0.2451(4) 0.3603(5) 0.0418(13) Uani 1 1 d . . .
H124 H 0.1687 0.2139 0.4103 0.050 Uiso 1 1 calc R . .
C125 C 0.1637(7) 0.3494(5) 0.3766(5) 0.0564(17) Uani 1 1 d . . .
H125 H 0.1490 0.3908 0.4392 0.068 Uiso 1 1 calc R . .
C126 C 0.1716(5) 0.3936(4) 0.3016(4) 0.0387(13) Uani 1 1 d . . .
H126 H 0.1609 0.4650 0.3124 0.046 Uiso 1 1 calc R . .
C131 C 0.1182(4) 0.2873(3) -0.0231(4) 0.0265(11) Uani 1 1 d . . .
H13A H 0.1501 0.3011 -0.0754 0.032 Uiso 1 1 calc R . .
H13B H 0.1439 0.2206 -0.0146 0.032 Uiso 1 1 calc R . .
C211 C 0.0819(5) 0.8489(3) 0.2221(4) 0.0366(13) Uani 1 1 d . A .
C212 C 0.2044(6) 0.8783(4) 0.2998(4) 0.0499(16) Uani 1 1 d . . .
H212 H 0.2670 0.8439 0.2821 0.060 Uiso 1 1 calc R A .
C213 C 0.2356(8) 0.9571(5) 0.4025(5) 0.067(2) Uani 1 1 d . A .
H213 H 0.3194 0.9771 0.4549 0.080 Uiso 1 1 calc R . .
C214 C 0.1449(10) 1.0065(5) 0.4287(5) 0.076(3) Uani 1 1 d . . .
H214 H 0.1662 1.0596 0.4998 0.092 Uiso 1 1 calc R A .
C215 C 0.0257(8) 0.9800(4) 0.3538(5) 0.063(2) Uani 1 1 d . A .
H215 H -0.0359 1.0156 0.3722 0.076 Uiso 1 1 calc R . .
C216 C -0.0076(7) 0.8998(4) 0.2487(5) 0.0509(16) Uani 1 1 d . . .
H216 H -0.0915 0.8810 0.1965 0.061 Uiso 1 1 calc R A .
C21A C 0.117(2) 0.8010(9) 0.0158(15) 0.018(5) Uani 0.50 1 d PD A 1
C22A C 0.1096(14) 0.7419(8) -0.0880(11) 0.018(4) Uani 0.50 1 d PD A 1
H22D H 0.0748 0.6685 -0.1191 0.021 Uiso 0.50 1 calc PR A 1
C23A C 0.1519(18) 0.7873(12) -0.1487(13) 0.024(4) Uani 0.50 1 d PD A 1
H23D H 0.1454 0.7449 -0.2207 0.029 Uiso 0.50 1 calc PR A 1
C24A C 0.2023(16) 0.8918(14) -0.1052(11) 0.054(6) Uani 0.50 1 d PD A 1
H24A H 0.2311 0.9229 -0.1466 0.064 Uiso 0.50 1 calc PR A 1
C25A C 0.2118(19) 0.9530(8) -0.0006(12) 0.082(6) Uani 0.50 1 d PD A 1
H25A H 0.2493 1.0258 0.0307 0.098 Uiso 0.50 1 calc PR A 1
C26A C 0.1672(17) 0.9090(8) 0.0589(11) 0.066(5) Uani 0.50 1 d PD A 1
H26A H 0.1708 0.9525 0.1295 0.080 Uiso 0.50 1 calc PR A 1
C21B C 0.089(3) 0.8090(9) 0.0123(18) 0.029(7) Uani 0.50 1 d PD A 2
C22B C 0.1492(14) 0.7651(10) -0.0546(14) 0.035(5) Uani 0.50 1 d PD A 2
H22E H 0.1710 0.6973 -0.0592 0.042 Uiso 0.50 1 calc PR A 2
C23B C 0.180(2) 0.8174(14) -0.1162(15) 0.049(7) Uani 0.50 1 d PD A 2
H23E H 0.2211 0.7850 -0.1625 0.059 Uiso 0.50 1 calc PR A 2
C24B C 0.1503(16) 0.9145(11) -0.1097(11) 0.040(4) Uani 0.50 1 d PD A 2
H24B H 0.1717 0.9509 -0.1508 0.048 Uiso 0.50 1 calc PR A 2
C25B C 0.0890(13) 0.9605(7) -0.0433(9) 0.050(3) Uani 0.50 1 d PD A 2
H25B H 0.0673 1.0282 -0.0398 0.060 Uiso 0.50 1 calc PR A 2
C26B C 0.0589(12) 0.9094(7) 0.0182(9) 0.040(3) Uani 0.50 1 d PD A 2
H26B H 0.0179 0.9424 0.0646 0.048 Uiso 0.50 1 calc PR A 2
C100 C 0.4871(10) 0.8804(9) 0.1235(8) 0.140(3) Uani 1 1 d DU . .
