#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:19:21 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179685 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/07/7000745.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_7000745
loop_
_publ_author_name
'Ganesamoorthy, Chelladurai'
'Balakrishna, Maravanji S.'
'Mague, Joel T.'
_publ_section_title
;
 Di-, tetra- and polynuclear RhI complexes containing
 phenylene-1,4-diaminotetra(phosphonite), p-C6H4[N{P(OC6H4OMe-o)2}2]2
 and their catalytic investigation towards transfer hydrogenation
 reactions
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              1984
_journal_page_last               1990
_journal_paper_doi               10.1039/b815849e
_journal_year                    2009
_chemical_formula_moiety         'C66 H66 Cl2 N4 O16 P4 Rh2'
_chemical_formula_sum            'C66 H66 Cl2 N4 O16 P4 Rh2'
_chemical_formula_weight         1571.83
_chemical_name_systematic
;
Dichlorobis(acetonitrile)(μ-1,4-Bis[bis(bis(o-
methoxyphenoxy)phosphino)amino]benzene-1κ²P,P';
2κ²P",P"')dirhodium(I)
;
_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                84.207(1)
_cell_angle_beta                 77.819(1)
_cell_angle_gamma                88.350(1)
_cell_formula_units_Z            1
_cell_length_a                   9.2409(5)
_cell_length_b                   11.0859(6)
_cell_length_c                   17.0064(9)
_cell_measurement_reflns_used    7047
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.62
_cell_measurement_theta_min      2.25
_cell_volume                     1694.23(16)
_computing_cell_refinement       'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_data_collection       'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2006a)'
_computing_molecular_graphics    'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_publication_material  'Bruker APEX2 (Bruker-AXS, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.931
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0350
_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       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15149
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  0.9527
_exptl_absorpt_correction_T_min  0.9194
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, (Sheldrick, 2004)'
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             802
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.685
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         7829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0323
_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)+(0.0339P)²+1.4007P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                6968
_reflns_number_total             7829
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b815849e.txt
_cod_data_source_block           msb329_0m
_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_original_sg_symbol_H-M      P-1
_cod_database_code               7000745
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
Rh Rh 0.870930(19) 0.379324(16) 0.202677(10) 0.01593(6) Uani 1 1 d . . .
Cl Cl 0.83828(6) 0.20041(5) 0.14060(3) 0.02283(12) Uani 1 1 d . . .
P1 P 0.92129(6) 0.30334(5) 0.31652(3) 0.01420(11) Uani 1 1 d . . .
P2 P 0.89876(6) 0.52338(5) 0.27295(3) 0.01554(12) Uani 1 1 d . . .
O1 O 0.80625(17) 0.24193(13) 0.39325(9) 0.0157(3) Uani 1 1 d . . .
O2 O 0.8379(2) 0.12212(15) 0.53046(10) 0.0265(4) Uani 1 1 d . . .
O3 O 1.05857(17) 0.21347(14) 0.32473(10) 0.0181(3) Uani 1 1 d . . .
O4 O 1.31103(18) 0.30130(16) 0.34311(11) 0.0253(4) Uani 1 1 d . . .
O5 O 0.76587(17) 0.60121(15) 0.32099(9) 0.0204(3) Uani 1 1 d . . .
O6 O 0.50091(18) 0.60086(15) 0.40958(10) 0.0218(3) Uani 1 1 d . . .
O7 O 1.01769(18) 0.63151(14) 0.24611(10) 0.0206(3) Uani 1 1 d . . .
O8 O 1.0280(2) 0.7669(2) 0.10866(15) 0.0582(8) Uani 1 1 d . . .
N1 N 0.9494(2) 0.43758(16) 0.35091(11) 0.0143(4) Uani 1 1 d . . .
N2 N 0.8386(2) 0.48613(19) 0.09921(12) 0.0222(4) Uani 1 1 d . . .
C1 C 0.7712(2) 0.11778(19) 0.40517(14) 0.0189(5) Uani 1 1 d . . .
C2 C 0.7214(3) 0.0617(2) 0.34783(16) 0.0267(5) Uani 1 1 d . . .
H2 H 0.7164 0.1045 0.2972 0.032 Uiso 1 1 calc R . .
C3 C 0.6780(4) -0.0594(3) 0.36498(19) 0.0400(7) Uani 1 1 d . . .
