#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:43:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179303 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/00/4320098.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_4320098
loop_
_publ_author_name
'Mario Barberis'
'Francisco Estevan'
'Pascual Lahuerta'
'Julia Pérez-Prieto'
'Mercedes Sanaú'
_publ_section_title
;
 New Dinuclear Catalysts Rh2(N-O)2[(C6H4)P(C6H5)2]2 with Imidate Ligands:
 Synthesis and Isomerization from Head-to-Tail to Head-to-Head
 Configuration of the Imidate Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4226
_journal_page_last               4229
_journal_paper_doi               10.1021/ic010257d
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C46 H39 Cl4 N2 O6 P2 Rh2'
_chemical_formula_weight         1125.35
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.930(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0387(8)
_cell_length_b                   24.741(2)
_cell_length_c                   19.2080(17)
_cell_measurement_temperature    296(2)
_cell_volume                     4764.4(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.611
_diffrn_measured_fraction_theta_max 0.611
_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  0.0882
_diffrn_reflns_av_sigmaI/netI    0.1792
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            19807
_diffrn_reflns_theta_full        32.25
_diffrn_reflns_theta_max         32.25
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    1.033
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2260
_refine_diff_density_max         1.909
_refine_diff_density_min         -1.087
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         10314
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.1693
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.063
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0760P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.1823
_reflns_number_gt                4834
_reflns_number_total             10314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010257d_2.cif
_cod_data_source_block           4(CH2Cl2)2
_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.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4764.3(7)
_cod_database_code               4320098
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Rh2 Rh 0.90602(7) 0.09263(2) 0.18583(3) 0.03282(19) Uani 1 1 d . . .
P2 P 0.8481(2) 0.17884(9) 0.18366(10) 0.0379(6) Uani 1 1 d . . .
N1 N 0.7228(9) -0.0094(3) 0.1770(3) 0.044(2) Uani 1 1 d . . .
O5 O 0.5230(9) -0.0526(3) 0.1545(3) 0.076(2) Uani 1 1 d . . .
C7 C 0.6810(12) 0.0723(5) -0.0181(4) 0.089(4) Uani 1 1 d . . .
H7A H 0.6230 0.0416 -0.0282 0.107 Uiso 1 1 calc R . .
H7B H 0.6409 0.1044 -0.0390 0.107 Uiso 1 1 calc R . .
Rh1 Rh 0.66578(7) 0.07033(3) 0.20972(3) 0.0345(2) Uani 1 1 d . . .
P1 P 0.7322(2) 0.05568(8) 0.32001(9) 0.0358(6) Uani 1 1 d . . .
N2 N 0.8394(8) 0.0766(3) 0.0782(3) 0.0392(18) Uani 1 1 d . . .
O1 O 0.9471(6) 0.0067(2) 0.1910(3) 0.0455(16) Uani 1 1 d . . .
O2 O 0.6203(7) 0.0857(3) 0.1000(3) 0.0566(18) Uani 1 1 d . . .
C4 C 0.8516(11) -0.0244(3) 0.1767(4) 0.038(2) Uani 1 1 d . . .
Cl3 Cl 0.3629(6) 0.2772(3) 0.0774(3) 0.191(2) Uani 1 1 d . . .
O3 O 0.4424(7) 0.0405(3) 0.2027(3) 0.0667(19) Uani 1 1 d . . .
C1 C 0.6431(12) -0.0540(4) 0.1604(4) 0.053(3) Uani 1 1 d . . .
Cl4 Cl 0.3216(7) 0.1755(4) 0.0153(3) 0.264(4) Uani 1 1 d . . .
O4 O 1.1271(7) 0.0945(3) 0.1475(3) 0.0647(19) Uani 1 1 d . . .
C3 C 0.8698(13) -0.0843(4) 0.1622(6) 0.076(4) Uani 1 1 d . . .
H3A H 0.9213 -0.0899 0.1215 0.091 Uiso 1 1 calc R . .
H3B H 0.9138 -0.1024 0.2018 0.091 Uiso 1 1 calc R . .
C2 C 0.7313(13) -0.1040(4) 0.1499(6) 0.084(4) Uani 1 1 d . . .
H2A H 0.7116 -0.1323 0.1829 0.100 Uiso 1 1 calc R . .
H2B H 0.7175 -0.1181 0.1030 0.100 Uiso 1 1 calc R . .
O6 O 1.0289(8) 0.0670(3) 0.0210(3) 0.066(2) Uani 1 1 d . . .
