#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314502.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_4314502
loop_
_publ_author_name
'Jean-Charles Buffet'
'Jun Okuda'
'Polly L. Arnold'
_publ_contact_author_address
;
School of Chemistry
Joseph Black Building, University of Edinburgh,
West Mains Road, Edinburgh, EH9 3JJ, UK.
;
_publ_contact_author_email       Polly.Arnold@ed.ac.uk
_publ_contact_author_fax         '+44 131 650 6453'
_publ_contact_author_name        'Polly L Arnold'
_publ_contact_author_phone       '+44 131 650 5429'
_publ_section_title
;
 Chiral Indium Alkoxide Complexes as Initiators for the Stereoselective
 Ring-Opening Polymerization of rac-Lactide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              419
_journal_page_last               426
_journal_paper_doi               10.1021/ic900740n
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C42 H90 In O6 P3'
_chemical_formula_sum            'C42 H90 In O6 P3'
_chemical_formula_weight         898.87
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 105.1100(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.2795(5)
_cell_length_b                   12.5166(3)
_cell_length_c                   21.7618(5)
_cell_measurement_reflns_used    14888
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      1.9
_cell_volume                     5069.9(2)
_computing_cell_refinement       'SAINT (Siemans, 1995)'
_computing_data_collection       'SMART (Siemans, 1993)'
_computing_data_reduction        'SAINT (Siemans, 1995)'
_computing_molecular_graphics    'ORTEP (Farrugia, 1997)'
_computing_publication_material  'enCIFer (Allen et al., 2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Giacovazzo, 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       '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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0373
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            76637
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.52
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_meas      1.18
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.115
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         14888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0318P)²+5.9104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1057
_reflns_number_gt                13246
_reflns_number_total             14888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900740n_si_001_4.cif
_cod_data_source_block           po8076_1_InL3'wrong
_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_database_code               4314502
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C11 C 0.43150(14) 0.1579(2) 0.38425(12) 0.0299(5) Uani 1 1 d . . .
C13 C 0.48660(19) 0.1578(3) 0.44867(15) 0.0543(9) Uani 1 1 d . A .
H13A H 0.5347 0.1682 0.4426 0.082 Uiso 1 1 calc R . .
H13B H 0.4847 0.0892 0.4699 0.082 Uiso 1 1 calc R . .
H13C H 0.4758 0.2158 0.4750 0.082 Uiso 1 1 calc R . .
C12 C 0.35650(17) 0.1649(3) 0.39523(16) 0.0487(8) Uani 1 1 d . A .
H12A H 0.3519 0.2321 0.4169 0.073 Uiso 1 1 calc R . .
H12B H 0.3492 0.1047 0.4216 0.073 Uiso 1 1 calc R . .
H12C H 0.3203 0.1624 0.3542 0.073 Uiso 1 1 calc R . .
C14 C 0.4342(9) 0.2613(14) 0.3421(10) 0.044(3) Uani 0.54(3) 1 d P A 1
H14A H 0.4805 0.2642 0.3315 0.065 Uiso 0.54(3) 1 calc PR A 1
H14B H 0.4283 0.3255 0.3660 0.065 Uiso 0.54(3) 1 calc PR A 1
H14C H 0.3953 0.2578 0.3028 0.065 Uiso 0.54(3) 1 calc PR A 1
C141 C 0.4515(16) 0.2482(18) 0.3522(13) 0.066(6) Uani 0.46(3) 1 d P A 2
H14D H 0.4415 0.3141 0.3726 0.099 Uiso 0.46(3) 1 calc PR A 2
H14E H 0.4238 0.2478 0.3075 0.099 Uiso 0.46(3) 1 calc PR A 2
H14F H 0.5029 0.2443 0.3545 0.099 Uiso 0.46(3) 1 calc PR A 2
C7 C 0.52450(14) 0.0037(2) 0.32727(13) 0.0323(6) Uani 1 1 d . . .
C9 C 0.58242(15) -0.0140(3) 0.39003(15) 0.0401(7) Uani 1 1 d . A .
H9A H 0.6240 -0.0500 0.3812 0.060 Uiso 1 1 calc R . .
H9B H 0.5628 -0.0585 0.4186 0.060 Uiso 1 1 calc R . .
H9C H 0.5974 0.0551 0.4103 0.060 Uiso 1 1 calc R . .
C10 C 0.54994(17) 0.0900(3) 0.28849(17) 0.0523(9) Uani 1 1 d . A .
H10A H 0.5632 0.1543 0.3146 0.078 Uiso 1 1 calc R . .
