#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:50:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180198 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/94/7109427.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_7109427
loop_
_publ_author_name
'Tamas Panda'
'Tanay Kundu'
'Rahul Banerjee'
_publ_section_title
;
 Structural isomerism leading to variable proton conductivity in
 indium(III) isophthalic acid based frameworks
;
_journal_name_full               Chem.Commun.
_journal_page_first              6197
_journal_paper_doi               10.1039/c3cc41939h
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C16H8InO8, C3H7NO, C2H8N'
_chemical_formula_sum            'C21 H23 In N2 O9'
_chemical_formula_weight         562.23
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 125.260(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9876(3)
_cell_length_b                   13.0329(4)
_cell_length_c                   18.3012(6)
_cell_measurement_reflns_used    4486
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.72
_cell_measurement_theta_min      4.50
_cell_volume                     2334.70(13)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8741
_diffrn_reflns_theta_full        70.72
_diffrn_reflns_theta_max         70.72
_diffrn_reflns_theta_min         4.50
_exptl_absorpt_coefficient_mu    8.564
_exptl_absorpt_correction_T_max  0.277
_exptl_absorpt_correction_T_min  0.118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, Acta Cryst. (1995) A51 33-58'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.115
_refine_diff_density_rms         0.015
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         4486
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1030P)²+0.1571P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
_refine_ls_wR_factor_ref         0.1854
_reflns_number_gt                4027
_reflns_number_total             4486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc41939h.txt
_cod_data_source_block           In-IA-2D-2_final
_cod_original_cell_volume        2334.70(12)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7109427
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
C1 C 0.2763(6) 0.4677(5) 0.1242(4) 0.0344(14) Uani 1 1 d .
C2 C 0.2914(6) 0.5360(5) 0.1951(4) 0.0355(14) Uani 1 1 d .
C3 C 0.4124(6) 0.5895(5) 0.2529(4) 0.0351(14) Uani 1 1 d .
H3 H 0.4840 0.5849 0.2468 0.042 Uiso 1 1 calc R
C4 C 0.4250(7) 0.6503(4) 0.3204(4) 0.0367(15) Uani 1 1 d .
C5 C 0.3170(7) 0.6579(5) 0.3288(5) 0.0391(15) Uani 1 1 d .
H5 H 0.3262 0.6979 0.3740 0.047 Uiso 1 1 calc R
C6 C 0.1960(6) 0.6060(5) 0.2700(4) 0.0401(15) Uani 1 1 d .
H6 H 0.1236 0.6119 0.2753 0.048 Uiso 1 1 calc R
C7 C 0.1827(6) 0.5451(5) 0.2031(4) 0.0369(14) Uani 1 1 d .
H7 H 0.1014 0.5104 0.1636 0.044 Uiso 1 1 calc R
C8 C 0.5525(6) 0.7100(5) 0.3810(4) 0.0364(14) Uani 1 1 d .
C9 C 0.2257(6) 0.4649(4) -0.1181(4) 0.0335(14) Uani 1 1 d .
C10 C 0.2071(6) 0.5338(5) -0.1900(4) 0.0350(14) Uani 1 1 d .
C11 C 0.0873(6) 0.5890(5) -0.2443(4) 0.0349(14) Uani 1 1 d .
H11 H 0.0190 0.5854 -0.2349 0.042 Uiso 1 1 calc R
C12 C 0.0695(7) 0.6499(4) -0.3129(4) 0.0368(15) Uani 1 1 d .
C13 C 0.1735(7) 0.6550(5) -0.3254(5) 0.0394(16) Uani 1 1 d .
H13 H 0.1610 0.6944 -0.3720 0.047 Uiso 1 1 calc R
C14 C 0.2950(7) 0.6026(5) -0.2698(5) 0.0408(15) Uani 1 1 d .
H14 H 0.3647 0.6083 -0.2778 0.049 Uiso 1 1 calc R
C15 C 0.3119(6) 0.5412(5) -0.2019(4) 0.0374(14) Uani 1 1 d .
H15 H 0.3928 0.5051 -0.1645 0.045 Uiso 1 1 calc R
C16 C -0.0593(6) 0.7101(5) -0.3713(4) 0.0391(15) Uani 1 1 d .
