#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:22:20 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178947 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/76/4117662.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_4117662
loop_
_publ_author_name
'Shou-Tian Zheng'
'Tao Wu'
'Chengtsung Chou'
'Addis Fuhr'
'Pingyun Feng'
'Xianhui Bu'
_publ_section_title
;
 Development of Composite Inorganic Building Blocks for MOFs
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4517
_journal_page_last               4520
_journal_paper_doi               10.1021/ja2118255
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C81 H60 In3 N O31 Pr2'
_chemical_formula_weight         2169.58
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.13440(10)
_cell_length_b                   27.13440(10)
_cell_length_c                   27.13440(10)
_cell_measurement_reflns_used    8176
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      49.683
_cell_measurement_theta_min      4.503
_cell_volume                     19978.40(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       'Omega scan'
_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  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21737
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6488
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    0.721
_exptl_crystal_description       block
_exptl_crystal_F_000             4264
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.579
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.095
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_coef       0.000010(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         9688
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      0.939
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0794P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                7369
_reflns_number_total             9688
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja2118255_si_002_4.cif
_cod_data_source_block           CPM-19-Pr
_cod_database_code               4117662
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+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
In1 In -0.070543(14) 0.526724(15) 1.006028(18) 0.05098(14) Uani 1 1 d .
Pr1 Pr 0.052399(12) 0.552399(12) 0.947601(12) 0.04737(16) Uani 1 3 d S
Pr2 Pr -0.090157(14) 0.409843(14) 1.090157(14) 0.0689(2) Uani 1 3 d S
O1 O -0.03863(14) 0.46137(14) 1.03863(14) 0.0449(17) Uani 1 3 d S
O2 O 0.00139(14) 0.55572(15) 1.02685(16) 0.0583(11) Uani 1 1 d .
O5 O -0.13740(17) 0.4965(2) 0.9778(2) 0.0977(19) Uani 1 1 d .
O6 O -0.1563(3) 0.4569(3) 1.0438(3) 0.158(3) Uiso 1 1 d .
O7 O -0.01515(19) 0.61104(18) 0.9369(2) 0.0922(18) Uani 1 1 d .
O8 O -0.0915(2) 0.5905(2) 0.9660(2) 0.1009(19) Uani 1 1 d .
C10 C -0.1605(4) 0.4657(4) 0.9987(4) 0.118(4) Uani 1 1 d .
C11 C -0.2102(4) 0.4528(5) 0.9799(4) 0.152(5) Uani 1 1 d .
C12 C -0.2382(7) 0.4216(7) 1.0104(8) 0.241(8) Uiso 1 1 d .
H12A H -0.2272 0.4057 1.0387 0.289 Uiso 1 1 calc R
C13 C -0.2917(6) 0.4184(5) 0.9882(6) 0.176(5) Uiso 1 1 d .
H13A H -0.3187 0.4129 1.0087 0.212 Uiso 1 1 calc R
C14 C -0.2987(4) 0.4242(5) 0.9357(5) 0.190(7) Uani 1 1 d .
C15 C -0.2683(3) 0.4532(4) 0.9112(4) 0.111(3) Uani 1 1 d .
H15A H -0.2762 0.4638 0.8796 0.133 Uiso 1 1 calc R
C16 C -0.2243(3) 0.4678(3) 0.9333(4) 0.125(4) Uani 1 1 d .
H16A H -0.2035 0.4887 0.9158 0.150 Uiso 1 1 calc R
C17 C -0.3450(3) 0.4068(4) 0.9107(4) 0.132(5) Uani 1 1 d .
C18 C -0.3633(4) 0.4290(5) 0.8719(4) 0.137(4) Uiso 1 1 d .
H18A H -0.3482 0.4577 0.8609 0.165 Uiso 1 1 calc R
C19 C -0.0598(3) 0.6179(3) 0.9387(3) 0.079(2) Uani 1 1 d .
C20 C -0.0818(3) 0.6649(3) 0.9200(4) 0.092(3) Uani 1 1 d .
