#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:53:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180522 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/91/7219139.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_7219139
loop_
_publ_author_name
'Monge, Angeles'
'Gutierrez-Puebla, Enrique'
'Iglesias, Marta'
'Snejko, Natalia'
'Aguirre, Lina Maria'
_publ_section_title
;
 Advances in understanding the structure-catalyst activity relationship of
 green Indium MOFs catalysts in the solvent-free ketones cyanosilylation
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA13924K
_journal_year                    2014
_chemical_formula_moiety         'C75 H40 F18 In2 N4 O12, 2(H2 O)'
_chemical_formula_sum            'C75 H44 F18 In2 N4 O14'
_chemical_formula_weight         1796.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-09-11 deposited with the CCDC.
2014-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 129.9560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.0893(4)
_cell_length_b                   12.9108(2)
_cell_length_c                   22.2089(3)
_cell_measurement_reflns_used    5054
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      63.79
_cell_measurement_theta_min      5.49
_cell_volume                     7272.8(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13466
_diffrn_reflns_theta_full        63.68
_diffrn_reflns_theta_max         63.68
_diffrn_reflns_theta_min         5.49
_exptl_absorpt_coefficient_mu    6.088
_exptl_absorpt_correction_T_max  0.3757
_exptl_absorpt_correction_T_min  0.1945
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3576
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         5766
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0575P)²+5.0563P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0953
_reflns_number_gt                4739
_reflns_number_total             5766
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra13924k2.cif
_cod_data_source_block           InPF-12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 
;
_cod_original_cell_volume        7272.79(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7219139
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C1 C 0.15062(12) 0.9230(3) 0.08553(18) 0.0549(8) Uani 1 1 d . . .
C2 C 0.10649(11) 0.8742(3) 0.07852(18) 0.0535(8) Uani 1 1 d . . .
C3 C 0.08784(14) 0.9207(3) 0.1125(2) 0.0639(9) Uani 1 1 d . . .
H3 H 0.1008 0.9853 0.1362 0.077 Uiso 1 1 calc R . .
C4 C 0.08614(14) 0.7795(3) 0.0427(2) 0.0631(9) Uani 1 1 d . . .
H4 H 0.0982 0.7472 0.0193 0.076 Uiso 1 1 calc R . .
C5 C 0.04815(13) 0.7319(3) 0.0409(2) 0.0604(9) Uani 1 1 d . . .
H5 H 0.0342 0.6688 0.0152 0.072 Uiso 1 1 calc R . .
C6 C 0.05010(13) 0.8726(3) 0.1120(2) 0.0623(9) Uani 1 1 d . . .
H6 H 0.0380 0.9049 0.1352 0.075 Uiso 1 1 calc R . .
C7 C 0.03032(11) 0.7763(3) 0.07680(17) 0.0496(8) Uani 1 1 d . . .
C8 C -0.00801(11) 0.7136(3) 0.07982(18) 0.0508(8) Uani 1 1 d . . .
C9 C -0.02999(16) 0.7778(4) 0.1121(2) 0.0730(11) Uani 1 1 d . . .
C10 C 0.02443(14) 0.6232(4) 0.1379(2) 0.0700(11) Uani 1 1 d . . .
C11 C 0.30556(13) 0.9135(3) 0.2667(2) 0.0630(10) Uani 1 1 d . . .
C12 C -0.14685(12) 0.6192(3) -0.15225(19) 0.0553(8) Uani 1 1 d . . .
C13 C -0.12471(13) 0.5525(3) -0.0901(2) 0.0607(9) Uani 1 1 d . . .
H13 H -0.1399 0.4879 -0.0982 0.073 Uiso 1 1 calc R . .
C14 C -0.12396(14) 0.7138(3) -0.1390(2) 0.0731(11) Uani 1 1 d . . .
H14 H -0.1390 0.7601 -0.1805 0.088 Uiso 1 1 calc R . .
C15 C -0.07993(13) 0.5805(3) -0.0154(2) 0.0586(9) Uani 1 1 d . . .