H3 H 0.6422 -0.0995 0.3262 0.048 Uiso 1 1 calc R . .
C4 C 0.6873(4) -0.1204(3) 0.43817(19) 0.0443(8) Uani 1 1 d . . .
H4 H 0.6577 -0.2027 0.4495 0.053 Uiso 1 1 calc R . .
C5 C 0.7390(3) -0.0640(2) 0.49570(17) 0.0345(6) Uani 1 1 d . . .
H5 H 0.7450 -0.1076 0.5460 0.041 Uiso 1 1 calc R . .
C6 C 0.7822(3) 0.0570(2) 0.47979(15) 0.0234(5) Uani 1 1 d . . .
C7 C 0.8571(3) 0.0594(3) 0.60562(16) 0.0343(6) Uani 1 1 d . . .
H7A H 0.7604 0.0338 0.6383 0.051 Uiso 1 1 calc R . .
H7B H 0.9035 0.1136 0.6350 0.051 Uiso 1 1 calc R . .
H7C H 0.9205 -0.0120 0.5950 0.051 Uiso 1 1 calc R . .
C8 C 1.1842(2) 0.2000(2) 0.26391(14) 0.0192(5) Uani 1 1 d . . .
C9 C 1.1778(3) 0.1375(2) 0.19880(15) 0.0249(5) Uani 1 1 d . . .
H9 H 1.0857 0.1091 0.1918 0.030 Uiso 1 1 calc R . .
C10 C 1.3076(3) 0.1164(3) 0.14342(16) 0.0316(6) Uani 1 1 d . . .
H10 H 1.3044 0.0734 0.0982 0.038 Uiso 1 1 calc R . .
C11 C 1.4410(3) 0.1575(3) 0.15384(16) 0.0310(6) Uani 1 1 d . . .
H11 H 1.5293 0.1427 0.1158 0.037 Uiso 1 1 calc R . .
C12 C 1.4471(3) 0.2206(2) 0.21968(17) 0.0280(6) Uani 1 1 d . . .
H12 H 1.5395 0.2490 0.2263 0.034 Uiso 1 1 calc R . .
C13 C 1.3185(3) 0.2425(2) 0.27597(15) 0.0214(5) Uani 1 1 d . . .
C14 C 1.4489(3) 0.3281(3) 0.3633(2) 0.0364(7) Uani 1 1 d . . .
H14A H 1.5054 0.2528 0.3696 0.055 Uiso 1 1 calc R . .
H14B H 1.4297 0.3663 0.4140 0.055 Uiso 1 1 calc R . .
H14C H 1.5060 0.3834 0.3200 0.055 Uiso 1 1 calc R . .
C15 C 0.6581(2) 0.6641(2) 0.28638(14) 0.0185(4) Uani 1 1 d . . .
C16 C 0.6890(3) 0.7282(2) 0.21112(15) 0.0235(5) Uani 1 1 d . . .
H16 H 0.7860 0.7267 0.1785 0.028 Uiso 1 1 calc R . .
C17 C 0.5769(3) 0.7953(2) 0.18330(16) 0.0285(6) Uani 1 1 d . . .
H17 H 0.5973 0.8401 0.1316 0.034 Uiso 1 1 calc R . .
C18 C 0.4368(3) 0.7965(2) 0.23067(17) 0.0303(6) Uani 1 1 d . . .
H18 H 0.3606 0.8425 0.2116 0.036 Uiso 1 1 calc R . .
C19 C 0.4053(3) 0.7304(2) 0.30708(16) 0.0263(5) Uani 1 1 d . . .
H19 H 0.3079 0.7308 0.3393 0.032 Uiso 1 1 calc R . .
C20 C 0.5166(3) 0.6646(2) 0.33521(14) 0.0192(5) Uani 1 1 d . . .
C21 C 0.3550(3) 0.5992(3) 0.46012(16) 0.0299(6) Uani 1 1 d . . .
H21A H 0.3236 0.6822 0.4708 0.045 Uiso 1 1 calc R . .
H21B H 0.3562 0.5504 0.5113 0.045 Uiso 1 1 calc R . .
H21C H 0.2856 0.5638 0.4327 0.045 Uiso 1 1 calc R . .
C22 C 1.1428(3) 0.6197(2) 0.18442(14) 0.0205(5) Uani 1 1 d . . .