C6 C 0.8165(12) 0.0628(5) -0.0435(4) 0.080(4) Uani 1 1 d . . .
H6A H 0.8374 0.0891 -0.0788 0.096 Uiso 1 1 calc R . .
H6B H 0.8236 0.0268 -0.0630 0.096 Uiso 1 1 calc R . .
C8 C 0.7061(12) 0.0793(4) 0.0586(4) 0.057(3) Uani 1 1 d . . .
C5 C 0.9075(12) 0.0691(4) 0.0206(4) 0.050(3) Uani 1 1 d . . .
C11 C 0.9017(8) 0.0813(3) 0.3401(4) 0.035(2) Uani 1 1 d . . .
C15 C 1.0798(11) 0.1028(4) 0.4235(4) 0.064(3) Uani 1 1 d . . .
H15 H 1.1147 0.1036 0.4693 0.077 Uiso 1 1 calc R . .
C16 C 0.9569(10) 0.0818(4) 0.4091(4) 0.053(3) Uani 1 1 d . . .
H16 H 0.9086 0.0676 0.4449 0.064 Uiso 1 1 calc R . .
C13 C 1.0991(9) 0.1227(3) 0.3017(4) 0.048(2) Uani 1 1 d . . .
H13 H 1.1487 0.1367 0.2663 0.058 Uiso 1 1 calc R . .
C14 C 1.1530(10) 0.1228(4) 0.3711(4) 0.053(3) Uani 1 1 d . . .
H14 H 1.2382 0.1364 0.3812 0.063 Uiso 1 1 calc R . .
C12 C 0.9701(9) 0.1016(3) 0.2858(4) 0.038(2) Uani 1 1 d . . .
C20 C 0.3593(16) 0.2074(7) 0.0869(8) 0.130(6) Uani 1 1 d . . .
H20 H 0.3775 0.1900 0.1292 0.157 Uiso 1 1 calc R . .
C24 C 0.735(2) -0.1270(5) 0.3620(6) 0.109(7) Uani 1 1 d . . .
H24 H 0.7344 -0.1641 0.3696 0.131 Uiso 1 1 calc R . .
C23 C 0.6200(17) -0.1028(5) 0.3348(6) 0.096(5) Uani 1 1 d . . .
H23 H 0.5430 -0.1228 0.3249 0.115 Uiso 1 1 calc R . .
C26 C 0.8494(12) -0.0424(4) 0.3679(4) 0.068(3) Uani 1 1 d . . .
H26 H 0.9259 -0.0225 0.3796 0.082 Uiso 1 1 calc R . .
C25 C 0.8486(18) -0.0986(5) 0.3783(6) 0.099(5) Uani 1 1 d . . .
H25 H 0.9247 -0.1163 0.3961 0.119 Uiso 1 1 calc R . .
C22 C 0.6232(12) -0.0462(4) 0.3221(4) 0.062(3) Uani 1 1 d . . .
H22 H 0.5487 -0.0291 0.3015 0.074 Uiso 1 1 calc R . .
C21 C 0.7361(10) -0.0167(3) 0.3403(4) 0.040(2) Uani 1 1 d . . .
C31 C 0.6354(10) 0.0852(3) 0.3893(3) 0.044(2) Uani 1 1 d . . .
C32 C 0.6604(11) 0.1375(4) 0.4077(5) 0.060(3) Uani 1 1 d . . .
H32 H 0.7264 0.1570 0.3866 0.073 Uiso 1 1 calc R . .
C34 C 0.4859(13) 0.1338(5) 0.4906(5) 0.076(4) Uani 1 1 d . . .
H34 H 0.4347 0.1502 0.5237 0.092 Uiso 1 1 calc R . .
C35 C 0.4651(11) 0.0816(5) 0.4718(5) 0.071(3) Uani 1 1 d . . .
H35 H 0.4005 0.0619 0.4939 0.086 Uiso 1 1 calc R . .
C33 C 0.5852(11) 0.1619(5) 0.4593(5) 0.068(3) Uani 1 1 d . . .
H33 H 0.6029 0.1975 0.4723 0.081 Uiso 1 1 calc R . .
C36 C 0.5369(10) 0.0558(4) 0.4203(5) 0.055(3) Uani 1 1 d . . .
H36 H 0.5189 0.0202 0.4074 0.067 Uiso 1 1 calc R . .
C44 C 0.8129(15) 0.2394(5) -0.0450(6) 0.085(4) Uani 1 1 d . . .