H10B H 0.5112 0.1071 0.2507 0.078 Uiso 1 1 calc R . .
H10C H 0.5918 0.0639 0.2753 0.078 Uiso 1 1 calc R . .
C8 C 0.51453(17) -0.1024(3) 0.28998(14) 0.0444(7) Uani 1 1 d . A .
H8A H 0.4763 -0.0942 0.2505 0.067 Uiso 1 1 calc R . .
H8B H 0.5014 -0.1590 0.3160 0.067 Uiso 1 1 calc R . .
H8C H 0.5595 -0.1215 0.2797 0.067 Uiso 1 1 calc R . .
C1 C 0.40865(14) -0.0755(2) 0.37928(12) 0.0286(5) Uani 1 1 d . . .
H1A H 0.4499 -0.1250 0.3928 0.034 Uiso 1 1 calc R A .
H1B H 0.3964 -0.0489 0.4180 0.034 Uiso 1 1 calc R . .
C2 C 0.34348(13) -0.13661(19) 0.33720(11) 0.0232(4) Uani 1 1 d . A .
H2 H 0.3557 -0.1588 0.2972 0.028 Uiso 1 1 calc R . .
C3 C 0.32567(14) -0.2388(2) 0.37082(12) 0.0288(5) Uani 1 1 d . . .
C4 C 0.38980(17) -0.3160(2) 0.38548(15) 0.0418(7) Uani 1 1 d . A .
H4A H 0.3750 -0.3848 0.3994 0.063 Uiso 1 1 calc R . .
H4B H 0.4288 -0.2859 0.4193 0.063 Uiso 1 1 calc R . .
H4C H 0.4066 -0.3264 0.3471 0.063 Uiso 1 1 calc R . .
C5 C 0.30499(17) -0.2107(2) 0.43194(14) 0.0403(7) Uani 1 1 d . A .
H5A H 0.2660 -0.1582 0.4225 0.060 Uiso 1 1 calc R . .
H5B H 0.3467 -0.1806 0.4629 0.060 Uiso 1 1 calc R . .
H5C H 0.2890 -0.2754 0.4497 0.060 Uiso 1 1 calc R . .
C6 C 0.26217(16) -0.2930(2) 0.32464(15) 0.0391(6) Uani 1 1 d . A .
H6A H 0.2492 -0.3580 0.3442 0.059 Uiso 1 1 calc R . .
H6B H 0.2754 -0.3117 0.2855 0.059 Uiso 1 1 calc R . .
H6C H 0.2211 -0.2441 0.3145 0.059 Uiso 1 1 calc R . .
C21 C 0.00538(15) 0.0457(2) 0.18608(17) 0.0419(7) Uani 1 1 d . . .
C22 C 0.0174(2) 0.0736(4) 0.1212(2) 0.0701(12) Uani 1 1 d . . .
H22A H 0.0547 0.0269 0.1127 0.105 Uiso 1 1 calc R . .
H22B H 0.0328 0.1483 0.1213 0.105 Uiso 1 1 calc R . .
H22C H -0.0274 0.0634 0.0880 0.105 Uiso 1 1 calc R . .
C23 C -0.01702(17) -0.0724(3) 0.18385(18) 0.0487(8) Uani 1 1 d . . .
H23A H -0.0319 -0.0901 0.2224 0.073 Uiso 1 1 calc R . .
H23B H 0.0237 -0.1175 0.1814 0.073 Uiso 1 1 calc R . .
H23C H -0.0572 -0.0848 0.1463 0.073 Uiso 1 1 calc R . .
C24 C -0.05538(17) 0.1153(3) 0.1978(2) 0.0656(12) Uani 1 1 d . . .
H24A H -0.0959 0.1151 0.1597 0.098 Uiso 1 1 calc R . .
H24B H -0.0380 0.1886 0.2072 0.098 Uiso 1 1 calc R . .
H24C H -0.0710 0.0867 0.2339 0.098 Uiso 1 1 calc R . .
C25 C 0.09471(16) 0.0333(2) 0.32716(16) 0.0385(6) Uani 1 1 d . . .
C28 C 0.16871(17) 0.0652(3) 0.36973(15) 0.0474(8) Uani 1 1 d . . .
H28A H 0.1763 0.1419 0.3652 0.071 Uiso 1 1 calc R . .
H28B H 0.2063 0.0250 0.3569 0.071 Uiso 1 1 calc R . .
H28C H 0.1707 0.0490 0.4142 0.071 Uiso 1 1 calc R . .
C26 C 0.0861(2) -0.0872(3) 0.33505(18) 0.0541(9) Uani 1 1 d . . .