Cl1A Cl 0.6488(5) 0.8965(5) 0.2165(6) 0.132(2) Uani 0.50 1 d PDU B 1
Cl2A Cl 0.4455(9) 1.0081(7) 0.1688(9) 0.262(6) Uani 0.50 1 d PDU B 1
Cl1B Cl 0.5847(9) 0.8774(5) 0.0499(11) 0.221(5) Uani 0.50 1 d PDU B 2
Cl2B Cl 0.5315(11) 0.9560(6) 0.2572(6) 0.207(3) Uani 0.50 1 d PDU B 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
N1 V1 Cl1 100.13(14) . . ?
N1 V1 Cl2 95.50(14) . . ?
Cl1 V1 Cl2 164.07(5) . . ?
N1 V1 Cl2 174.59(14) . 2_565 ?
Cl1 V1 Cl2 84.78(6) . 2_565 ?
Cl2 V1 Cl2 79.49(6) . 2_565 ?
N1 V1 P2 95.03(14) . . ?
Cl1 V1 P2 87.54(5) . . ?
Cl2 V1 P2 88.09(5) . . ?
Cl2 V1 P2 82.84(5) 2_565 . ?
N1 V1 P1 100.88(14) . . ?
Cl1 V1 P1 92.62(5) . . ?
Cl2 V1 P1 87.37(5) . . ?
Cl2 V1 P1 81.04(5) 2_565 . ?
P2 V1 P1 163.80(5) . . ?
C121 P1 C111 102.9(2) . . ?
C121 P1 C131 103.3(2) . . ?
C111 P1 C131 98.1(2) . . ?
C121 P1 V1 118.74(14) . . ?
C111 P1 V1 114.56(18) . . ?
C131 P1 V1 116.34(15) . . ?
C21B P2 C131 99.8(9) . 2_565 ?
C21B P2 C211 101.3(5) . . ?
C131 P2 C211 102.6(2) 2_565 . ?
C21B P2 C21A 10.7(14) . . ?
C131 P2 C21A 109.1(8) 2_565 . ?
C211 P2 C21A 103.6(5) . . ?
C21B P2 V1 127.7(7) . . ?
C131 P2 V1 112.57(15) 2_565 . ?
C211 P2 V1 109.83(18) . . ?
C21A P2 V1 117.7(7) . . ?
V1 Cl2 V1 100.51(6) . 2_565 ?
C1 N1 V1 175.6(3) . . ?
N1 C1 C2 118.4(6) . . ?
N1 C1 C6 119.4(5) . . ?
C2 C1 C6 122.2(5) . . ?
C3 C2 C1 116.8(7) . . ?
C3 C2 C21 121.5(7) . . ?
C1 C2 C21 121.7(5) . . ?
C4 C3 C2 121.4(8) . . ?
C3 C4 C5 122.3(6) . . ?
C4 C5 C6 119.5(8) . . ?
C5 C6 C1 117.8(7) . . ?
C5 C6 C61 119.9(6) . . ?
C1 C6 C61 122.3(4) . . ?
C2 C21 C22 111.4(7) . . ?
C2 C21 C23 113.8(8) . . ?
C22 C21 C23 109.0(6) . . ?
C6 C61 C62 111.8(6) . . ?
C6 C61 C63 115.1(6) . . ?
C62 C61 C63 108.6(5) . . ?
C116 C111 C112 118.1(5) . . ?
C116 C111 P1 122.7(4) . . ?
C112 C111 P1 119.1(4) . . ?
C113 C112 C111 120.7(6) . . ?
C114 C113 C112 120.1(7) . . ?
C113 C114 C115 120.3(6) . . ?
C114 C115 C116 120.7(7) . . ?
C111 C116 C115 120.0(6) . . ?
C126 C121 C122 118.1(5) . . ?
C126 C121 P1 119.5(4) . . ?
C122 C121 P1 122.5(3) . . ?
C123 C122 C121 121.2(5) . . ?
C124 C123 C122 120.0(5) . . ?