H44 H 0.8035 0.2497 -0.0916 0.101 Uiso 1 1 calc R . .
C43 C 0.7134(14) 0.2520(5) -0.0011(6) 0.086(4) Uani 1 1 d . . .
H43 H 0.6412 0.2729 -0.0172 0.103 Uiso 1 1 calc R . .
C42 C 0.7206(11) 0.2329(4) 0.0695(5) 0.064(3) Uani 1 1 d . . .
H42 H 0.6507 0.2392 0.0984 0.077 Uiso 1 1 calc R . .
C41 C 0.8350(10) 0.2044(3) 0.0947(4) 0.045(2) Uani 1 1 d . . .
C45 C 0.9297(14) 0.2112(4) -0.0209(5) 0.079(4) Uani 1 1 d . . .
H45 H 1.0001 0.2050 -0.0495 0.095 Uiso 1 1 calc R . .
C46 C 0.9328(11) 0.1929(4) 0.0498(4) 0.059(3) Uani 1 1 d . . .
H46 H 1.0050 0.1722 0.0662 0.071 Uiso 1 1 calc R . .
C54 C 1.1135(13) 0.3058(4) 0.2959(7) 0.082(4) Uani 1 1 d . . .
H54 H 1.1603 0.3339 0.3179 0.099 Uiso 1 1 calc R . .
C51 C 0.9584(10) 0.2284(3) 0.2270(4) 0.044(2) Uani 1 1 d . . .
C53 C 1.0271(14) 0.2784(4) 0.3331(6) 0.078(4) Uani 1 1 d . . .
H53 H 1.0201 0.2850 0.3804 0.094 Uiso 1 1 calc R . .
C52 C 0.9461(11) 0.2387(4) 0.2979(5) 0.063(3) Uani 1 1 d . . .
H52 H 0.8843 0.2194 0.3225 0.076 Uiso 1 1 calc R . .
C55 C 1.1379(11) 0.2954(4) 0.2283(6) 0.073(3) Uani 1 1 d . . .
H55 H 1.2057 0.3127 0.2057 0.088 Uiso 1 1 calc R . .
C56 C 1.0538(10) 0.2569(4) 0.1946(5) 0.052(3) Uani 1 1 d . . .
H56 H 1.0640 0.2504 0.1475 0.063 Uiso 1 1 calc R . .
C66 C 0.6435(11) 0.2431(4) 0.2351(5) 0.053(3) Uani 1 1 d . . .
H66 H 0.6980 0.2727 0.2278 0.064 Uiso 1 1 calc R . .
C61 C 0.6892(8) 0.1916(3) 0.2200(4) 0.037(2) Uani 1 1 d . . .
C62 C 0.6110(11) 0.1454(3) 0.2349(4) 0.049(3) Uani 1 1 d . . .
C63 C 0.4851(10) 0.1549(4) 0.2632(4) 0.048(2) Uani 1 1 d . . .
H63 H 0.4318 0.1258 0.2746 0.057 Uiso 1 1 calc R . .
C64 C 0.4412(11) 0.2072(4) 0.2739(4) 0.059(3) Uani 1 1 d . . .
H64 H 0.3568 0.2127 0.2904 0.071 Uiso 1 1 calc R . .
C65 C 0.5196(12) 0.2513(4) 0.2605(5) 0.062(3) Uani 1 1 d . . .
H65 H 0.4892 0.2861 0.2686 0.075 Uiso 1 1 calc R . .
C10 C 0.2114(16) 0.9773(6) 0.3226(7) 0.130(6) Uani 1 1 d . . .
H10A H 0.1233 0.9933 0.3171 0.156 Uiso 1 1 calc R . .
H10B H 0.2764 1.0056 0.3165 0.156 Uiso 1 1 calc R . .
Cl1 Cl 0.2275(6) 0.93020(18) 0.2605(3) 0.165(2) Uani 1 1 d . . .
Cl2 Cl 0.2337(5) 0.9508(2) 0.4069(2) 0.168(2) Uani 1 1 d . . .
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'
O O 0.0106 0.0060 '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'
Rh Rh -1.1178 0.9187 '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
C12 Rh2 O1 90.8(3) . . ?
C12 Rh2 N2 175.8(3) . . ?
O1 Rh2 N2 85.0(2) . . ?
C12 Rh2 P2 89.0(2) . . ?
O1 Rh2 P2 175.39(18) . . ?
N2 Rh2 P2 95.19(18) . . ?