H26A H 0.1225 -0.1254 0.3194 0.081 Uiso 1 1 calc R . .
H26B H 0.0381 -0.1094 0.3106 0.081 Uiso 1 1 calc R . .
H26C H 0.0922 -0.1038 0.3802 0.081 Uiso 1 1 calc R . .
C27 C 0.0365(2) 0.0944(3) 0.3496(2) 0.0616(11) Uani 1 1 d . . .
H27A H 0.0431 0.0825 0.3953 0.092 Uiso 1 1 calc R . .
H27B H -0.0111 0.0688 0.3262 0.092 Uiso 1 1 calc R . .
H27C H 0.0404 0.1710 0.3416 0.092 Uiso 1 1 calc R . .
C15 C 0.11634(15) 0.2045(2) 0.24131(17) 0.0399(7) Uani 1 1 d . . .
H15A H 0.0758 0.2425 0.2122 0.048 Uiso 1 1 calc R . .
H15B H 0.1236 0.2357 0.2843 0.048 Uiso 1 1 calc R . .
C16 C 0.18534(13) 0.22047(18) 0.21829(12) 0.0250(5) Uani 1 1 d . A .
H16 H 0.1768 0.1897 0.1745 0.030 Uiso 1 1 calc R . .
C17 C 0.20399(14) 0.34089(19) 0.21518(14) 0.0300(5) Uani 1 1 d . . .
C18 C 0.27325(15) 0.3488(2) 0.19372(16) 0.0376(6) Uani 1 1 d . . .
H18A H 0.2663 0.3142 0.1522 0.056 Uiso 1 1 calc R . .
H18B H 0.3123 0.3132 0.2249 0.056 Uiso 1 1 calc R . .
H18C H 0.2855 0.4242 0.1903 0.056 Uiso 1 1 calc R . .
C19 C 0.21690(19) 0.3936(2) 0.28020(17) 0.0482(8) Uani 1 1 d . . .
H19A H 0.2350 0.4663 0.2781 0.072 Uiso 1 1 calc R . .
H19B H 0.2523 0.3520 0.3116 0.072 Uiso 1 1 calc R . .
H19C H 0.1717 0.3964 0.2928 0.072 Uiso 1 1 calc R . .
C20 C 0.14391(17) 0.3979(3) 0.16656(19) 0.0520(9) Uani 1 1 d . . .
H20A H 0.0999 0.3969 0.1812 0.078 Uiso 1 1 calc R . .
H20B H 0.1352 0.3614 0.1254 0.078 Uiso 1 1 calc R . .
H20C H 0.1580 0.4721 0.1619 0.078 Uiso 1 1 calc R . .
C38 C 0.21666(18) 0.1150(3) 0.00997(13) 0.0454(7) Uani 1 1 d . . .
C37 C 0.2307(3) 0.2350(4) 0.0122(2) 0.0930(17) Uani 1 1 d . . .
H37A H 0.2781 0.2488 0.0052 0.139 Uiso 1 1 calc R . .
H37B H 0.2293 0.2629 0.0539 0.139 Uiso 1 1 calc R . .
H37C H 0.1937 0.2704 -0.0211 0.139 Uiso 1 1 calc R . .
C35 C 0.2198(2) 0.0752(5) -0.05558(15) 0.0760(14) Uani 1 1 d . . .
H35A H 0.2092 -0.0015 -0.0591 0.114 Uiso 1 1 calc R . .
H35B H 0.2680 0.0878 -0.0612 0.114 Uiso 1 1 calc R . .
H35C H 0.1843 0.1137 -0.0886 0.114 Uiso 1 1 calc R . .
C36 C 0.14165(19) 0.0932(4) 0.01845(17) 0.0700(13) Uani 1 1 d . . .
H36A H 0.1057 0.1290 -0.0155 0.105 Uiso 1 1 calc R . .
H36B H 0.1386 0.1205 0.0599 0.105 Uiso 1 1 calc R . .
H36C H 0.1326 0.0161 0.0164 0.105 Uiso 1 1 calc R . .
C39 C 0.37501(15) 0.0656(2) 0.07807(14) 0.0349(6) Uani 1 1 d . . .
