#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:08:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179095 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/57/4305768.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_4305768
loop_
_publ_author_name
'Chelladurai Ganesamoorthy'
'Maravanji S. Balakrishna'
'Joel T. Mague'
'Heikki M. Tuononen'
_publ_section_title
;
New Tetraphosphane Ligands {(X2P)2NC6H4N(PX2)2} (X = Cl, F, OMe,
OC6H4OMe-o): Synthesis, Derivatization, Group 10 and 11 Metal Complexes and
Catalytic Investigations. DFT Calculations on Intermolecular P...P
Interactions in Halo-Phosphines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7035
_journal_page_last               7047
_journal_paper_doi               10.1021/ic800724u
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C64 H62 Cl10 N2 O16 P4 Pt2'
_chemical_formula_weight         1983.72
_chemical_name_systematic
; 
  1,4-Bis[bis(bis(o-methoxyphenoxy)phosphino)amino
dichloroplatinum(II)]benzene Chloroform solvate 
;
_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                 98.047(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5897(8)
_cell_length_b                   18.440(1)
_cell_length_c                   19.093(1)
_cell_measurement_reflns_used    8561
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.21
_cell_volume                     3691.7(4)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            64668
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    4.299
_exptl_absorpt_correction_T_max  0.5481
_exptl_absorpt_correction_T_min  0.4787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1948
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.064
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         9168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0222
_refine_ls_R_factor_gt           0.0197
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0225P)²+3.0220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0464
_refine_ls_wR_factor_ref         0.0474
_reflns_number_gt                8493
_reflns_number_total             9168
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic800724u-file001_6.cif
_cod_data_source_block           msb252
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_cell_volume        3691.8(5)
_cod_database_code               4305768
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
Pt Pt 0.745502(7) 0.778613(4) 0.178364(4) 0.01070(3) Uani 1 1 d . . .
Cl1 Cl 0.67701(5) 0.69824(3) 0.26015(3) 0.01688(10) Uani 1 1 d . . .
Cl2 Cl 0.95777(5) 0.73973(3) 0.20894(3) 0.01838(10) Uani 1 1 d . . .
P1 P 0.56092(5) 0.82642(3) 0.13977(3) 0.01075(10) Uani 1 1 d . . .
P2 P 0.77037(5) 0.85936(3) 0.09812(3) 0.01102(10) Uani 1 1 d . . .
O1 O 0.45173(14) 0.77683(7) 0.09811(7) 0.0126(3) Uani 1 1 d . . .
O2 O 0.44967(15) 0.80956(9) -0.03712(7) 0.0177(3) Uani 1 1 d . . .
O3 O 0.47925(14) 0.87383(8) 0.18566(7) 0.0136(3) Uani 1 1 d . . .
O4 O 0.63220(14) 0.87425(8) 0.30924(8) 0.0180(3) Uani 1 1 d . . .
O5 O 0.86048(14) 0.92750(8) 0.11424(7) 0.0138(3) Uani 1 1 d . . .
O6 O 0.70920(15) 1.00418(9) 0.18913(8) 0.0189(3) Uani 1 1 d . . .
O7 O 0.79693(13) 0.83851(8) 0.02127(7) 0.0145(3) Uani 1 1 d . . .
O8 O 0.78998(15) 0.88651(9) -0.10713(8) 0.0229(3) Uani 1 1 d . . .
N N 0.61646(16) 0.88581(9) 0.08446(9) 0.0122(3) Uani 1 1 d . . .
C1 C 0.4924(2) 0.72353(11) 0.05262(11) 0.0138(4) Uani 1 1 d . . .
C2 C 0.5312(2) 0.65643(12) 0.07905(12) 0.0186(4) Uani 1 1 d . . .
H2 H 0.5285 0.6449 0.1273 0.022 Uiso 1 1 calc R . .
C3 C 0.5742(2) 0.60609(13) 0.03398(13) 0.0255(5) Uani 1 1 d . . .
H3 H 0.6012 0.5595 0.0512 0.031 Uiso 1 1 calc R . .
C4 C 0.5777(2) 0.62376(13) -0.03620(13) 0.0256(5) Uani 1 1 d . . .
H4 H 0.6092 0.5895 -0.0666 0.031 Uiso 1 1 calc R . .