C21 C -0.1298(5) 0.6757(4) 0.9251(4) 0.139(4) Uani 1 1 d .
H21A H -0.1503 0.6530 0.9407 0.166 Uiso 1 1 calc R
C22 C -0.1486(3) 0.7164(3) 0.9092(4) 0.128(4) Uani 1 1 d .
H22A H -0.1813 0.7244 0.9160 0.154 Uiso 1 1 calc R
C23 C -0.1183(3) 0.7490(3) 0.8809(4) 0.101(3) Uani 1 1 d .
C24 C -0.0709(3) 0.7388(3) 0.8771(4) 0.107(3) Uani 1 1 d .
H24A H -0.0493 0.7613 0.8627 0.128 Uiso 1 1 calc R
C25 C -0.0550(3) 0.6972(3) 0.8939(4) 0.136(5) Uani 1 1 d .
H25A H -0.0224 0.6889 0.8873 0.163 Uiso 1 1 calc R
C26 C -0.1391(4) 0.7987(4) 0.8601(4) 0.156(6) Uani 1 1 d .
C27 C -0.1810(4) 0.8196(4) 0.8792(4) 0.146(5) Uani 1 1 d .
H27A H -0.1960 0.8047 0.9061 0.176 Uiso 1 1 calc R
O1W O -0.1528(5) 0.3357(5) 1.0854(5) 0.246(5) Uiso 1 1 d .
O2W O 0.0473(3) 0.5799(3) 0.8581(3) 0.133(2) Uiso 1 1 d .
N1 N 0.0055(7) 0.6444(7) 1.0812(7) 0.075(5) Uiso 0.33 1 d P
C3 C -0.1481(4) 0.3700(3) 0.8763(5) 0.162(5) Uiso 1 1 d D
H3A H -0.1206 0.3865 0.8644 0.195 Uiso 1 1 calc R
O3 O -0.1237(4) 0.3861(3) 1.0084(4) 0.180 Uiso 1 1 d .
C1 C -0.1064(4) 0.3769(4) 0.9589(5) 0.134(4) Uiso 1 1 d D
C8 C -0.2566(5) 0.3167(6) 0.8225(6) 0.166(5) Uiso 1 1 d .
C9 C -0.2769(5) 0.3442(5) 0.7819(5) 0.166(5) Uiso 1 1 d .
H9A H -0.2644 0.3748 0.7728 0.199 Uiso 1 1 calc R
C2 C -0.1465(4) 0.3615(3) 0.9283(5) 0.214(7) Uiso 1 1 d D
C7 C -0.1851(5) 0.3368(4) 0.9540(6) 0.189(6) Uiso 1 1 d D
H7A H -0.1865 0.3300 0.9876 0.227 Uiso 1 1 calc R
C4 C -0.1838(4) 0.3582(4) 0.8386(5) 0.162(5) Uiso 1 1 d D
H4A H -0.1825 0.3649 0.8050 0.195 Uiso 1 1 calc R
C5 C -0.2212(5) 0.3338(4) 0.8657(6) 0.178(6) Uiso 1 1 d D
C6 C -0.2211(7) 0.3246(5) 0.9176(6) 0.284(10) Uiso 1 1 d D
H6A H -0.2488 0.3081 0.9294 0.341 Uiso 1 1 calc R
O4 O -0.0680(2) 0.3965(2) 0.9380(2) 0.0889(16) Uiso 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'
O O 0.0106 0.0060 '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'
Pr Pr -0.2180 2.8214 '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'
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
O8 In1 O4 85.7(2) . 11_466
O8 In1 O5 84.3(2) . .
O4 In1 O5 95.7(2) 11_466 .
O8 In1 O1 170.4(2) . .
O4 In1 O1 102.32(18) 11_466 .
O5 In1 O1 99.9(2) . .
O8 In1 O2 90.56(19) . 8_656
O4 In1 O2 169.45(18) 11_466 8_656
O5 In1 O2 93.7(2) . 8_656
O1 In1 O2 80.61(15) . 8_656
O8 In1 O2 94.5(2) . .