C420 C 0.4009(6) 0.1705(11) 0.1113(11) 0.053(4) Uani 0.54(3) 1 d P A 1
H42A H 0.4532 0.1756 0.1190 0.080 Uiso 0.54(3) 1 calc PR A 1
H42B H 0.3880 0.1735 0.1520 0.080 Uiso 0.54(3) 1 calc PR A 1
H42C H 0.3781 0.2302 0.0843 0.080 Uiso 0.54(3) 1 calc PR A 1
C421 C 0.3910(7) 0.1893(10) 0.0790(12) 0.054(3) Uani 0.46(3) 1 d P A 2
H42D H 0.3747 0.2232 0.1133 0.080 Uiso 0.46(3) 1 calc PR A 2
H42E H 0.3654 0.2208 0.0381 0.080 Uiso 0.46(3) 1 calc PR A 2
H42F H 0.4427 0.2008 0.0860 0.080 Uiso 0.46(3) 1 calc PR A 2
C41 C 0.4183(2) -0.0081(4) 0.12943(18) 0.0750(15) Uani 1 1 d . A .
H41A H 0.4696 0.0060 0.1357 0.113 Uiso 1 1 calc R . .
H41B H 0.4080 -0.0826 0.1163 0.113 Uiso 1 1 calc R . .
H41C H 0.4051 0.0047 0.1694 0.113 Uiso 1 1 calc R . .
C40 C 0.3922(2) 0.0371(4) 0.01586(16) 0.0558(9) Uani 1 1 d . A .
H40A H 0.3677 0.0871 -0.0174 0.084 Uiso 1 1 calc R . .
H40B H 0.3759 -0.0358 0.0035 0.084 Uiso 1 1 calc R . .
H40C H 0.4442 0.0417 0.0213 0.084 Uiso 1 1 calc R . .
C29 C 0.25955(17) -0.0930(2) 0.06901(13) 0.0362(6) Uani 1 1 d . . .
H29A H 0.2285 -0.1071 0.0258 0.043 Uiso 1 1 calc R A .
H29B H 0.3047 -0.1338 0.0740 0.043 Uiso 1 1 calc R . .
C30 C 0.22100(14) -0.13086(19) 0.11938(11) 0.0266(5) Uani 1 1 d . A .
H30 H 0.1792 -0.0823 0.1173 0.032 Uiso 1 1 calc R . .
C31 C 0.19202(15) -0.2465(2) 0.10678(14) 0.0342(6) Uani 1 1 d . . .
C34 C 0.14838(16) -0.2698(2) 0.15415(16) 0.0399(7) Uani 1 1 d . A .
H34A H 0.1314 -0.3439 0.1491 0.060 Uiso 1 1 calc R . .
H34B H 0.1071 -0.2214 0.1464 0.060 Uiso 1 1 calc R . .
H34C H 0.1785 -0.2592 0.1975 0.060 Uiso 1 1 calc R . .
C32 C 0.25416(19) -0.3257(2) 0.11641(19) 0.0514(9) Uani 1 1 d . A .
H32A H 0.2860 -0.3171 0.1593 0.077 Uiso 1 1 calc R . .
H32B H 0.2812 -0.3121 0.0848 0.077 Uiso 1 1 calc R . .
H32C H 0.2352 -0.3987 0.1113 0.077 Uiso 1 1 calc R . .
C33 C 0.1427(2) -0.2575(3) 0.03926(17) 0.0571(10) Uani 1 1 d . A .
H33A H 0.1712 -0.2498 0.0082 0.086 Uiso 1 1 calc R . .
H33B H 0.1058 -0.2017 0.0320 0.086 Uiso 1 1 calc R . .
H33C H 0.1197 -0.3279 0.0344 0.086 Uiso 1 1 calc R . .
O1 O 0.38478(9) 0.04977(13) 0.27042(7) 0.0230(3) Uani 1 1 d . . .
O2 O 0.28509(9) -0.06820(13) 0.32109(8) 0.0246(3) Uani 1 1 d . . .
O3 O 0.14548(9) -0.00816(13) 0.22123(10) 0.0302(4) Uani 1 1 d . . .
O4 O 0.24216(9) 0.16544(13) 0.25844(8) 0.0240(3) Uani 1 1 d . . .
O5 O 0.26781(9) 0.09330(13) 0.13830(8) 0.0258(3) Uani 1 1 d . . .
O6 O 0.26812(9) -0.12167(13) 0.18005(8) 0.0263(3) Uani 1 1 d . . .
P1 P 0.43388(3) 0.03630(5) 0.33648(3) 0.02163(12) Uani 1 1 d . A .
P2 P 0.09409(4) 0.06383(5) 0.24374(4) 0.03122(15) Uani 1 1 d . A .
P3 P 0.27972(4) 0.04796(5) 0.07764(3) 0.02546(13) Uani 1 1 d . A .
In1 In 0.265481(8) 0.012450(12) 0.234350(7) 0.01839(5) Uani 1 1 d . A .
