#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/09/7050914.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_7050914
loop_
_publ_author_name
'Durran, Sean E.'
'Elsegood, Mark R. J.'
'Smith, Martin B.'
_publ_section_title
;
 New complexes of functionalised ligands bearing P/N/Se or P2Se donor
 sets
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1402
_journal_paper_doi               10.1039/b204005k
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C31.5 H30.5 Cl9.5 N P Pd Se'
_chemical_formula_weight         976.17
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.698(2)
_cell_angle_beta                 108.957(2)
_cell_angle_gamma                100.683(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2746(8)
_cell_length_b                   14.3334(11)
_cell_length_c                   14.3424(11)
_cell_measurement_reflns_used    4947
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.50
_cell_measurement_theta_min      2.30
_cell_volume                     1911.5(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.848
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15524
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.95
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.168
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.592
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             966
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.222
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         8565
_refine_ls_number_restraints     189
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0442
_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)+(0.0624P)²+0.3221P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1206
_reflns_number_gt                6163
_reflns_number_total             8565
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b204005k.txt
_cod_data_source_block           4d.2.5CHCl3
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C31.50 H30.50 Cl9.50 N P Pd Se'
_cod_database_code               7050914
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
Pd1 Pd -0.03362(3) 0.95772(2) 0.72244(2) 0.01893(9) Uani 1 1 d . . .
Cl1 Cl -0.24649(11) 0.92192(8) 0.57637(8) 0.0317(2) Uani 1 1 d . . .
Cl2 Cl -0.15602(11) 0.87124(8) 0.80207(8) 0.0273(2) Uani 1 1 d . . .
P1 P 0.17207(11) 0.97639(7) 0.84684(7) 0.0175(2) Uani 1 1 d . . .
C1 C 0.2533(4) 1.1016(3) 0.9168(3) 0.0210(8) Uani 1 1 d . . .
C2 C 0.3927(4) 1.1475(3) 0.9289(3) 0.0259(9) Uani 1 1 d . . .
H2 H 0.4456 1.1143 0.8983 0.031 Uiso 1 1 calc R . .
C3 C 0.4523(5) 1.2430(3) 0.9871(3) 0.0343(10) Uani 1 1 d . . .
H3 H 0.5464 1.2752 0.9956 0.041 Uiso 1 1 calc R . .
C4 C 0.3765(5) 1.2908(3) 1.0318(3) 0.0339(11) Uani 1 1 d . . .
H4 H 0.4188 1.3554 1.0719 0.041 Uiso 1 1 calc R . .
C5 C 0.2393(5) 1.2457(3) 1.0190(3) 0.0325(10) Uani 1 1 d . . .
H5 H 0.1870 1.2792 1.0498 0.039 Uiso 1 1 calc R . .
C6 C 0.1770(5) 1.1507(3) 0.9606(3) 0.0238(9) Uani 1 1 d . . .
H6 H 0.0819 1.1199 0.9512 0.029 Uiso 1 1 calc R . .
C7 C 0.1808(4) 0.9031(3) 0.9401(3) 0.0208(8) Uani 1 1 d . . .
C8 C 0.2334(4) 0.9456(3) 1.0430(3) 0.0242(9) Uani 1 1 d . . .
H8 H 0.2647 1.0146 1.0660 0.029 Uiso 1 1 calc R . .
C9 C 0.2401(5) 0.8867(3) 1.1127(3) 0.0328(10) Uani 1 1 d . . .
H9 H 0.2745 0.9155 1.1830 0.039 Uiso 1 1 calc R . .
C10 C 0.1969(5) 0.7867(3) 1.0794(3) 0.0326(10) Uani 1 1 d . . .
H10 H 0.2030 0.7469 1.1272 0.039 Uiso 1 1 calc R . .
C11 C 0.1450(5) 0.7439(3) 0.9779(3) 0.0314(10) Uani 1 1 d . . .
H11 H 0.1158 0.6749 0.9558 0.038 Uiso 1 1 calc R . .