O4 In1 O2 90.54(18) 11_466 .
O5 In1 O2 173.5(2) . .
O1 In1 O2 80.29(16) . .
O2 In1 O2 79.9(2) 8_656 .
O8 In1 In1 131.24(17) . 8_656
O4 In1 In1 142.81(15) 11_466 8_656
O5 In1 In1 92.71(16) . 8_656
O1 In1 In1 40.49(9) . 8_656
O2 In1 In1 40.93(10) 8_656 8_656
O2 In1 In1 83.29(11) . 8_656
O8 In1 In1 135.11(16) . 11_466
O4 In1 In1 92.19(15) 11_466 11_466
O5 In1 In1 140.35(17) . 11_466
O1 In1 In1 40.49(10) . 11_466
O2 In1 In1 83.49(11) 8_656 11_466
O2 In1 In1 40.61(11) . 11_466
In1 In1 In1 60.0 8_656 11_466
O8 In1 Pr1 82.59(16) . .
O4 In1 Pr1 128.48(14) 11_466 .
O5 In1 Pr1 132.40(18) . .
O1 In1 Pr1 88.23(15) . .
O2 In1 Pr1 41.08(11) 8_656 .
O2 In1 Pr1 41.18(11) . .
In1 In1 Pr1 64.051(7) 8_656 .
In1 In1 Pr1 64.051(7) 11_466 .
O7 Pr1 O7 119.987(5) 8_656 11_466
O7 Pr1 O7 119.987(5) 8_656 .
O7 Pr1 O7 119.986(5) 11_466 .
O7 Pr1 O2W 69.8(2) 8_656 8_656
O7 Pr1 O2W 66.7(2) 11_466 8_656
O7 Pr1 O2W 135.8(2) . 8_656
O7 Pr1 O2W 66.7(2) 8_656 .
O7 Pr1 O2W 135.8(2) 11_466 .
O7 Pr1 O2W 69.8(2) . .
O2W Pr1 O2W 77.8(3) 8_656 .
O7 Pr1 O2W 135.8(2) 8_656 11_466
O7 Pr1 O2W 69.8(2) 11_466 11_466
O7 Pr1 O2W 66.7(2) . 11_466
O2W Pr1 O2W 77.8(3) 8_656 11_466
O2W Pr1 O2W 77.8(3) . 11_466
O7 Pr1 O2 70.82(17) 8_656 8_656
O7 Pr1 O2 129.63(15) 11_466 8_656
O7 Pr1 O2 73.61(15) . 8_656
O2W Pr1 O2 139.66(19) 8_656 8_656
O2W Pr1 O2 94.52(18) . 8_656
O2W Pr1 O2 139.86(19) 11_466 8_656
O7 Pr1 O2 73.61(15) 8_656 11_466
O7 Pr1 O2 70.82(17) 11_466 11_466
O7 Pr1 O2 129.63(15) . 11_466
O2W Pr1 O2 94.52(18) 8_656 11_466
O2W Pr1 O2 139.86(19) . 11_466
O2W Pr1 O2 139.66(19) 11_466 11_466
O2 Pr1 O2 66.05(15) 8_656 11_466
O7 Pr1 O2 129.63(15) 8_656 .
O7 Pr1 O2 73.61(15) 11_466 .
O7 Pr1 O2 70.82(17) . .
O2W Pr1 O2 139.86(19) 8_656 .
O2W Pr1 O2 139.66(19) . .
O2W Pr1 O2 94.52(18) 11_466 .
O2 Pr1 O2 66.05(15) 8_656 .
O2 Pr1 O2 66.05(15) 11_466 .
O7 Pr1 In1 60.36(12) 8_656 8_656
O7 Pr1 In1 103.96(14) 11_466 8_656
O7 Pr1 In1 106.47(12) . 8_656
O2W Pr1 In1 114.10(16) 8_656 8_656
O2W Pr1 In1 114.45(17) . 8_656
O2W Pr1 In1 163.87(16) 11_466 8_656
O2 Pr1 In1 34.10(8) 8_656 8_656
O2 Pr1 In1 33.77(10) 11_466 8_656
O2 Pr1 In1 69.35(9) . 8_656
O7 Pr1 In1 103.96(14) 8_656 .