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'
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'
In In -0.7276 1.3100 '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
C141 C11 C13 103.8(12) . . ?
C141 C11 C12 114.6(11) . . ?
C13 C11 C12 108.5(3) . . ?
C141 C11 C14 13.3(14) . . ?
C13 C11 C14 114.3(7) . . ?
C12 C11 C14 102.6(7) . . ?
C141 C11 P1 109.0(10) . . ?
C13 C11 P1 113.7(2) . . ?
C12 C11 P1 107.32(18) . . ?
C14 C11 P1 109.6(8) . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
C11 C141 H14D 109.5 . . ?
C11 C141 H14E 109.5 . . ?
H14D C141 H14E 109.5 . . ?
C11 C141 H14F 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
C10 C7 C9 109.2(2) . . ?
C10 C7 C8 109.4(3) . . ?
C9 C7 C8 107.8(2) . . ?
C10 C7 P1 110.5(2) . . ?
C9 C7 P1 115.0(2) . . ?
C8 C7 P1 104.76(19) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C2 C1 P1 111.19(16) . . ?
C2 C1 H1A 109.4 . . ?
P1 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
P1 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
O2 C2 C1 108.95(19) . . ?
O2 C2 C3 111.29(19) . . ?
C1 C2 C3 111.84(19) . . ?
O2 C2 H2 108.2 . . ?
C1 C2 H2 108.2 . . ?
C3 C2 H2 108.2 . . ?
C6 C3 C5 109.2(2) . . ?
C6 C3 C4 108.8(2) . . ?
C5 C3 C4 110.1(2) . . ?
C6 C3 C2 107.0(2) . . ?
C5 C3 C2 111.1(2) . . ?
C4 C3 C2 110.5(2) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C22 C21 C23 107.4(3) . . ?
C22 C21 C24 109.3(3) . . ?
C23 C21 C24 109.3(2) . . ?
C22 C21 P2 105.2(2) . . ?
C23 C21 P2 110.0(2) . . ?
C24 C21 P2 115.3(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C27 110.2(3) . . ?
C26 C25 C28 107.4(3) . . ?
C27 C25 C28 108.6(3) . . ?
C26 C25 P2 109.9(2) . . ?
C27 C25 P2 112.9(2) . . ?
C28 C25 P2 107.7(2) . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C16 C15 P2 111.31(17) . . ?
C16 C15 H15A 109.4 . . ?
P2 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
P2 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
O4 C16 C15 109.5(2) . . ?
O4 C16 C17 110.7(2) . . ?
C15 C16 C17 111.50(19) . . ?
O4 C16 H16 108.3 . . ?
C15 C16 H16 108.3 . . ?
C17 C16 H16 108.3 . . ?
C19 C17 C20 110.6(3) . . ?
C19 C17 C18 108.2(2) . . ?
C20 C17 C18 108.9(2) . . ?
C19 C17 C16 111.3(2) . . ?
C20 C17 C16 109.9(2) . . ?
C18 C17 C16 107.8(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C37 C38 C35 107.6(3) . . ?
C37 C38 C36 109.7(4) . . ?
C35 C38 C36 108.9(3) . . ?
C37 C38 P3 110.3(3) . . ?
C35 C38 P3 114.7(3) . . ?
C36 C38 P3 105.6(2) . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C38 C35 H35A 109.5 . . ?
C38 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C38 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C36 H36A 109.5 . . ?
C38 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C38 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C40 C39 C420 120.4(8) . . ?
C40 C39 C41 107.9(3) . . ?
C420 C39 C41 97.2(9) . . ?
C40 C39 C421 98.9(8) . . ?
C420 C39 C421 26.8(4) . . ?
C41 C39 C421 121.3(9) . . ?
C40 C39 P3 114.6(2) . . ?
C420 C39 P3 108.0(4) . . ?
C41 C39 P3 106.6(2) . . ?
C421 C39 P3 107.9(5) . . ?
C39 C420 H42A 109.5 . . ?
C39 C420 H42B 109.5 . . ?
C39 C420 H42C 109.5 . . ?
C39 C421 H42D 109.5 . . ?
C39 C421 H42E 109.5 . . ?
H42D C421 H42E 109.5 . . ?
C39 C421 H42F 109.5 . . ?
H42D C421 H42F 109.5 . . ?
H42E C421 H42F 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C30 C29 P3 110.80(17) . . ?
C30 C29 H29A 109.5 . . ?
P3 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
P3 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
O6 C30 C31 111.1(2) . . ?
O6 C30 C29 109.2(2) . . ?