C23 C 1.2576(3) 0.5422(2) 0.19488(16) 0.0256(5) Uani 1 1 d . . .
H23 H 1.2514 0.4913 0.2439 0.031 Uiso 1 1 calc R . .
C24 C 1.3832(3) 0.5388(3) 0.13304(18) 0.0323(6) Uani 1 1 d . . .
H24 H 1.4634 0.4858 0.1395 0.039 Uiso 1 1 calc R . .
C25 C 1.3897(3) 0.6139(3) 0.06175(17) 0.0349(6) Uani 1 1 d . . .
H25 H 1.4749 0.6117 0.0194 0.042 Uiso 1 1 calc R . .
C26 C 1.2741(3) 0.6916(3) 0.05167(17) 0.0359(7) Uani 1 1 d . . .
H26 H 1.2800 0.7425 0.0027 0.043 Uiso 1 1 calc R . .
C27 C 1.1493(3) 0.6951(3) 0.11315(16) 0.0286(6) Uani 1 1 d . . .
C28 C 1.0480(4) 0.8824(3) 0.0682(2) 0.0484(8) Uani 1 1 d . . .
H28A H 1.1306 0.9216 0.0833 0.073 Uiso 1 1 calc R . .
H28B H 0.9576 0.9306 0.0831 0.073 Uiso 1 1 calc R . .
H28C H 1.0701 0.8766 0.0098 0.073 Uiso 1 1 calc R . .
C29 C 1.0190(2) 0.3806(2) 0.48089(14) 0.0168(4) Uani 1 1 d . . .
H29 H 1.0325 0.2991 0.4680 0.020 Uiso 1 1 calc R . .
C30 C 0.9760(2) 0.46922(19) 0.42614(13) 0.0150(4) Uani 1 1 d . . .
C31 C 0.9578(2) 0.5886(2) 0.44569(13) 0.0168(4) Uani 1 1 d . . .
H31 H 0.9293 0.6495 0.4084 0.020 Uiso 1 1 calc R . .
C32 C 0.8307(3) 0.5543(2) 0.04558(14) 0.0216(5) Uani 1 1 d . . .
C33 C 0.8218(3) 0.6436(2) -0.02218(16) 0.0288(6) Uani 1 1 d . . .
H33A H 0.7369 0.6976 -0.0069 0.043 Uiso 1 1 calc R . .
H33B H 0.8097 0.6020 -0.0685 0.043 Uiso 1 1 calc R . .
H33C H 0.9129 0.6912 -0.0367 0.043 Uiso 1 1 calc R . .
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
N2 Rh P2 97.77(6) . . ?
N2 Rh P1 168.02(6) . . ?
P2 Rh P1 70.68(2) . . ?
N2 Rh Cl 89.88(6) . . ?
P2 Rh Cl 172.23(2) . . ?
P1 Rh Cl 101.76(2) . . ?
O1 P1 O3 96.78(8) . . ?
O1 P1 N1 100.16(9) . . ?
O3 P1 N1 109.16(9) . . ?
O1 P1 Rh 126.55(6) . . ?
O3 P1 Rh 124.55(6) . . ?
N1 P1 Rh 96.51(6) . . ?
O1 P1 P2 119.94(6) . . ?
O3 P1 P2 134.18(6) . . ?
N1 P1 P2 42.58(6) . . ?
Rh P1 P2 54.143(19) . . ?
O5 P2 O7 97.47(9) . . ?
O5 P2 N1 100.45(9) . . ?
O7 P2 N1 106.56(9) . . ?
O5 P2 Rh 124.74(7) . . ?
O7 P2 Rh 126.04(7) . . ?
N1 P2 Rh 97.76(7) . . ?
O5 P2 P1 119.26(7) . . ?
O7 P2 P1 133.09(7) . . ?
N1 P2 P1 42.79(6) . . ?
Rh P2 P1 55.181(19) . . ?
C1 O1 P1 124.05(14) . . ?
C6 O2 C7 117.0(2) . . ?
C8 O3 P1 125.17(14) . . ?
C13 O4 C14 116.8(2) . . ?
C15 O5 P2 124.87(15) . . ?
C20 O6 C21 116.39(19) . . ?
C22 O7 P2 120.67(14) . . ?
C27 O8 C28 119.0(2) . . ?