C5 C 0.5358(2) 0.69085(13) -0.06265(12) 0.0210(5) Uani 1 1 d . . .
H5 H 0.5368 0.7018 -0.1112 0.025 Uiso 1 1 calc R . .
C6 C 0.4923(2) 0.74208(12) -0.01848(11) 0.0155(4) Uani 1 1 d . . .
C7 C 0.4716(2) 0.83574(14) -0.10519(11) 0.0240(5) Uani 1 1 d . . .
H7A H 0.5629 0.8331 -0.1088 0.036 Uiso 1 1 calc R . .
H7B H 0.4428 0.8862 -0.1109 0.036 Uiso 1 1 calc R . .
H7C H 0.4241 0.8058 -0.1423 0.036 Uiso 1 1 calc R . .
C8 C 0.4341(2) 0.84384(11) 0.24591(10) 0.0137(4) Uani 1 1 d . . .
C9 C 0.3128(2) 0.81611(12) 0.23945(12) 0.0181(4) Uani 1 1 d . . .
H9 H 0.2616 0.8136 0.1945 0.022 Uiso 1 1 calc R . .
C10 C 0.2658(2) 0.79166(13) 0.29981(13) 0.0218(5) Uani 1 1 d . . .
H10 H 0.1816 0.7730 0.2966 0.026 Uiso 1 1 calc R . .
C11 C 0.3427(2) 0.79476(13) 0.36452(12) 0.0211(5) Uani 1 1 d . . .
H11 H 0.3103 0.7785 0.4057 0.025 Uiso 1 1 calc R . .
C12 C 0.4663(2) 0.82113(12) 0.37035(11) 0.0185(4) Uani 1 1 d . . .
H12 H 0.5184 0.8220 0.4151 0.022 Uiso 1 1 calc R . .
C13 C 0.5139(2) 0.84639(11) 0.31045(11) 0.0143(4) Uani 1 1 d . . .
C14 C 0.7235(2) 0.86352(15) 0.37106(13) 0.0303(6) Uani 1 1 d . . .
H14A H 0.6991 0.8924 0.4101 0.045 Uiso 1 1 calc R . .
H14B H 0.8079 0.8788 0.3613 0.045 Uiso 1 1 calc R . .
H14C H 0.7259 0.8121 0.3840 0.045 Uiso 1 1 calc R . .
C15 C 0.9066(2) 0.94894(11) 0.18429(11) 0.0155(4) Uani 1 1 d . . .
C16 C 1.0292(2) 0.92993(12) 0.21164(12) 0.0197(4) Uani 1 1 d . . .
H16 H 1.0787 0.9002 0.1853 0.024 Uiso 1 1 calc R . .
C17 C 1.0795(2) 0.95493(13) 0.27848(13) 0.0239(5) Uani 1 1 d . . .
H17 H 1.1638 0.9422 0.2985 0.029 Uiso 1 1 calc R . .
C18 C 1.0058(2) 0.99838(12) 0.31549(12) 0.0233(5) Uani 1 1 d . . .
H18 H 1.0409 1.0164 0.3607 0.028 Uiso 1 1 calc R . .
C19 C 0.8815(2) 1.01622(12) 0.28799(12) 0.0201(4) Uani 1 1 d . . .
H19 H 0.8319 1.0457 0.3145 0.024 Uiso 1 1 calc R . .
C20 C 0.8296(2) 0.99090(11) 0.22148(11) 0.0159(4) Uani 1 1 d . . .
C21 C 0.6210(2) 1.03356(12) 0.23236(12) 0.0203(4) Uani 1 1 d . . .
H21A H 0.6250 1.0052 0.2760 0.030 Uiso 1 1 calc R . .
H21B H 0.5344 1.0315 0.2065 0.030 Uiso 1 1 calc R . .
H21C H 0.6436 1.0841 0.2441 0.030 Uiso 1 1 calc R . .
C22 C 0.9147(2) 0.84430(11) -0.00440(11) 0.0147(4) Uani 1 1 d . . .
C23 C 1.0271(2) 0.82153(12) 0.03421(12) 0.0191(4) Uani 1 1 d . . .
H23 H 1.0278 0.8016 0.0802 0.023 Uiso 1 1 calc R . .
C24 C 1.1399(2) 0.82814(14) 0.00483(13) 0.0237(5) Uani 1 1 d . . .