H15 H -0.0657 0.5350 0.0263 0.070 Uiso 1 1 calc R . .
C16 C -0.07901(14) 0.7421(3) -0.0652(2) 0.0693(11) Uani 1 1 d . . .
H16 H -0.0639 0.8066 -0.0577 0.083 Uiso 1 1 calc R . .
C17 C -0.05630(11) 0.6753(3) -0.00242(17) 0.0487(7) Uani 1 1 d . . .
C18 C 0.30722(14) 0.9068(3) 0.1114(2) 0.0615(9) Uani 1 1 d . . .
C19 C 0.35751(12) 0.8562(3) 0.1402(2) 0.0525(8) Uani 1 1 d . . .
C20 C 0.40404(14) 0.8829(3) 0.2126(2) 0.0691(10) Uani 1 1 d . . .
H20 H 0.4047 0.9384 0.2399 0.083 Uiso 1 1 calc R . .
C22 C 0.40359(12) 0.7236(3) 0.13103(19) 0.0567(8) Uani 1 1 d . . .
H22 H 0.4034 0.6710 0.1022 0.068 Uiso 1 1 calc R . .
C23 C 0.44951(12) 0.8284(3) 0.2451(2) 0.0666(10) Uani 1 1 d . . .
H23 H 0.4805 0.8470 0.2943 0.080 Uiso 1 1 calc R . .
C24 C 0.44985(11) 0.7464(2) 0.20552(18) 0.0495(7) Uani 1 1 d . A .
C25 C 0.5000 0.6799(4) 0.2500 0.0609(14) Uani 1 2 d S . .
C26 C 0.4963(9) 0.6237(19) 0.3153(12) 0.061(5) Uani 0.47(5) 1 d P A 1
C27 C 0.17443(14) 1.0128(3) -0.0625(2) 0.0614(9) Uani 1 1 d . . .
H27 H 0.1759 0.9409 -0.0594 0.074 Uiso 1 1 calc R . .
C29 C 0.15029(13) 1.0593(4) -0.1347(2) 0.0689(10) Uani 1 1 d . . .
H29 H 0.1363 1.0192 -0.1789 0.083 Uiso 1 1 calc R . .
C30 C 0.14741(12) 1.1634(3) -0.1398(2) 0.0667(10) Uani 1 1 d . . .
H30 H 0.1305 1.1953 -0.1882 0.080 Uiso 1 1 calc R . .
C31 C 0.16968(11) 1.2237(3) -0.07283(19) 0.0543(8) Uani 1 1 d . . .
C32 C 0.16899(15) 1.3341(3) -0.0739(3) 0.0702(11) Uani 1 1 d . . .
H32 H 0.1519 1.3692 -0.1212 0.084 Uiso 1 1 calc R . .
C33 C 0.19282(15) 1.3875(3) -0.0073(3) 0.0712(11) Uani 1 1 d . . .
H33 H 0.1919 1.4595 -0.0092 0.085 Uiso 1 1 calc R . .
C35 C 0.21953(13) 1.3372(3) 0.0666(2) 0.0581(9) Uani 1 1 d . . .
C36 C 0.24754(15) 1.3915(3) 0.1383(3) 0.0681(10) Uani 1 1 d . . .
H36 H 0.2486 1.4635 0.1394 0.082 Uiso 1 1 calc R . .
C37 C 0.27307(14) 1.3354(3) 0.2061(2) 0.0697(10) Uani 1 1 d . . .
H37 H 0.2922 1.3695 0.2541 0.084 Uiso 1 1 calc R . .
C38 C 0.27062(14) 1.2278(3) 0.2039(2) 0.0630(9) Uani 1 1 d . . .
H38 H 0.2877 1.1916 0.2507 0.076 Uiso 1 1 calc R . .
C26B C 0.5036(7) 0.5996(18) 0.2964(17) 0.079(6) Uani 0.53(5) 1 d P . 2
F1 F -0.05310(9) 0.8641(2) 0.07009(17) 0.0922(8) Uani 1 1 d . . .