O7 Pr1 In1 106.47(12) 11_466 .
O7 Pr1 In1 60.36(12) . .
O2W Pr1 In1 163.87(16) 8_656 .
O2W Pr1 In1 114.10(16) . .
O2W Pr1 In1 114.44(17) 11_466 .
O2 Pr1 In1 33.77(10) 8_656 .
O2 Pr1 In1 69.35(9) 11_466 .
O2 Pr1 In1 34.10(9) . .
In1 Pr1 In1 51.899(13) 8_656 .
O7 Pr1 In1 106.47(12) 8_656 11_466
O7 Pr1 In1 60.36(12) 11_466 11_466
O7 Pr1 In1 103.96(14) . 11_466
O2W Pr1 In1 114.45(17) 8_656 11_466
O2W Pr1 In1 163.87(16) . 11_466
O2W Pr1 In1 114.10(16) 11_466 11_466
O2 Pr1 In1 69.35(9) 8_656 11_466
O2 Pr1 In1 34.10(8) 11_466 11_466
O2 Pr1 In1 33.77(10) . 11_466
In1 Pr1 In1 51.899(13) 8_656 11_466
In1 Pr1 In1 51.899(13) . 11_466
O1 Pr2 O3 81.1(2) . 8_656
O1 Pr2 O3 81.1(2) . .
O3 Pr2 O3 117.65(12) 8_656 .
O1 Pr2 O3 81.1(2) . 11_466
O3 Pr2 O3 117.65(12) 8_656 11_466
O3 Pr2 O3 117.65(12) . 11_466
O1 Pr2 O6 80.3(2) . 8_656
O3 Pr2 O6 55.1(3) 8_656 8_656
O3 Pr2 O6 63.2(3) . 8_656
O3 Pr2 O6 160.9(3) 11_466 8_656
O1 Pr2 O6 80.3(2) . .
O3 Pr2 O6 160.9(3) 8_656 .
O3 Pr2 O6 55.1(3) . .
O3 Pr2 O6 63.2(3) 11_466 .
O6 Pr2 O6 117.22(12) 8_656 .
O1 Pr2 O6 80.3(2) . 11_466
O3 Pr2 O6 63.2(3) 8_656 11_466
O3 Pr2 O6 160.9(3) . 11_466
O3 Pr2 O6 55.1(3) 11_466 11_466
O6 Pr2 O6 117.22(12) 8_656 11_466
O6 Pr2 O6 117.22(12) . 11_466
O1 Pr2 O1W 141.7(3) . 8_656
O3 Pr2 O1W 61.5(4) 8_656 8_656
O3 Pr2 O1W 122.2(3) . 8_656
O3 Pr2 O1W 108.0(4) 11_466 8_656
O6 Pr2 O1W 84.5(3) 8_656 8_656
O6 Pr2 O1W 137.5(4) . 8_656
O6 Pr2 O1W 75.9(3) 11_466 8_656
O1 Pr2 O1W 141.7(3) . .
O3 Pr2 O1W 108.0(4) 8_656 .
O3 Pr2 O1W 61.5(4) . .
O3 Pr2 O1W 122.2(3) 11_466 .
O6 Pr2 O1W 75.9(3) 8_656 .
O6 Pr2 O1W 84.5(3) . .
O6 Pr2 O1W 137.5(4) 11_466 .
O1W Pr2 O1W 65.0(4) 8_656 .
O1 Pr2 O1W 141.7(3) . 11_466
O3 Pr2 O1W 122.2(3) 8_656 11_466
O3 Pr2 O1W 108.0(4) . 11_466
O3 Pr2 O1W 61.5(4) 11_466 11_466
O6 Pr2 O1W 137.5(4) 8_656 11_466
O6 Pr2 O1W 75.9(3) . 11_466
O6 Pr2 O1W 84.5(3) 11_466 11_466
O1W Pr2 O1W 65.0(4) 8_656 11_466
O1W Pr2 O1W 65.0(4) . 11_466
In1 O1 In1 99.02(19) 8_656 11_466
In1 O1 In1 99.02(19) 8_656 .