C31 C30 C29 112.2(2) . . ?
O6 C30 H30 108.1 . . ?
C31 C30 H30 108.1 . . ?
C29 C30 H30 108.1 . . ?
C34 C31 C32 109.6(3) . . ?
C34 C31 C33 108.6(3) . . ?
C32 C31 C33 110.0(3) . . ?
C34 C31 C30 107.3(2) . . ?
C32 C31 C30 110.4(2) . . ?
C33 C31 C30 110.9(2) . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
P1 O1 In1 129.14(9) . . ?
C2 O2 In1 118.15(13) . . ?
P2 O3 In1 128.59(10) . . ?
C16 O4 In1 119.14(14) . . ?
P3 O5 In1 131.58(10) . . ?
C30 O6 In1 120.08(14) . . ?
O1 P1 C1 112.88(11) . . ?
O1 P1 C11 109.98(11) . . ?
C1 P1 C11 107.26(12) . . ?
O1 P1 C7 107.21(11) . . ?
C1 P1 C7 105.74(12) . . ?
C11 P1 C7 113.81(13) . . ?
O3 P2 C15 112.87(11) . . ?
O3 P2 C21 105.95(13) . . ?
C15 P2 C21 106.41(14) . . ?
O3 P2 C25 110.92(12) . . ?
C15 P2 C25 106.71(15) . . ?
C21 P2 C25 114.04(14) . . ?
O5 P3 C29 112.39(11) . . ?
O5 P3 C39 109.18(11) . . ?
C29 P3 C39 107.71(14) . . ?
O5 P3 C38 107.93(13) . . ?
C29 P3 C38 106.34(15) . . ?
C39 P3 C38 113.34(14) . . ?
O6 In1 O4 160.06(7) . . ?
O6 In1 O2 95.68(7) . . ?
O4 In1 O2 102.65(7) . . ?
O6 In1 O3 90.69(7) . . ?
O4 In1 O3 81.68(6) . . ?
O2 In1 O3 89.84(7) . . ?
O6 In1 O1 101.01(6) . . ?
O4 In1 O1 89.39(6) . . ?
O2 In1 O1 81.89(6) . . ?
O3 In1 O1 166.24(6) . . ?
O6 In1 O5 80.24(6) . . ?
O4 In1 O5 83.20(6) . . ?
O2 In1 O5 168.26(6) . . ?
O3 In1 O5 101.16(7) . . ?
O1 In1 O5 88.06(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
C11 C141 1.43(2) . ?
C11 C13 1.522(4) . ?
C11 C12 1.528(4) . ?
C11 C14 1.595(16) . ?
C11 P1 1.851(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C7 C10 1.528(4) . ?
C7 C9 1.538(4) . ?
C7 C8 1.542(4) . ?
C7 P1 1.855(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C1 C2 1.550(3) . ?
C1 P1 1.816(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 O2 1.385(3) . ?
C2 C3 1.556(3) . ?
C2 H2 1.0000 . ?
C3 C6 1.525(4) . ?
C3 C5 1.526(4) . ?
C3 C4 1.535(4) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C21 C22 1.530(5) . ?
C21 C23 1.537(4) . ?
C21 C24 1.534(4) . ?
C21 P2 1.853(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.531(4) . ?
C25 C27 1.539(4) . ?
C25 C28 1.538(4) . ?
C25 P2 1.852(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C15 C16 1.552(3) . ?
C15 P2 1.816(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 O4 1.393(3) . ?
C16 C17 1.555(3) . ?
C16 H16 1.0000 . ?
C17 C19 1.522(4) . ?
C17 C20 1.527(4) . ?
C17 C18 1.529(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C38 C37 1.524(6) . ?
C38 C35 1.527(5) . ?
C38 C36 1.529(5) . ?
C38 P3 1.849(3) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C39 C40 1.518(4) . ?
C39 C420 1.519(9) . ?
C39 C41 1.520(5) . ?
C39 C421 1.577(12) . ?
C39 P3 1.848(3) . ?
C420 H42A 0.9800 . ?
C420 H42B 0.9800 . ?
C420 H42C 0.9800 . ?
C421 H42D 0.9800 . ?
C421 H42E 0.9800 . ?
C421 H42F 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C29 C30 1.550(4) . ?
C29 P3 1.806(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 O6 1.399(3) . ?
C30 C31 1.550(3) . ?
C30 H30 1.0000 . ?
C31 C34 1.519(4) . ?
C31 C32 1.527(4) . ?
C31 C33 1.534(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
O1 P1 1.5106(17) . ?
O1 In1 2.2768(16) . ?