F2 F -0.06626(10) 0.7243(2) 0.10779(17) 0.1046(9) Uani 1 1 d . . .
F5 F 0.03473(9) 0.5504(2) 0.10681(14) 0.0833(7) Uani 1 1 d . . .
F6 F 0.00106(10) 0.5750(2) 0.16090(13) 0.0941(8) Uani 1 1 d . . .
F7 F 0.4483(6) 0.585(2) 0.2808(8) 0.096(5) Uani 0.47(5) 1 d P A 1
F8 F 0.5048(8) 0.688(2) 0.3695(12) 0.089(4) Uani 0.47(5) 1 d P A 1
F9 F 0.5305(7) 0.5452(14) 0.3508(13) 0.108(7) Uani 0.47(5) 1 d P A 1
F7B F 0.4571(4) 0.5478(13) 0.2565(16) 0.116(8) Uani 0.53(5) 1 d P A 2
F8B F 0.5119(7) 0.643(2) 0.3585(12) 0.096(7) Uani 0.53(5) 1 d P A 2
F9B F 0.5403(5) 0.5269(10) 0.3242(16) 0.113(6) Uani 0.53(5) 1 d P A 2
In1 In 0.238182(7) 0.996602(16) 0.123986(12) 0.04698(11) Uani 1 1 d . . .
N1 N 0.19551(9) 1.0670(2) 0.00259(14) 0.0474(6) Uani 1 1 d . . .
N2 N 0.24462(9) 1.1747(2) 0.13697(15) 0.0494(6) Uani 1 1 d . . .
O2 O 0.16882(8) 0.87959(19) 0.05742(14) 0.0608(6) Uani 1 1 d . . .
O3 O 0.29173(11) 1.0078(2) 0.25588(16) 0.0745(8) Uani 1 1 d . . .
O4 O 0.28158(9) 0.8507(2) 0.21130(14) 0.0716(7) Uani 1 1 d . . .
O5 O 0.31149(12) 0.98932(18) 0.14692(19) 0.0643(7) Uani 1 1 d . . .
O7 O 0.2604(3) 0.6502(5) 0.1127(4) 0.150(3) Uiso 0.762(9) 1 d P B 3
H7A H 0.2356 0.6662 0.1134 0.180 Uiso 0.76 1 d P B 3
H7B H 0.2858 0.6478 0.1515 0.180 Uiso 0.76 1 d P B 3
O8 O 0.3280(8) 0.5832(14) 0.2438(11) 0.138(8) Uiso 0.238(9) 1 d P B 4
H8A H 0.3016 0.6034 0.2291 0.166 Uiso 0.24 1 d P B 4
H8B H 0.3309 0.6388 0.2193 0.166 Uiso 0.24 1 d P B 4
C28 C 0.19399(10) 1.1717(2) -0.00180(17) 0.0445(7) Uani 1 1 d . . .
O1 O 0.17104(11) 1.00555(18) 0.12552(17) 0.0659(7) Uani 1 1 d . . .
F4 F 0.07108(9) 0.6557(2) 0.20282(13) 0.0997(9) Uani 1 1 d . . .
O6 O 0.26422(9) 0.8665(2) 0.05977(18) 0.0802(8) Uani 1 1 d . . .
C34 C 0.21979(11) 1.2286(2) 0.06951(18) 0.0460(7) Uani 1 1 d . . .
F3 F 0.00695(10) 0.8054(2) 0.18679(14) 0.0941(8) Uani 1 1 d . . .
C21 C 0.35797(12) 0.7775(3) 0.09898(19) 0.0551(8) Uani 1 1 d . . .
H21 H 0.3272 0.7606 0.0490 0.066 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In 0.0822 5.0449 '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
O2 C1 O1 121.1(3) . .
O2 C1 C2 120.7(3) . .
O1 C1 C2 118.0(3) . .
O2 C1 In1 62.36(17) . .
O1 C1 In1 59.09(18) . .
C2 C1 In1 169.7(2) . .
C4 C2 C3 118.6(3) . .