C123 C124 C125 120.2(5) . . ?
C126 C125 C124 119.9(5) . . ?
C121 C126 C125 120.6(5) . . ?
P2 C131 P1 121.5(2) 2_565 . ?
C216 C211 C212 119.1(5) . . ?
C216 C211 P2 124.7(5) . . ?
C212 C211 P2 116.2(4) . . ?
C213 C212 C211 120.6(7) . . ?
C214 C213 C212 119.8(7) . . ?
C215 C214 C213 120.5(6) . . ?
C214 C215 C216 120.3(7) . . ?
C211 C216 C215 119.7(7) . . ?
C22A C21A C26A 118.0(8) . . ?
C22A C21A P2 120.2(9) . . ?
C26A C21A P2 121.7(9) . . ?
C21A C22A C23A 121.4(9) . . ?
C24A C23A C22A 120.0(11) . . ?
C23A C24A C25A 119.8(9) . . ?
C24A C25A C26A 120.5(8) . . ?
C25A C26A C21A 120.3(8) . . ?
C22B C21B C26B 117.9(8) . . ?
C22B C21B P2 120.3(10) . . ?
C26B C21B P2 121.7(11) . . ?
C21B C22B C23B 121.6(10) . . ?
C24B C23B C22B 119.8(11) . . ?
C23B C24B C25B 119.8(9) . . ?
C24B C25B C26B 120.7(8) . . ?
C25B C26B C21B 120.1(8) . . ?
Cl2B C100 Cl1B 122.5(8) . . ?
Cl2B C100 Cl2A 56.8(6) . . ?
Cl1B C100 Cl2A 112.5(8) . . ?
Cl2B C100 Cl1A 61.7(6) . . ?
Cl1B C100 Cl1A 70.2(6) . . ?
Cl2A C100 Cl1A 104.8(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
V1 N1 1.685(3) . ?
V1 Cl1 2.3396(14) . ?
V1 Cl2 2.4128(15) . ?
V1 Cl2 2.5365(15) 2_565 ?
V1 P2 2.5452(15) . ?
V1 P1 2.6068(15) . ?
P1 C121 1.822(5) . ?
P1 C111 1.823(5) . ?
P1 C131 1.855(4) . ?
P2 C21B 1.805(13) . ?
P2 C131 1.835(5) 2_565 ?
P2 C211 1.835(4) . ?
P2 C21A 1.864(11) . ?
Cl2 V1 2.5365(15) 2_565 ?
N1 C1 1.396(6) . ?
C1 C2 1.410(10) . ?
C1 C6 1.411(9) . ?
C2 C3 1.398(9) . ?
C2 C21 1.497(11) . ?
C3 C4 1.358(12) . ?
C4 C5 1.371(12) . ?
C5 C6 1.408(8) . ?
C6 C61 1.504(10) . ?
C21 C22 1.538(13) . ?
C21 C23 1.559(10) . ?
C61 C62 1.522(9) . ?
C61 C63 1.537(9) . ?
C111 C116 1.379(8) . ?
C111 C112 1.391(8) . ?
C112 C113 1.380(8) . ?
C113 C114 1.352(11) . ?
C114 C115 1.356(11) . ?
C115 C116 1.388(9) . ?
C121 C126 1.368(7) . ?
C121 C122 1.393(7) . ?
C122 C123 1.371(8) . ?
C123 C124 1.345(8) . ?
C124 C125 1.381(8) . ?
C125 C126 1.380(8) . ?
C131 P2 1.835(5) 2_565 ?
C211 C216 1.376(8) . ?
C211 C212 1.392(9) . ?
C212 C213 1.383(8) . ?
C213 C214 1.376(12) . ?
C214 C215 1.353(12) . ?
C215 C216 1.411(8) . ?
C21A C22A 1.372(12) . ?
C21A C26A 1.397(13) . ?
C22A C23A 1.395(11) . ?
C23A C24A 1.355(15) . ?
C24A C25A 1.381(14) . ?
C25A C26A 1.383(12) . ?
C21B C22B 1.372(12) . ?
C21B C26B 1.398(13) . ?
C22B C23B 1.395(11) . ?
C23B C24B 1.355(15) . ?
C24B C25B 1.379(14) . ?
C25B C26B 1.382(12) . ?
C100 Cl2B 1.671(11) . ?
C100 Cl1B 1.784(12) . ?
C100 Cl2A 1.792(13) . ?
C100 Cl1A 1.823(11) . ?