O2 In1 2.0864(16) . ?
O3 P2 1.5120(18) . ?
O3 In1 2.2707(17) . ?
O4 In1 2.0656(16) . ?
O5 P3 1.5084(17) . ?
O5 In1 2.3333(16) . ?
O6 In1 2.0611(16) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C1 C2 O2 -61.9(2) . . . . ?
P1 C1 C2 C3 174.62(17) . . . . ?
O2 C2 C3 C6 59.0(3) . . . . ?
C1 C2 C3 C6 -178.8(2) . . . . ?
O2 C2 C3 C5 -60.2(3) . . . . ?
C1 C2 C3 C5 62.0(3) . . . . ?
O2 C2 C3 C4 177.4(2) . . . . ?
C1 C2 C3 C4 -60.5(3) . . . . ?
P2 C15 C16 O4 -57.9(3) . . . . ?
P2 C15 C16 C17 179.2(2) . . . . ?
O4 C16 C17 C19 -62.0(3) . . . . ?
C15 C16 C17 C19 60.2(3) . . . . ?
O4 C16 C17 C20 175.0(2) . . . . ?
C15 C16 C17 C20 -62.8(3) . . . . ?
O4 C16 C17 C18 56.5(3) . . . . ?
C15 C16 C17 C18 178.7(2) . . . . ?
P3 C29 C30 O6 -65.6(3) . . . . ?
P3 C29 C30 C31 170.8(2) . . . . ?
O6 C30 C31 C34 63.8(3) . . . . ?
C29 C30 C31 C34 -173.6(2) . . . . ?
O6 C30 C31 C32 -55.6(3) . . . . ?
C29 C30 C31 C32 67.0(3) . . . . ?
O6 C30 C31 C33 -177.8(2) . . . . ?
C29 C30 C31 C33 -55.2(3) . . . . ?
C1 C2 O2 In1 94.85(19) . . . . ?
C3 C2 O2 In1 -141.37(16) . . . . ?
C15 C16 O4 In1 94.3(2) . . . . ?
C17 C16 O4 In1 -142.39(16) . . . . ?
C31 C30 O6 In1 -140.18(17) . . . . ?
C29 C30 O6 In1 95.6(2) . . . . ?
In1 O1 P1 C1 31.63(17) . . . . ?
In1 O1 P1 C11 -88.12(15) . . . . ?
In1 O1 P1 C7 147.67(13) . . . . ?
C2 C1 P1 O1 2.5(2) . . . . ?
C2 C1 P1 C11 123.81(18) . . . . ?
C2 C1 P1 C7 -114.40(19) . . . . ?
C141 C11 P1 O1 -57.2(13) . . . . ?
C13 C11 P1 O1 -172.4(2) . . . . ?
C12 C11 P1 O1 67.5(2) . . . . ?
C14 C11 P1 O1 -43.1(6) . . . . ?
C141 C11 P1 C1 179.7(13) . . . . ?
C13 C11 P1 C1 64.5(3) . . . . ?
C12 C11 P1 C1 -55.6(2) . . . . ?
C14 C11 P1 C1 -166.2(6) . . . . ?
C141 C11 P1 C7 63.1(13) . . . . ?
C13 C11 P1 C7 -52.1(3) . . . . ?
C12 C11 P1 C7 -172.2(2) . . . . ?
C14 C11 P1 C7 77.2(6) . . . . ?
C10 C7 P1 O1 56.3(2) . . . . ?
C9 C7 P1 O1 -179.6(2) . . . . ?
C8 C7 P1 O1 -61.5(2) . . . . ?
C10 C7 P1 C1 177.0(2) . . . . ?
C9 C7 P1 C1 -58.9(2) . . . . ?
C8 C7 P1 C1 59.2(2) . . . . ?
C10 C7 P1 C11 -65.6(2) . . . . ?
C9 C7 P1 C11 58.6(2) . . . . ?
C8 C7 P1 C11 176.70(18) . . . . ?
In1 O3 P2 C15 35.1(2) . . . . ?
In1 O3 P2 C21 151.13(15) . . . . ?
In1 O3 P2 C25 -84.62(16) . . . . ?
C16 C15 P2 O3 -1.7(3) . . . . ?
C16 C15 P2 C21 -117.5(2) . . . . ?
C16 C15 P2 C25 120.4(2) . . . . ?
C22 C21 P2 O3 -57.0(3) . . . . ?
C23 C21 P2 O3 58.3(3) . . . . ?
C24 C21 P2 O3 -177.5(2) . . . . ?
C22 C21 P2 C15 63.3(3) . . . . ?