C4 C2 C1 120.9(3) . .
C3 C2 C1 120.4(3) . .
C2 C3 C6 121.0(3) . .
C2 C3 H3 119.5 . .
C6 C3 H3 119.5 . .
C2 C4 C5 120.7(3) . .
C2 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C4 C5 C7 121.2(3) . .
C4 C5 H5 119.4 . .
C7 C5 H5 119.4 . .
C3 C6 C7 120.2(3) . .
C3 C6 H6 119.9 . .
C7 C6 H6 119.9 . .
C5 C7 C6 118.2(3) . .
C5 C7 C8 118.3(3) . .
C6 C7 C8 123.3(3) . .
C7 C8 C17 111.8(3) . .
C7 C8 C10 106.4(3) . .
C17 C8 C10 112.4(3) . .
C7 C8 C9 112.5(3) . .
C17 C8 C9 106.4(3) . .
C10 C8 C9 107.3(3) . .
F3 C9 F1 107.7(4) . .
F3 C9 F2 107.0(3) . .
F1 C9 F2 107.3(4) . .
F3 C9 C8 113.1(3) . .
F1 C9 C8 110.6(3) . .
F2 C9 C8 110.9(3) . .
F6 C10 F4 106.8(3) . .
F6 C10 F5 106.0(4) . .
F4 C10 F5 106.1(3) . .
F6 C10 C8 114.3(3) . .
F4 C10 C8 111.4(3) . .
F5 C10 C8 111.7(3) . .
O4 C11 O3 121.0(3) . .
O4 C11 C12 120.9(4) . 8_566
O3 C11 C12 118.0(4) . 8_566
O4 C11 In1 64.57(19) . .
O3 C11 In1 57.53(19) . .
C12 C11 In1 166.2(3) 8_566 .
C14 C12 C13 118.7(3) . .
C14 C12 C11 121.3(3) . 8_465
C13 C12 C11 120.0(3) . 8_465
C12 C13 C15 120.7(3) . .
C12 C13 H13 119.7 . .
C15 C13 H13 119.7 . .
C12 C14 C16 121.2(4) . .
C12 C14 H14 119.4 . .
C16 C14 H14 119.4 . .
C17 C15 C13 120.5(3) . .
C17 C15 H15 119.7 . .
C13 C15 H15 119.7 . .
C14 C16 C17 120.5(3) . .
C14 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C15 C17 C16 118.4(3) . .
C15 C17 C8 123.3(3) . .
C16 C17 C8 118.2(3) . .
O6 C18 O5 122.1(3) . .
O6 C18 C19 121.0(4) . .
O5 C18 C19 116.7(3) . .
C21 C19 C20 118.7(3) . .
C21 C19 C18 121.6(3) . .
C20 C19 C18 119.5(3) . .
C23 C20 C19 120.8(3) . .
C23 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C21 C22 C24 121.0(3) . .
C21 C22 H22 119.5 . .
C24 C22 H22 119.5 . .
C20 C23 C24 120.8(3) . .
C20 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C23 C24 C22 118.0(3) . .
C23 C24 C25 117.8(3) . .
C22 C24 C25 123.9(3) . .
C26B C25 C26B 86(3) 2_655 .
C26B C25 C24 115.4(11) 2_655 2_655
C26B C25 C24 113.0(8) . 2_655
C26B C25 C24 113.0(8) 2_655 .
C26B C25 C24 115.4(11) . .
C24 C25 C24 112.0(4) 2_655 .
C26B C25 C26 23.0(11) 2_655 2_655
C26B C25 C26 107(2) . 2_655
C24 C25 C26 98.5(10) 2_655 2_655
C24 C25 C26 109.3(7) . 2_655
C26B C25 C26 107(2) 2_655 .
C26B C25 C26 23.0(11) . .
C24 C25 C26 109.3(7) 2_655 .
C24 C25 C26 98.5(10) . .
C26 C25 C26 129(2) 2_655 .
F8 C26 F9 109.2(15) . .