C30 N1 P2 131.18(15) . . ?
C30 N1 P1 133.07(15) . . ?
P2 N1 P1 94.64(9) . . ?
C32 N2 Rh 171.9(2) . . ?
C2 C1 C6 122.0(2) . . ?
C2 C1 O1 121.3(2) . . ?
C6 C1 O1 116.6(2) . . ?
C1 C2 C3 119.0(2) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 119.7(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 121.2(3) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
O2 C6 C5 125.7(2) . . ?
O2 C6 C1 116.2(2) . . ?
C5 C6 C1 118.2(2) . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 O3 120.9(2) . . ?
C9 C8 C13 121.6(2) . . ?
O3 C8 C13 117.2(2) . . ?
C8 C9 C10 119.2(2) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.4(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C13 120.3(2) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
O4 C13 C12 125.6(2) . . ?
O4 C13 C8 116.2(2) . . ?
C12 C13 C8 118.2(2) . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 121.3(2) . . ?
C16 C15 O5 123.1(2) . . ?
C20 C15 O5 115.5(2) . . ?
C15 C16 C17 119.4(2) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C18 C17 C16 119.9(2) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 120.5(2) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 119.7(2) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
O6 C20 C19 125.1(2) . . ?
O6 C20 C15 115.8(2) . . ?
C19 C20 C15 119.1(2) . . ?
O6 C21 H21A 109.5 . . ?
O6 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O6 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C27 121.3(2) . . ?
C23 C22 O7 121.9(2) . . ?
C27 C22 O7 116.8(2) . . ?
C22 C23 C24 119.5(2) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C25 C24 C23 119.2(3) . . ?
C25 C24 H24 120.4 . . ?
C23 C24 H24 120.4 . . ?
C26 C25 C24 120.9(2) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C25 C26 C27 119.9(3) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
O8 C27 C26 124.4(2) . . ?
O8 C27 C22 116.4(2) . . ?
C26 C27 C22 119.2(3) . . ?
O8 C28 H28A 109.5 . . ?
O8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
O8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 C30 120.0(2) 2_766 . ?
C31 C29 H29 120.0 2_766 . ?
C30 C29 H29 120.0 . . ?
C29 C30 C31 119.3(2) . . ?
C29 C30 N1 120.2(2) . . ?
C31 C30 N1 120.44(19) . . ?
C29 C31 C30 120.7(2) 2_766 . ?
C29 C31 H31 119.7 2_766 . ?
C30 C31 H31 119.7 . . ?
N2 C32 C33 178.7(3) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
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
Rh N2 2.090(2) . ?
Rh P2 2.1410(6) . ?
Rh P1 2.1686(6) . ?
Rh Cl 2.3939(6) . ?
P1 O1 1.6041(16) . ?
P1 O3 1.6110(16) . ?
P1 N1 1.6988(19) . ?
P1 P2 2.4928(8) . ?
P2 O5 1.6055(17) . ?
P2 O7 1.6146(17) . ?
P2 N1 1.6920(18) . ?
O1 C1 1.408(3) . ?
O2 C6 1.365(3) . ?
O2 C7 1.435(3) . ?
O3 C8 1.398(3) . ?
O4 C13 1.360(3) . ?
O4 C14 1.434(3) . ?
O5 C15 1.396(3) . ?
O6 C20 1.366(3) . ?
O6 C21 1.438(3) . ?
O7 C22 1.400(3) . ?
O8 C27 1.368(3) . ?
O8 C28 1.389(4) . ?
N1 C30 1.431(3) . ?
N2 C32 1.138(3) . ?
C1 C2 1.370(3) . ?
C1 C6 1.397(3) . ?
C2 C3 1.397(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.373(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(3) . ?
C5 H5 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.377(3) . ?
C8 C13 1.402(3) . ?
C9 C10 1.390(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(3) . ?
C12 H12 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.378(3) . ?
C15 C20 1.393(3) . ?
C16 C17 1.394(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.373(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.404(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(3) . ?
C19 H19 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.376(3) . ?
C22 C27 1.392(3) . ?
C23 C24 1.395(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.381(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(4) . ?
C26 H26 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.387(3) 2_766 ?
C29 C30 1.392(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.394(3) . ?
C31 C29 1.387(3) 2_766 ?
C31 H31 0.9500 . ?
C32 C33 1.456(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