C23 C21 P2 C15 178.7(2) . . . . ?
C24 C21 P2 C15 -57.1(3) . . . . ?
C22 C21 P2 C25 -179.3(2) . . . . ?
C23 C21 P2 C25 -64.0(3) . . . . ?
C24 C21 P2 C25 60.2(3) . . . . ?
C26 C25 P2 O3 -49.3(2) . . . . ?
C27 C25 P2 O3 -172.8(2) . . . . ?
C28 C25 P2 O3 67.4(2) . . . . ?
C26 C25 P2 C15 -172.6(2) . . . . ?
C27 C25 P2 C15 63.9(3) . . . . ?
C28 C25 P2 C15 -55.9(2) . . . . ?
C26 C25 P2 C21 70.2(3) . . . . ?
C27 C25 P2 C21 -53.2(3) . . . . ?
C28 C25 P2 C21 -173.1(2) . . . . ?
In1 O5 P3 C29 22.90(19) . . . . ?
In1 O5 P3 C39 -96.55(16) . . . . ?
In1 O5 P3 C38 139.84(16) . . . . ?
C30 C29 P3 O5 10.7(2) . . . . ?
C30 C29 P3 C39 131.0(2) . . . . ?
C30 C29 P3 C38 -107.2(2) . . . . ?
C40 C39 P3 O5 -172.1(2) . . . . ?
C420 C39 P3 O5 -34.9(10) . . . . ?
C41 C39 P3 O5 68.7(3) . . . . ?
C421 C39 P3 O5 -63.0(10) . . . . ?
C40 C39 P3 C29 65.6(3) . . . . ?
C420 C39 P3 C29 -157.2(10) . . . . ?
C41 C39 P3 C29 -53.6(3) . . . . ?
C421 C39 P3 C29 174.7(10) . . . . ?
C40 C39 P3 C38 -51.7(3) . . . . ?
C420 C39 P3 C38 85.4(10) . . . . ?
C41 C39 P3 C38 -171.0(3) . . . . ?
C421 C39 P3 C38 57.3(10) . . . . ?
C37 C38 P3 O5 60.5(3) . . . . ?
C35 C38 P3 O5 -177.9(3) . . . . ?
C36 C38 P3 O5 -58.0(3) . . . . ?
C37 C38 P3 C29 -178.7(3) . . . . ?
C35 C38 P3 C29 -57.1(3) . . . . ?
C36 C38 P3 C29 62.8(3) . . . . ?
C37 C38 P3 C39 -60.6(3) . . . . ?
C35 C38 P3 C39 61.1(3) . . . . ?
C36 C38 P3 C39 -179.0(3) . . . . ?
C30 O6 In1 O4 -14.2(3) . . . . ?
C30 O6 In1 O2 142.66(17) . . . . ?
C30 O6 In1 O3 52.75(17) . . . . ?
C30 O6 In1 O1 -134.53(16) . . . . ?
C30 O6 In1 O5 -48.45(16) . . . . ?
C16 O4 In1 O6 18.9(3) . . . . ?
C16 O4 In1 O2 -137.45(15) . . . . ?
C16 O4 In1 O3 -49.50(15) . . . . ?
C16 O4 In1 O1 141.01(15) . . . . ?
C16 O4 In1 O5 52.89(15) . . . . ?
C2 O2 In1 O6 51.59(16) . . . . ?
C2 O2 In1 O4 -136.31(15) . . . . ?
C2 O2 In1 O3 142.26(16) . . . . ?
C2 O2 In1 O1 -48.77(16) . . . . ?
C2 O2 In1 O5 -17.4(4) . . . . ?
P2 O3 In1 O6 -176.04(15) . . . . ?
P2 O3 In1 O4 -14.53(14) . . . . ?
P2 O3 In1 O2 88.28(15) . . . . ?
P2 O3 In1 O1 35.5(3) . . . . ?
P2 O3 In1 O5 -95.85(15) . . . . ?
P1 O1 In1 O6 -107.67(13) . . . . ?
P1 O1 In1 O4 89.44(13) . . . . ?
P1 O1 In1 O2 -13.43(12) . . . . ?
P1 O1 In1 O3 40.1(3) . . . . ?
P1 O1 In1 O5 172.66(13) . . . . ?
P3 O5 In1 O6 -9.17(13) . . . . ?
P3 O5 In1 O4 -178.03(14) . . . . ?
P3 O5 In1 O2 61.3(4) . . . . ?
P3 O5 In1 O3 -97.94(14) . . . . ?
P3 O5 In1 O1 92.35(14) . . . . ?