In1 O1 In1 99.02(19) 11_466 .
In1 O1 Pr2 118.58(15) 8_656 .
In1 O1 Pr2 118.58(15) 11_466 .
In1 O1 Pr2 118.58(15) . .
In1 O2 In1 98.45(16) 11_466 .
In1 O2 Pr1 105.14(16) 11_466 .
In1 O2 Pr1 104.71(16) . .
C10 O5 In1 123.1(6) . .
C10 O6 Pr2 130.2(9) . .
C19 O7 Pr1 146.6(5) . .
C19 O8 In1 123.7(5) . .
O5 C10 O6 123.5(9) . .
O5 C10 C11 118.7(8) . .
O6 C10 C11 112.0(10) . .
C16 C11 C12 124.4(11) . .
C16 C11 C10 119.8(8) . .
C12 C11 C10 115.5(12) . .
C11 C12 C13 107.8(15) . .
C11 C12 H12A 126.1 . .
C13 C12 H12A 126.1 . .
C14 C13 C12 119.5(14) . .
C14 C13 H13A 120.3 . .
C12 C13 H13A 120.3 . .
C15 C14 C13 118.6(11) . .
C15 C14 C17 118.8(9) . .
C13 C14 C17 121.3(11) . .
C14 C15 C16 119.3(9) . .
C14 C15 H15A 120.4 . .
C16 C15 H15A 120.4 . .
C11 C16 C15 123.1(9) . .
C11 C16 H16A 118.5 . .
C15 C16 H16A 118.5 . .
C18 C17 C18 116.8(11) . 7
C18 C17 C14 122.3(9) . .
C18 C17 C14 120.9(9) 7 .
C17 C18 C17 123.1(12) . 10_545
C17 C18 H18A 118.4 . .
C17 C18 H18A 118.4 10_545 .
O7 C19 O8 124.5(7) . .
O7 C19 C20 120.6(7) . .
O8 C19 C20 113.4(6) . .
C25 C20 C21 116.1(8) . .
C25 C20 C19 121.2(7) . .
C21 C20 C19 122.5(8) . .
C22 C21 C20 122.3(11) . .
C22 C21 H21A 118.8 . .
C20 C21 H21A 118.8 . .
C21 C22 C23 118.7(9) . .
C21 C22 H22A 120.6 . .
C23 C22 H22A 120.6 . .
C24 C23 C22 118.3(8) . .
C24 C23 C26 120.1(8) . .
C22 C23 C26 121.2(7) . .
C25 C24 C23 118.7(8) . .
C25 C24 H24A 120.7 . .
C23 C24 H24A 120.7 . .
C24 C25 C20 125.1(8) . .
C24 C25 H25A 117.4 . .
C20 C25 H25A 117.4 . .
C27 C26 C27 116.8(9) 5_465 .
C27 C26 C23 121.4(8) 5_465 .
C27 C26 C23 121.2(8) . .
C26 C27 C26 123.1(9) 9_456 .
C26 C27 H27A 118.5 9_456 .
C26 C27 H27A 118.5 . .
C2 C3 C4 133.2(13) . .
C2 C3 H3A 113.4 . .
C4 C3 H3A 113.4 . .
C1 O3 Pr2 139.2(8) . .
O4 C1 C2 118.3(11) . .
O4 C1 O3 126.6(10) . .
C2 C1 O3 110.0(10) . .
C9 C8 C9 122.1(17) 7 .
C9 C8 C5 102.2(15) 7 .
C9 C8 C5 130.2(16) . .
C8 C9 C8 116.7(17) 10_545 .
C8 C9 H9A 121.6 10_545 .
C8 C9 H9A 121.6 . .
C7 C2 C3 122.4(12) . .