C17 C 0.4086(7) 0.1040(5) 0.9084(5) 0.0465(16) Uani 1 1 d .
H17A H 0.3141 0.0854 0.8771 0.070 Uiso 1 1 calc R
H17B H 0.4533 0.0949 0.9716 0.070 Uiso 1 1 calc R
H17C H 0.4516 0.0613 0.8887 0.070 Uiso 1 1 calc R
C18 C 0.3562(8) 0.2332(6) 0.7948(5) 0.0546(18) Uani 1 1 d .
H18A H 0.2653 0.2055 0.7594 0.082 Uiso 1 1 calc R
H18B H 0.4098 0.2021 0.7771 0.082 Uiso 1 1 calc R
H18C H 0.3524 0.3060 0.7857 0.082 Uiso 1 1 calc R
C19 C 0.1834(14) 0.7924(11) 0.9900(9) 0.094(3) Uiso 1 1 d .
H19 H 0.1530 0.7250 0.9748 0.113 Uiso 1 1 calc R
C20 C -0.0385(10) 0.8532(7) 0.8903(7) 0.065(2) Uiso 1 1 d .
H20A H -0.0519 0.8330 0.8353 0.098 Uiso 1 1 calc R
H20B H -0.0850 0.9169 0.8815 0.098 Uiso 1 1 calc R
H20C H -0.0745 0.8012 0.9084 0.098 Uiso 1 1 calc R
C21 C 0.1760(11) 0.9774(8) 0.9862(7) 0.074(2) Uiso 1 1 d .
H21A H 0.1147 1.0262 0.9847 0.111 Uiso 1 1 calc R
H21B H 0.1966 0.9980 0.9448 0.111 Uiso 1 1 calc R
H21C H 0.2589 0.9745 1.0455 0.111 Uiso 1 1 calc R
In1 In 0.25212(3) 0.34414(3) 0.00527(2) 0.0323(8) Uani 1 1 d .
N1 N 0.4190(6) 0.2117(4) 0.8899(4) 0.0411(14) Uani 1 1 d .
H1A H 0.3785 0.2512 0.9087 0.049 Uiso 1 1 d R
H1B H 0.5078 0.2294 0.9217 0.049 Uiso 1 1 d R
N2 N 0.1054(11) 0.8660(8) 0.9586(7) 0.086(3) Uiso 1 1 d .
O1 O 0.1718(4) 0.4117(3) 0.0786(3) 0.0368(12) Uani 1 1 d .
O2 O 0.3692(4) 0.4653(3) 0.1119(3) 0.0373(12) Uani 1 1 d .
O3 O 0.5677(5) 0.7544(3) 0.4491(3) 0.0392(12) Uani 1 1 d .
O4 O 0.6422(5) 0.7200(4) 0.3669(3) 0.0423(13) Uani 1 1 d .
O5 O 0.1356(4) 0.4631(3) -0.1025(3) 0.0379(12) Uani 1 1 d .
O6 O 0.3304(4) 0.4090(3) -0.0737(3) 0.0357(12) Uani 1 1 d .
O7 O -0.1414(5) 0.7209(4) -0.3518(3) 0.0467(13) Uani 1 1 d .
O8 O -0.0793(5) 0.7490(4) -0.4428(3) 0.0427(12) Uani 1 1 d .
O9 O 0.3199(7) 0.8172(5) 1.0498(4) 0.0655(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 0.0181 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'
In In 0.0822 5.0449 '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'
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 120.8(5) . .
O2 C1 C2 119.6(5) . .
O1 C1 C2 119.6(5) . .
C3 C2 C7 120.2(6) . .
C3 C2 C1 120.6(6) . .
C7 C2 C1 119.3(5) . .
C2 C3 C4 119.3(6) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C5 C4 C3 120.2(6) . .
C5 C4 C8 120.1(6) . .
C3 C4 C8 119.7(6) . .
C6 C5 C4 120.2(6) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C7 119.9(6) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C6 C7 C2 120.1(6) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
O4 C8 O3 119.6(6) . .
O4 C8 C4 122.5(6) . .
O3 C8 C4 117.8(6) . .
O4 C8 In1 67.9(3) . 2_655
O3 C8 In1 52.1(3) . 2_655
C4 C8 In1 167.6(5) . 2_655
O6 C9 O5 120.3(5) . .