C12 Rh2 O4 92.0(3) . . ?
O1 Rh2 O4 81.6(2) . . ?
N2 Rh2 O4 87.5(2) . . ?
P2 Rh2 O4 102.98(18) . . ?
C12 Rh2 Rh1 96.4(3) . . ?
O1 Rh2 Rh1 87.65(17) . . ?
N2 Rh2 Rh1 83.29(19) . . ?
P2 Rh2 Rh1 87.81(7) . . ?
O4 Rh2 Rh1 166.41(16) . . ?
C61 P2 C41 106.3(4) . . ?
C61 P2 C51 103.5(4) . . ?
C41 P2 C51 102.0(4) . . ?
C61 P2 Rh2 113.5(3) . . ?
C41 P2 Rh2 111.1(3) . . ?
C51 P2 Rh2 119.2(3) . . ?
C4 N1 C1 108.8(8) . . ?
C4 N1 Rh1 121.5(6) . . ?
C1 N1 Rh1 129.4(7) . . ?
C6 C7 C8 103.4(8) . . ?
C62 Rh1 N1 177.0(3) . . ?
C62 Rh1 O2 91.4(3) . . ?
N1 Rh1 O2 85.6(2) . . ?
C62 Rh1 P1 89.7(2) . . ?
N1 Rh1 P1 93.31(17) . . ?
O2 Rh1 P1 174.67(19) . . ?
C62 Rh1 O3 91.8(3) . . ?
N1 Rh1 O3 87.9(3) . . ?
O2 Rh1 O3 81.2(2) . . ?
P1 Rh1 O3 103.99(16) . . ?
C62 Rh1 Rh2 96.7(3) . . ?
N1 Rh1 Rh2 83.0(2) . . ?
O2 Rh1 Rh2 86.62(18) . . ?
P1 Rh1 Rh2 88.07(7) . . ?
O3 Rh1 Rh2 165.29(16) . . ?
C11 P1 C21 106.4(4) . . ?
C11 P1 C31 103.2(4) . . ?
C21 P1 C31 104.0(4) . . ?
C11 P1 Rh1 111.9(2) . . ?
C21 P1 Rh1 111.4(3) . . ?
C31 P1 Rh1 118.8(3) . . ?
C5 N2 C8 108.1(8) . . ?
C5 N2 Rh2 131.5(7) . . ?
C8 N2 Rh2 120.0(5) . . ?
C4 O1 Rh2 116.9(6) . . ?
C8 O2 Rh1 119.6(6) . . ?
O1 C4 N1 123.7(8) . . ?
O1 C4 C3 122.9(10) . . ?
N1 C4 C3 113.2(9) . . ?
O5 C1 N1 124.0(10) . . ?
O5 C1 C2 126.1(9) . . ?
N1 C1 C2 109.9(9) . . ?
C2 C3 C4 103.3(9) . . ?
C3 C2 C1 104.8(8) . . ?
C7 C6 C5 104.0(8) . . ?
O2 C8 N2 122.8(7) . . ?
O2 C8 C7 125.0(10) . . ?
N2 C8 C7 112.2(9) . . ?
O6 C5 N2 123.4(9) . . ?
O6 C5 C6 124.5(9) . . ?
N2 C5 C6 112.1(10) . . ?
C12 C11 C16 121.5(8) . . ?
C12 C11 P1 117.5(6) . . ?
C16 C11 P1 121.0(6) . . ?
C16 C15 C14 120.3(8) . . ?
C15 C16 C11 120.4(8) . . ?
C14 C13 C12 120.4(8) . . ?
C15 C14 C13 120.0(9) . . ?
C11 C12 C13 117.3(7) . . ?
C11 C12 Rh2 122.5(6) . . ?
C13 C12 Rh2 119.5(6) . . ?
Cl4 C20 Cl3 113.7(10) . . ?
C25 C24 C23 122.6(12) . . ?
C24 C23 C22 117.9(13) . . ?
C21 C26 C25 119.9(12) . . ?
C24 C25 C26 119.2(14) . . ?
C21 C22 C23 120.3(11) . . ?
C22 C21 C26 120.1(9) . . ?
C22 C21 P1 117.1(7) . . ?
C26 C21 P1 122.6(8) . . ?
C32 C31 C36 120.8(9) . . ?
C32 C31 P1 118.0(7) . . ?
C36 C31 P1 121.2(7) . . ?
C31 C32 C33 119.5(10) . . ?
C35 C34 C33 118.0(10) . . ?