C12 C 0.1352(4) 0.8019(3) 0.9070(3) 0.0254(9) Uani 1 1 d . . .
H12 H 0.0976 0.7725 0.8366 0.030 Uiso 1 1 calc R . .
C13 C 0.2895(4) 0.9424(3) 0.7838(3) 0.0209(8) Uani 1 1 d . . .
C14 C 0.3857(4) 0.8879(3) 0.8236(3) 0.0245(9) Uani 1 1 d . . .
H14 H 0.3880 0.8670 0.8838 0.029 Uiso 1 1 calc R . .
C15 C 0.4773(5) 0.8639(3) 0.7767(3) 0.0318(10) Uani 1 1 d . . .
H15 H 0.5417 0.8270 0.8048 0.038 Uiso 1 1 calc R . .
C16 C 0.4751(5) 0.8934(3) 0.6897(3) 0.0325(10) Uani 1 1 d . . .
H16 H 0.5368 0.8761 0.6568 0.039 Uiso 1 1 calc R . .
C17 C 0.3821(5) 0.9489(3) 0.6498(3) 0.0291(10) Uani 1 1 d . . .
H17 H 0.3829 0.9710 0.5907 0.035 Uiso 1 1 calc R . .
C18 C 0.2867(4) 0.9729(3) 0.6957(3) 0.0214(8) Uani 1 1 d . . .
C19 C 0.1979(4) 1.0346(3) 0.6487(3) 0.0236(9) Uani 1 1 d . . .
H19 H 0.2317 1.0732 0.6090 0.028 Uiso 1 1 calc R . .
N1 N 0.0791(3) 1.0411(2) 0.6562(2) 0.0198(7) Uani 1 1 d . . .
C20 C 0.0126(5) 1.1132(3) 0.6074(3) 0.0302(10) Uani 1 1 d . . .
H20A H -0.0820 1.0791 0.5556 0.036 Uiso 1 1 calc R . .
H20B H 0.0719 1.1441 0.5726 0.036 Uiso 1 1 calc R . .
C21 C -0.0044(5) 1.1923(3) 0.6836(4) 0.0357(11) Uani 1 1 d . B .
H21A H -0.0733 1.2258 0.6459 0.043 Uiso 1 1 calc R . .
H21B H -0.0462 1.1602 0.7275 0.043 Uiso 1 1 calc R . .
C22 C 0.1299(5) 1.2683(3) 0.7506(4) 0.0401(11) Uani 1 1 d DU . .
H22A H 0.1187 1.2925 0.8153 0.048 Uiso 0.50 1 calc PR A -1
H22B H 0.2090 1.2358 0.7664 0.048 Uiso 0.50 1 calc PR A -1
H22C H 0.1896 1.2382 0.8005 0.048 Uiso 0.50 1 d PR A 2
H22D H 0.1843 1.2906 0.7089 0.048 Uiso 0.50 1 d PR A 2
C23 C 0.1702(10) 1.3493(6) 0.7126(7) 0.038(2) Uani 0.50 1 d PDU B -1
H23A H 0.0852 1.3727 0.6808 0.046 Uiso 0.50 1 calc PR B -1
H23B H 0.2077 1.3288 0.6595 0.046 Uiso 0.50 1 calc PR B -1
Se1 Se 0.31449(11) 1.45642(7) 0.81778(8) 0.0382(2) Uani 0.50 1 d PDU B -1
C24 C 0.2141(14) 1.4792(12) 0.9058(9) 0.042(3) Uani 0.50 1 d PDU B -1
C25 C 0.2937(10) 1.5158(6) 1.0087(7) 0.0355(19) Uani 0.50 1 d PDU B -1
H25 H 0.3946 1.5305 1.0318 0.043 Uiso 0.50 1 calc PR B -1
C26 C 0.2266(11) 1.5312(6) 1.0780(7) 0.040(2) Uani 0.50 1 d PDU B -1