F8 C26 F7 103.6(14) . .
F9 C26 F7 107.1(15) . .
F8 C26 C25 114.8(15) . .
F9 C26 C25 109.2(14) . .
F7 C26 C25 112.4(13) . .
N1 C27 C29 122.6(4) . .
N1 C27 H27 118.7 . .
C29 C27 H27 118.7 . .
C30 C29 C27 119.1(4) . .
C30 C29 H29 120.4 . .
C27 C29 H29 120.4 . .
C29 C30 C31 120.3(3) . .
C29 C30 H30 119.8 . .
C31 C30 H30 119.8 . .
C30 C31 C28 117.5(3) . .
C30 C31 C32 123.2(3) . .
C28 C31 C32 119.4(3) . .
C33 C32 C31 120.4(4) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C32 C33 C35 121.8(4) . .
C32 C33 H33 119.1 . .
C35 C33 H33 119.1 . .
C34 C35 C33 119.3(3) . .
C34 C35 C36 117.7(3) . .
C33 C35 C36 123.0(4) . .
C37 C36 C35 118.2(4) . .
C37 C36 H36 120.9 . .
C35 C36 H36 120.9 . .
C36 C37 C38 120.7(4) . .
C36 C37 H37 119.7 . .
C38 C37 H37 119.7 . .
N2 C38 C37 122.3(4) . .
N2 C38 H38 118.9 . .
C37 C38 H38 118.9 . .
F8B C26B F9B 107.1(17) . .
F8B C26B F7B 105.9(13) . .
F9B C26B F7B 105.6(14) . .
F8B C26B C25 108.1(15) . .
F9B C26B C25 118.6(14) . .
F7B C26B C25 110.8(15) . .
F8B C26B C26B 155.0(14) . 2_655
F9B C26B C26B 86.8(10) . 2_655
F7B C26B C26B 89.5(16) . 2_655
C25 C26B C26B 47.2(15) . 2_655
O5 In1 O1 168.80(11) . .
O5 In1 O3 82.44(12) . .
O1 In1 O3 86.36(11) . .
O5 In1 N1 92.61(10) . .
O1 In1 N1 97.47(10) . .
O3 In1 N1 152.19(10) . .
O5 In1 N2 90.83(9) . .
O1 In1 N2 87.69(9) . .
O3 In1 N2 80.87(9) . .
N1 In1 N2 71.83(9) . .
O5 In1 O2 129.10(10) . .
O1 In1 O2 57.29(9) . .
O3 In1 O2 120.05(10) . .
N1 In1 O2 84.16(9) . .
N2 In1 O2 134.61(8) . .
O5 In1 O4 76.99(9) . .
O1 In1 O4 96.44(9) . .
O3 In1 O4 55.85(9) . .
N1 In1 O4 149.38(10) . .
N2 In1 O4 135.96(9) . .
O2 In1 O4 80.67(8) . .
O5 In1 C1 155.67(11) . .
O1 In1 C1 29.00(10) . .
O3 In1 C1 103.24(11) . .
N1 In1 C1 92.52(9) . .
N2 In1 C1 113.35(10) . .
O2 In1 C1 28.39(10) . .
O4 In1 C1 86.63(9) . .
O5 In1 C11 75.17(11) . .
O1 In1 C11 94.75(11) . .
O3 In1 C11 28.36(11) . .
N1 In1 C11 167.77(10) . .
N2 In1 C11 108.22(12) . .
O2 In1 C11 103.04(10) . .
O4 In1 C11 27.83(11) . .
C1 In1 C11 98.47(10) . .
C27 N1 C28 118.5(3) . .
C27 N1 In1 124.7(2) . .
C28 N1 In1 116.7(2) . .
C38 N2 C34 118.0(3) . .
C38 N2 In1 126.4(2) . .
C34 N2 In1 115.6(2) . .
C1 O2 In1 89.2(2) . .
C11 O3 In1 94.1(2) . .
C11 O4 In1 87.6(2) . .
C18 O5 In1 103.3(2) . .
H7A O7 H7B 112.6 . .