C7 C2 C1 114.4(12) . .
C3 C2 C1 123.3(12) . .
C2 C7 C6 105.9(14) . .
C2 C7 H7A 127.0 . .
C6 C7 H7A 127.0 . .
C5 C4 C3 102.4(12) . .
C5 C4 H4A 128.8 . .
C3 C4 H4A 128.8 . .
C4 C5 C6 126.3(17) . .
C4 C5 C8 100.8(12) . .
C6 C5 C8 132.6(15) . .
C5 C6 C7 129.8(19) . .
C5 C6 H6A 115.1 . .
C7 C6 H6A 115.1 . .
C1 O4 In1 127.4(7) . 8_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
In1 O8 2.122(5) .
In1 O4 2.133(6) 11_466
In1 O5 2.133(5) .
In1 O1 2.163(3) .
In1 O2 2.165(4) 8_656
In1 O2 2.179(4) .
In1 In1 3.2894(7) 8_656
In1 In1 3.2894(7) 11_466
In1 Pr1 3.7587(6) .
Pr1 O7 2.445(5) 8_656
Pr1 O7 2.445(5) 11_466
Pr1 O7 2.445(5) .
Pr1 O2W 2.545(7) 8_656
Pr1 O2W 2.545(7) .
Pr1 O2W 2.545(7) 11_466
Pr1 O2 2.559(4) 8_656
Pr1 O2 2.559(4) 11_466
Pr1 O2 2.559(4) .
Pr1 In1 3.7587(6) 8_656
Pr1 In1 3.7587(6) 11_466
Pr2 O1 2.422(6) .
Pr2 O3 2.483(10) 8_656
Pr2 O3 2.483(10) .
Pr2 O3 2.483(10) 11_466
Pr2 O6 2.537(9) 8_656
Pr2 O6 2.537(9) .
Pr2 O6 2.537(9) 11_466
Pr2 O1W 2.637(13) 8_656
Pr2 O1W 2.637(13) .
Pr2 O1W 2.637(13) 11_466
O1 In1 2.163(3) 8_656
O1 In1 2.163(3) 11_466
O2 In1 2.165(4) 11_466
O5 C10 1.191(10) .
O6 C10 1.251(11) .
O7 C19 1.226(9) .
O8 C19 1.358(9) .
C10 C11 1.482(12) .
C11 C16 1.384(12) .
C11 C12 1.41(2) .
C12 C13 1.57(2) .
C12 H12A 0.9300 .
C13 C14 1.445(17) .
C13 H13A 0.9300 .
C14 C15 1.320(12) .
C14 C17 1.504(11) .
C15 C16 1.392(10) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.311(12) .
C17 C18 1.474(12) 7
C18 C17 1.474(12) 10_545
C18 H18A 0.9300 .
C19 C20 1.497(11) .
C20 C25 1.341(10) .
C20 C21 1.344(13) .
C21 C22 1.292(11) .
C21 H21A 0.9300 .
C22 C23 1.429(11) .
C22 H22A 0.9300 .
C23 C24 1.321(10) .
C23 C26 1.569(11) .
C24 C25 1.293(10) .
C24 H24A 0.9300 .
C25 H25A 0.9300 .
C26 C27 1.325(10) 5_465
C26 C27 1.372(11) .
C27 C26 1.325(10) 9_456
C27 H27A 0.9300 .
C3 C2 1.430(5) .
C3 C4 1.445(5) .
C3 H3A 0.9300 .
O3 C1 1.444(13) .
C1 O4 1.299(12) .
C1 C2 1.432(5) .
C8 C9 1.407(16) 7
C8 C9 1.441(16) .
C8 C5 1.586(19) .
C9 C8 1.407(16) 10_545
C9 H9A 0.9300 .
C2 C7 1.424(5) .
C7 C6 1.430(5) .
C7 H7A 0.9300 .
C4 C5 1.419(5) .
C4 H4A 0.9300 .
C5 C6 1.429(5) .
C6 H6A 0.9300 .
O4 In1 2.133(6) 8_656