H26 H 0.2826 1.5561 1.1478 0.048 Uiso 0.50 1 calc PR B -1
C27 C 0.0834(12) 1.5112(6) 1.0475(8) 0.041(2) Uani 0.50 1 d PDU B -1
H27 H 0.0390 1.5217 1.0955 0.049 Uiso 0.50 1 calc PR B -1
C28 C 0.0009(11) 1.4746(7) 0.9443(8) 0.040(2) Uani 0.50 1 d PDU B -1
H28 H -0.0998 1.4598 0.9222 0.048 Uiso 0.50 1 calc PR B -1
C29 C 0.0671(10) 1.4601(6) 0.8742(7) 0.037(2) Uani 0.50 1 d PDU B -1
H29 H 0.0109 1.4370 0.8042 0.045 Uiso 0.50 1 calc PR B -1
C23X C 0.1021(10) 1.3554(6) 0.8068(7) 0.038(2) Uani 0.50 1 d PDU B 2
H23C H 0.0498 1.3315 0.8490 0.046 Uiso 0.50 1 calc PR B 2
H23D H 0.0368 1.3814 0.7558 0.046 Uiso 0.50 1 calc PR B 2
Se1X Se 0.25966(16) 1.46466(13) 0.89374(11) 0.0441(4) Uani 0.50 1 d PDU B 2
C24X C 0.3084(10) 1.5181(6) 0.7928(7) 0.0331(19) Uani 0.50 1 d PDU B 2
C25X C 0.2535(10) 1.5916(6) 0.7557(8) 0.040(2) Uani 0.50 1 d PDU B 2
H25X H 0.1837 1.6134 0.7771 0.047 Uiso 0.50 1 calc PR B 2
C26X C 0.3001(12) 1.6338(8) 0.6869(8) 0.050(2) Uani 0.50 1 d PDU B 2
H26X H 0.2605 1.6839 0.6618 0.060 Uiso 0.50 1 calc PR B 2
C27X C 0.4006(12) 1.6054(8) 0.6548(8) 0.053(3) Uani 0.50 1 d PDU B 2
H27X H 0.4312 1.6348 0.6080 0.063 Uiso 0.50 1 calc PR B 2
C28X C 0.4581(11) 1.5307(7) 0.6932(8) 0.046(2) Uani 0.50 1 d PDU B 2
H28X H 0.5296 1.5105 0.6727 0.055 Uiso 0.50 1 calc PR B 2
C29X C 0.4119(10) 1.4868(7) 0.7600(7) 0.041(2) Uani 0.50 1 d PDU B 2
H29X H 0.4498 1.4356 0.7839 0.049 Uiso 0.50 1 calc PR B 2
C30 C 0.5497(5) 1.2363(3) 0.6078(4) 0.0407(12) Uani 1 1 d . . .
H30 H 0.4670 1.2239 0.5429 0.049 Uiso 1 1 calc R . .
Cl3 Cl 0.67379(17) 1.34103(10) 0.61574(14) 0.0677(5) Uani 1 1 d . . .
Cl4 Cl 0.48683(17) 1.25060(12) 0.70946(13) 0.0659(4) Uani 1 1 d . . .
Cl5 Cl 0.62139(13) 1.13428(9) 0.60713(10) 0.0413(3) Uani 1 1 d . . .
C31 C -0.3010(11) 1.6402(8) 0.6637(8) 0.063(4) Uani 0.50 1 d PD C 1
H31 H -0.2644 1.7127 0.6810 0.076 Uiso 0.50 1 calc PR C 1
Cl6 Cl -0.1731(7) 1.5963(5) 0.7483(4) 0.0716(15) Uani 0.50 1 d PD C 1
Cl7 Cl -0.4611(4) 1.6169(3) 0.6862(3) 0.0841(12) Uani 0.50 1 d PD C 1
Cl8 Cl -0.32706(19) 1.59751(14) 0.52414(16) 0.0893(6) Uani 1 1 d D . .