H8A O8 H8B 90.2 . .
N1 C28 C31 121.9(3) . .
N1 C28 C34 117.7(3) . .
C31 C28 C34 120.3(3) . .
C1 O1 In1 91.9(2) . .
N2 C34 C35 123.2(3) . .
N2 C34 C28 118.0(3) . .
C35 C34 C28 118.7(3) . .
C22 C21 C19 120.5(3) . .
C22 C21 H21 119.7 . .
C19 C21 H21 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.245(4) .
C1 O1 1.270(4) .
C1 C2 1.504(5) .
C1 In1 2.617(3) .
C2 C4 1.376(5) .
C2 C3 1.383(5) .
C3 C6 1.387(5) .
C3 H3 0.9300 .
C4 C5 1.377(5) .
C4 H4 0.9300 .
C5 C7 1.383(4) .
C5 H5 0.9300 .
C6 C7 1.388(5) .
C6 H6 0.9300 .
C7 C8 1.542(4) .
C8 C17 1.545(4) .
C8 C10 1.550(5) .
C8 C9 1.549(5) .
C9 F3 1.330(4) .
C9 F1 1.334(5) .
C9 F2 1.334(4) .
C10 F6 1.323(4) .
C10 F4 1.333(4) .
C10 F5 1.335(5) .
C11 O4 1.244(5) .
C11 O3 1.268(4) .
C11 C12 1.502(4) 8_566
C11 In1 2.663(3) .
C12 C14 1.366(5) .
C12 C13 1.373(5) .
C12 C11 1.502(4) 8_465
C13 C15 1.386(4) .
C13 H13 0.9300 .
C14 C16 1.378(5) .
C14 H14 0.9300 .
C15 C17 1.380(4) .
C15 H15 0.9300 .
C16 C17 1.381(5) .
C16 H16 0.9300 .
C18 O6 1.231(4) .
C18 O5 1.278(4) .
C18 C19 1.497(4) .
C19 C21 1.373(5) .
C19 C20 1.377(5) .
C20 C23 1.373(5) .
C20 H20 0.9300 .
C22 C21 1.375(4) .
C22 C24 1.384(4) .
C22 H22 0.9300 .
C23 C24 1.380(5) .
C23 H23 0.9300 .
C24 C25 1.537(4) .
C25 C26B 1.41(2) 2_655
C25 C26B 1.41(2) .
C25 C24 1.537(4) 2_655
C25 C26 1.70(2) 2_655
C25 C26 1.70(2) .
C26 F8 1.33(3) .
C26 F9 1.34(3) .
C26 F7 1.34(2) .
C27 N1 1.330(4) .
C27 C29 1.387(5) .
C27 H27 0.9300 .
C29 C30 1.347(6) .
C29 H29 0.9300 .
C30 C31 1.398(5) .
C30 H30 0.9300 .
C31 C28 1.399(4) .
C31 C32 1.425(5) .
C32 C33 1.337(6) .
C32 H32 0.9300 .
C33 C35 1.425(5) .
C33 H33 0.9300 .
C35 C34 1.404(4) .
C35 C36 1.411(5) .
C36 C37 1.368(6) .
C36 H36 0.9300 .
C37 C38 1.391(5) .
C37 H37 0.9300 .
C38 N2 1.333(4) .
C38 H38 0.9300 .
C26B F8B 1.34(2) .
C26B F9B 1.33(2) .
C26B F7B 1.360(19) .
C26B C26B 1.92(7) 2_655
In1 O5 2.137(3) .
In1 O1 2.247(3) .
In1 O3 2.253(3) .
In1 N1 2.280(2) .
In1 N2 2.310(3) .
In1 O2 2.319(2) .
In1 O4 2.407(3) .
N1 C28 1.354(4) .
N2 C34 1.350(4) .
O7 H7A 0.8567 .
O7 H7B 0.7209 .
O8 H8A 0.7545 .
O8 H8B 0.9413 .
C28 C34 1.428(4) .
C21 H21 0.9300 .