C34 C35 C36 122.8(10) . . ?
C34 C33 C32 121.0(10) . . ?
C31 C36 C35 117.9(9) . . ?
C43 C44 C45 121.6(10) . . ?
C44 C43 C42 120.2(11) . . ?
C41 C42 C43 119.2(10) . . ?
C46 C41 C42 119.1(8) . . ?
C46 C41 P2 119.9(7) . . ?
C42 C41 P2 120.9(8) . . ?
C44 C45 C46 116.2(11) . . ?
C41 C46 C45 123.4(10) . . ?
C53 C54 C55 124.7(11) . . ?
C56 C51 C52 116.8(8) . . ?
C56 C51 P2 124.2(7) . . ?
C52 C51 P2 119.0(7) . . ?
C54 C53 C52 117.9(10) . . ?
C51 C52 C53 120.7(10) . . ?
C54 C55 C56 115.7(11) . . ?
C51 C56 C55 123.9(9) . . ?
C65 C66 C61 121.5(9) . . ?
C66 C61 C62 120.2(9) . . ?
C66 C61 P2 123.3(7) . . ?
C62 C61 P2 116.5(7) . . ?
C63 C62 C61 117.0(8) . . ?
C63 C62 Rh1 120.4(7) . . ?
C61 C62 Rh1 122.4(7) . . ?
C64 C63 C62 120.4(9) . . ?
C65 C64 C63 121.5(10) . . ?
C64 C65 C66 119.1(9) . . ?
Cl1 C10 Cl2 112.6(8) . . ?
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
Rh2 C12 2.006(7) . ?
Rh2 O1 2.166(6) . ?
Rh2 N2 2.176(6) . ?
Rh2 P2 2.211(2) . ?
Rh2 O4 2.374(7) . ?
Rh2 Rh1 2.5386(10) . ?
P2 C61 1.802(9) . ?
P2 C41 1.822(8) . ?
P2 C51 1.826(9) . ?
N1 C4 1.346(11) . ?
N1 C1 1.391(11) . ?
N1 Rh1 2.156(7) . ?
O5 C1 1.205(11) . ?
C7 C6 1.488(15) . ?
C7 C8 1.491(11) . ?
Rh1 C62 2.003(9) . ?
Rh1 O2 2.167(5) . ?
Rh1 P1 2.2179(19) . ?
Rh1 O3 2.357(7) . ?
P1 C11 1.838(9) . ?
P1 C21 1.832(8) . ?
P1 C31 1.838(9) . ?
N2 C5 1.343(11) . ?
N2 C8 1.373(12) . ?
O1 C4 1.249(10) . ?
O2 C8 1.212(11) . ?
C4 C3 1.520(12) . ?
Cl3 C20 1.739(17) . ?
C1 C2 1.541(14) . ?
Cl4 C20 1.612(14) . ?
C3 C2 1.480(15) . ?
O6 C5 1.220(11) . ?
C6 C5 1.503(13) . ?
C11 C12 1.373(11) . ?
C11 C16 1.410(10) . ?
C15 C16 1.354(13) . ?
C15 C14 1.369(13) . ?
C13 C14 1.413(11) . ?
C13 C12 1.415(11) . ?
C24 C25 1.36(2) . ?
C24 C23 1.376(19) . ?
C23 C22 1.421(15) . ?
C26 C21 1.386(12) . ?
C26 C25 1.405(15) . ?
C22 C21 1.378(13) . ?
C31 C32 1.361(11) . ?
C31 C36 1.387(13) . ?
C32 C33 1.411(12) . ?
C34 C35 1.355(14) . ?
C34 C33 1.379(15) . ?
C35 C36 1.406(13) . ?
C44 C43 1.375(16) . ?
C44 C45 1.422(16) . ?
C43 C42 1.434(13) . ?
C42 C41 1.411(13) . ?
C41 C46 1.369(13) . ?
C45 C46 1.431(11) . ?
C54 C53 1.336(16) . ?
C54 C55 1.357(14) . ?
C51 C56 1.364(12) . ?
C51 C52 1.397(11) . ?
C53 C52 1.422(13) . ?
C55 C56 1.410(13) . ?
C66 C65 1.374(13) . ?
C66 C61 1.390(12) . ?
C61 C62 1.423(11) . ?
C62 C63 1.421(13) . ?
C63 C64 1.386(12) . ?
C64 C65 1.375(14) . ?
C10 Cl1 1.680(15) . ?
C10 Cl2 1.750(14) . ?