C31X C -0.1805(9) 1.6709(7) 0.6217(7) 0.044(2) Uani 0.50 1 d PD C 2
H31X H -0.2072 1.7290 0.6511 0.053 Uiso 0.50 1 calc PR C 2
Cl6X Cl -0.1472(7) 1.5978(4) 0.7104(4) 0.0574(12) Uani 0.50 1 d PD C 2
Cl7X Cl -0.0324(4) 1.7109(3) 0.5912(3) 0.0543(9) Uani 0.50 1 d PD C 2
C32 C 0.1137(11) 1.6642(7) 0.5659(7) 0.049(3) Uani 0.50 1 d PD D 1
H32 H 0.1965 1.6987 0.5515 0.059 Uiso 0.50 1 calc PR D 1
Cl9 Cl 0.0023(4) 1.5764(2) 0.4566(2) 0.0659(9) Uani 0.50 1 d PD D 1
Cl10 Cl 0.1795(4) 1.6113(2) 0.6680(2) 0.0623(8) Uani 0.50 1 d PD D 1
Cl11 Cl 0.0237(4) 1.7517(2) 0.5962(3) 0.0494(8) Uani 0.50 1 d PD D 1
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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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 Pd1 P1 86.94(9) . . ?
N1 Pd1 Cl2 177.32(9) . . ?
P1 Pd1 Cl2 91.93(4) . . ?
N1 Pd1 Cl1 91.66(9) . . ?
P1 Pd1 Cl1 172.64(4) . . ?
Cl2 Pd1 Cl1 89.76(4) . . ?
C7 P1 C1 106.49(18) . . ?
C7 P1 C13 105.68(18) . . ?
C1 P1 C13 106.39(18) . . ?
C7 P1 Pd1 119.22(13) . . ?
C1 P1 Pd1 113.35(13) . . ?
C13 P1 Pd1 104.75(13) . . ?
C6 C1 C2 120.2(4) . . ?
C6 C1 P1 118.7(3) . . ?
C2 C1 P1 121.1(3) . . ?
C3 C2 C1 118.7(4) . . ?
C4 C3 C2 120.8(4) . . ?
C3 C4 C5 120.3(4) . . ?
C4 C5 C6 120.1(4) . . ?
C1 C6 C5 119.9(4) . . ?
C8 C7 C12 119.9(4) . . ?
C8 C7 P1 121.4(3) . . ?
C12 C7 P1 118.7(3) . . ?
C7 C8 C9 119.7(4) . . ?
C10 C9 C8 120.1(4) . . ?
C11 C10 C9 120.7(4) . . ?
C10 C11 C12 120.0(4) . . ?
C7 C12 C11 119.6(4) . . ?
C18 C13 C14 119.2(4) . . ?
C18 C13 P1 119.6(3) . . ?
C14 C13 P1 121.2(3) . . ?
C15 C14 C13 121.1(4) . . ?
C16 C15 C14 120.2(4) . . ?
C15 C16 C17 119.6(4) . . ?
C16 C17 C18 121.1(4) . . ?
C13 C18 C17 118.8(4) . . ?
C13 C18 C19 125.2(4) . . ?
C17 C18 C19 115.8(4) . . ?
N1 C19 C18 125.9(4) . . ?
C19 N1 C20 116.4(3) . . ?
C19 N1 Pd1 126.9(3) . . ?
C20 N1 Pd1 116.7(3) . . ?
N1 C20 C21 112.1(4) . . ?
C22 C21 C20 116.0(4) . . ?
C23 C22 C21 117.1(5) . . ?
C23X C22 C21 113.1(5) . . ?
C22 C23 Se1 112.6(6) . . ?
C24 Se1 C23 99.4(5) . . ?
C29 C24 C25 118.3(10) . . ?
C29 C24 Se1 124.1(9) . . ?
C25 C24 Se1 117.6(9) . . ?
C24 C25 C26 120.6(10) . . ?
C27 C26 C25 121.1(9) . . ?
C26 C27 C28 119.3(10) . . ?