H24 H 1.2188 0.8135 0.0309 0.028 Uiso 1 1 calc R . .
C25 C 1.1360(2) 0.85619(14) -0.06258(13) 0.0258(5) Uani 1 1 d . . .
H25 H 1.2131 0.8615 -0.0822 0.031 Uiso 1 1 calc R . .
C26 C 1.0221(2) 0.87669(13) -0.10202(12) 0.0230(5) Uani 1 1 d . . .
H26 H 1.0212 0.8949 -0.1486 0.028 Uiso 1 1 calc R . .
C27 C 0.9087(2) 0.87064(12) -0.07344(11) 0.0178(4) Uani 1 1 d . . .
C28 C 0.7800(3) 0.90514(19) -0.18054(13) 0.0384(7) Uani 1 1 d . . .
H28A H 0.8238 0.9513 -0.1856 0.058 Uiso 1 1 calc R . .
H28B H 0.6899 0.9098 -0.2004 0.058 Uiso 1 1 calc R . .
H28C H 0.8196 0.8670 -0.2059 0.058 Uiso 1 1 calc R . .
C29 C 0.4273(2) 0.95684(11) 0.03821(11) 0.0149(4) Uani 1 1 d . . .
H29 H 0.3772 0.9273 0.0644 0.018 Uiso 1 1 calc R . .
C30 C 0.55709(19) 0.94374(11) 0.04171(10) 0.0123(4) Uani 1 1 d . . .
C31 C 0.6298(2) 0.98730(11) 0.00316(11) 0.0146(4) Uani 1 1 d . . .
H31 H 0.7187 0.9787 0.0052 0.018 Uiso 1 1 calc R . .
C32 C 0.0590(3) 0.60008(14) 0.10986(14) 0.0283(5) Uani 1 1 d . . .
H32 H 0.0447 0.6256 0.1543 0.034 Uiso 1 1 calc R . .
Cl3 Cl 0.19435(9) 0.63808(5) 0.08031(6) 0.0587(2) Uani 1 1 d . . .
Cl4 Cl 0.08442(8) 0.50789(4) 0.12965(5) 0.04555(19) Uani 1 1 d . . .
Cl5 Cl -0.07633(9) 0.61257(5) 0.04725(4) 0.0545(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'
Pt Pt -1.7033 8.3905 '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
P1 Pt P2 71.111(19) . . ?
P1 Pt Cl1 97.756(19) . . ?
P2 Pt Cl1 168.867(19) . . ?
P1 Pt Cl2 171.304(19) . . ?
P2 Pt Cl2 100.216(19) . . ?
Cl1 Pt Cl2 90.917(19) . . ?
O3 P1 O1 100.30(8) . . ?
O3 P1 N 104.76(8) . . ?
O1 P1 N 110.64(8) . . ?
O3 P1 Pt 124.90(6) . . ?
O1 P1 Pt 119.35(6) . . ?
N P1 Pt 95.73(6) . . ?
O3 P1 P2 127.84(6) . . ?
O1 P1 P2 125.88(6) . . ?
N P1 P2 41.31(6) . . ?
Pt P1 P2 54.484(17) . . ?
O7 P2 O5 101.13(8) . . ?
O7 P2 N 102.74(8) . . ?
O5 P2 N 110.13(8) . . ?
O7 P2 Pt 122.79(6) . . ?
O5 P2 Pt 122.35(6) . . ?
N P2 Pt 95.57(6) . . ?
O7 P2 P1 120.72(6) . . ?
O5 P2 P1 131.33(6) . . ?
N P2 P1 41.23(6) . . ?
Pt P2 P1 54.405(16) . . ?
C1 O1 P1 116.18(12) . . ?
C6 O2 C7 117.16(18) . . ?
C8 O3 P1 120.50(13) . . ?
C13 O4 C14 116.88(17) . . ?
C15 O5 P2 121.68(13) . . ?
C20 O6 C21 116.79(17) . . ?
C22 O7 P2 125.96(13) . . ?
C27 O8 C28 116.77(19) . . ?
C30 N P1 132.64(14) . . ?
C30 N P2 129.82(14) . . ?
P1 N P2 97.46(9) . . ?
C2 C1 C6 122.3(2) . . ?
C2 C1 O1 119.92(19) . . ?