C29 C28 C27 120.0(10) . . ?
C24 C29 C28 120.6(9) . . ?
C22 C23X Se1X 120.1(6) . . ?
C24X Se1X C23X 99.1(4) . . ?
C25X C24X C29X 118.8(9) . . ?
C25X C24X Se1X 122.1(7) . . ?
C29X C24X Se1X 118.9(7) . . ?
C24X C25X C26X 120.2(9) . . ?
C27X C26X C25X 122.0(9) . . ?
C26X C27X C28X 118.1(10) . . ?
C29X C28X C27X 120.9(9) . . ?
C28X C29X C24X 120.0(9) . . ?
Cl3 C30 Cl5 111.3(3) . . ?
Cl3 C30 Cl4 111.4(3) . . ?
Cl5 C30 Cl4 109.1(3) . . ?
Cl7 C31 Cl6 110.2(7) . . ?
Cl7 C31 Cl8 113.0(5) . . ?
Cl6 C31 Cl8 114.4(6) . . ?
Cl8 C31X Cl7X 115.8(5) . . ?
Cl8 C31X Cl6X 102.7(5) . . ?
Cl7X C31X Cl6X 111.9(6) . . ?
Cl9 C32 Cl10 111.7(5) . . ?
Cl9 C32 Cl11 110.4(6) . . ?
Cl10 C32 Cl11 111.0(5) . . ?
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
Pd1 N1 2.054(3) . ?
Pd1 P1 2.2175(10) . ?
Pd1 Cl2 2.2816(10) . ?
Pd1 Cl1 2.3911(11) . ?
P1 C7 1.812(4) . ?
P1 C1 1.812(4) . ?
P1 C13 1.818(4) . ?
C1 C6 1.377(6) . ?
C1 C2 1.403(6) . ?
C2 C3 1.399(6) . ?
C3 C4 1.370(7) . ?
C4 C5 1.377(7) . ?
C5 C6 1.396(5) . ?
C7 C8 1.390(5) . ?
C7 C12 1.394(5) . ?
C8 C9 1.396(6) . ?
C9 C10 1.378(6) . ?
C10 C11 1.373(6) . ?
C11 C12 1.399(6) . ?
C13 C18 1.391(5) . ?
C13 C14 1.403(5) . ?
C14 C15 1.385(6) . ?
C15 C16 1.372(6) . ?
C16 C17 1.392(6) . ?
C17 C18 1.410(6) . ?
C18 C19 1.465(6) . ?
C19 N1 1.279(5) . ?
N1 C20 1.481(5) . ?
C20 C21 1.528(6) . ?
C21 C22 1.510(6) . ?
C22 C23 1.405(9) . ?
C22 C23X 1.506(9) . ?
C23 Se1 1.958(9) . ?
Se1 C24 1.900(11) . ?
C24 C29 1.388(14) . ?
C24 C25 1.395(14) . ?
C25 C26 1.395(12) . ?
C26 C27 1.352(13) . ?
C27 C28 1.403(12) . ?
C28 C29 1.396(12) . ?
C23X Se1X 1.946(8) . ?
Se1X C24X 1.896(9) . ?
C24X C25X 1.380(11) . ?
C24X C29X 1.411(12) . ?
C25X C26X 1.397(13) . ?
C26X C27X 1.361(14) . ?
C27X C28X 1.414(13) . ?
C28X C29X 1.381(13) . ?
C30 Cl3 1.743(5) . ?
C30 Cl5 1.755(5) . ?
C30 Cl4 1.777(6) . ?
C31 Cl7 1.759(11) . ?
C31 Cl6 1.760(11) . ?
C31 Cl8 1.917(10) . ?
Cl8 C31X 1.712(9) . ?
C31X Cl7X 1.739(9) . ?
C31X Cl6X 1.756(10) . ?
C32 Cl9 1.747(10) . ?
C32 Cl10 1.748(10) . ?
C32 Cl11 1.774(10) . ?