C6 C1 O1 117.75(18) . . ?
C1 C2 C3 118.8(2) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 120.0(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.8(2) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 120.2(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
O2 C6 C5 126.36(19) . . ?
O2 C6 C1 115.73(19) . . ?
C5 C6 C1 117.9(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 C13 122.43(19) . . ?
C9 C8 O3 119.36(18) . . ?
C13 C8 O3 118.16(18) . . ?
C8 C9 C10 119.0(2) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C11 C10 C9 119.5(2) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 121.2(2) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C13 119.8(2) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
O4 C13 C12 125.56(19) . . ?
O4 C13 C8 116.41(18) . . ?
C12 C13 C8 118.0(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 122.6(2) . . ?
C16 C15 O5 118.08(19) . . ?
C20 C15 O5 119.27(18) . . ?
C15 C16 C17 119.0(2) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C18 C17 C16 119.4(2) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C17 C18 C19 121.2(2) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C18 C19 C20 119.9(2) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
O6 C20 C15 116.66(18) . . ?
O6 C20 C19 125.5(2) . . ?
C15 C20 C19 117.9(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 122.2(2) . . ?
C23 C22 O7 122.22(19) . . ?
C27 C22 O7 115.47(18) . . ?
C22 C23 C24 118.9(2) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C25 C24 C23 119.4(2) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C26 C25 C24 121.3(2) . . ?
C26 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
C25 C26 C27 120.0(2) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
O8 C27 C26 126.0(2) . . ?
O8 C27 C22 115.90(19) . . ?
C26 C27 C22 118.1(2) . . ?
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 120.47(19) 3_675 . ?
C31 C29 H29 119.8 3_675 . ?
C30 C29 H29 119.8 . . ?
C29 C30 C31 119.43(18) . . ?
C29 C30 N 120.60(18) . . ?
C31 C30 N 119.97(18) . . ?
C29 C31 C30 120.10(19) 3_675 . ?
C29 C31 H31 119.9 3_675 . ?
C30 C31 H31 119.9 . . ?
Cl5 C32 Cl4 111.20(15) . . ?
Cl5 C32 Cl3 110.81(14) . . ?
Cl4 C32 Cl3 110.36(15) . . ?
Cl5 C32 H32 108.1 . . ?
Cl4 C32 H32 108.1 . . ?
Cl3 C32 H32 108.1 . . ?
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
Pt P1 2.1766(5) . ?
Pt P2 2.1788(5) . ?
Pt Cl1 2.3407(5) . ?
Pt Cl2 2.3537(5) . ?
P1 O3 1.5787(15) . ?
P1 O1 1.5964(15) . ?
P1 N 1.6835(17) . ?
P1 P2 2.5326(7) . ?
P2 O7 1.5797(15) . ?
P2 O5 1.5817(15) . ?
P2 N 1.6861(18) . ?
O1 C1 1.418(2) . ?
O2 C6 1.354(3) . ?
O2 C7 1.436(2) . ?
O3 C8 1.418(2) . ?
O4 C13 1.357(3) . ?
O4 C14 1.431(3) . ?
O5 C15 1.415(2) . ?
O6 C20 1.359(3) . ?
O6 C21 1.436(3) . ?
O7 C22 1.406(2) . ?
O8 C27 1.362(3) . ?
O8 C28 1.432(3) . ?
N C30 1.435(2) . ?
C1 C2 1.377(3) . ?
C1 C6 1.400(3) . ?
C2 C3 1.385(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(3) . ?
C5 H5 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.372(3) . ?
C8 C13 1.394(3) . ?
C9 C10 1.393(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.383(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.393(3) . ?
C12 H12 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.374(3) . ?
C15 C20 1.389(3) . ?
C16 C17 1.391(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.392(3) . ?
C19 H19 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.375(3) . ?
C22 C27 1.398(3) . ?
C23 C24 1.395(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.382(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.382(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.391(3) . ?
C26 H26 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.384(3) 3_675 ?
C29 C30 1.388(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.392(3) . ?
C31 C29 1.384(3) 3_675 ?
C31 H31 0.9500 . ?
C32 Cl5 1.748(3) . ?
C32 Cl4 1.754(3) . ?
C32 Cl3 1.758(3) . ?
C32 H32 1.0000 . ?