O6 C9 C10 120.0(5) . .
O5 C9 C10 119.7(5) . .
C11 C10 C15 120.4(6) . .
C11 C10 C9 120.5(5) . .
C15 C10 C9 119.1(5) . .
C10 C11 C12 119.9(6) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C11 C12 C13 119.3(6) . .
C11 C12 C16 120.1(6) . .
C13 C12 C16 120.6(6) . .
C14 C13 C12 121.1(6) . .
C14 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C13 C14 C15 119.4(6) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
C14 C15 C10 119.9(6) . .
C14 C15 H15 120.0 . .
C10 C15 H15 120.0 . .
O7 C16 O8 122.5(6) . .
O7 C16 C12 121.3(6) . .
O8 C16 C12 116.2(6) . .
N1 C17 H17A 109.5 . .
N1 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N1 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N1 C18 H18A 109.5 . .
N1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N2 C19 O9 115.0(12) . .
N2 C19 H19 122.5 . .
O9 C19 H19 122.5 . .
N2 C20 H20A 109.5 . .
N2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N2 C21 H21A 109.5 . .
N2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O8 In1 O3 110.1(2) 2_544 2_645
O8 In1 O1 85.83(17) 2_544 .
O3 In1 O1 131.58(16) 2_645 .
O8 In1 O5 90.66(17) 2_544 .
O3 In1 O5 133.56(16) 2_645 .
O1 In1 O5 89.46(16) . .
O8 In1 O2 143.97(17) 2_544 .
O3 In1 O2 93.45(16) 2_645 .
O1 In1 O2 58.30(16) . .
O5 In1 O2 92.17(18) . .
O8 In1 O6 120.65(16) 2_544 .
O3 In1 O6 76.18(16) 2_645 .
O1 In1 O6 135.13(18) . .
O5 In1 O6 57.70(15) . .
O2 In1 O6 90.61(16) . .
O8 In1 O4 86.28(17) 2_544 2_645
O3 In1 O4 55.54(16) 2_645 2_645
O1 In1 O4 81.65(15) . 2_645
O5 In1 O4 170.79(16) . 2_645
O2 In1 O4 85.27(16) . 2_645
O6 In1 O4 131.06(15) . 2_645
O8 In1 C8 100.50(19) 2_544 2_645
O3 In1 C8 28.14(18) 2_645 2_645
O1 In1 C8 106.01(17) . 2_645
O5 In1 C8 161.41(18) . 2_645
O2 In1 C8 87.50(16) . 2_645
O6 In1 C8 103.72(17) . 2_645
O4 In1 C8 27.50(18) 2_645 2_645
C17 N1 C18 113.7(6) . .
C17 N1 H1A 108.8 . .
C18 N1 H1A 108.9 . .
C17 N1 H1B 108.8 . .
C18 N1 H1B 108.8 . .
H1A N1 H1B 107.7 . .
C19 N2 C20 121.5(11) . .
C19 N2 C21 116.0(11) . .
C20 N2 C21 121.8(9) . .
C1 O1 In1 91.0(4) . .
C1 O2 In1 89.9(4) . .
C8 O3 In1 99.7(4) . 2_655
C8 O4 In1 84.6(4) . 2_655
C9 O5 In1 91.8(3) . .
C9 O6 In1 90.1(3) . .
C16 O8 In1 109.3(4) . 2_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.258(8) .
C1 O1 1.261(8) .
C1 C2 1.497(8) .
C2 C3 1.392(8) .
C2 C7 1.397(9) .
C3 C4 1.400(9) .
C3 H3 0.9300 .
C4 C5 1.392(10) .
C4 C8 1.488(9) .
C5 C6 1.385(10) .
C5 H5 0.9300 .
C6 C7 1.388(9) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O4 1.248(8) .
C8 O3 1.288(8) .
C8 In1 2.692(6) 2_655
C9 O6 1.260(8) .
C9 O5 1.266(8) .
C9 C10 1.500(8) .
C10 C11 1.385(8) .
C10 C15 1.397(9) .
C11 C12 1.393(9) .
C11 H11 0.9300 .
C12 C13 1.395(10) .
C12 C16 1.496(9) .
C13 C14 1.382(9) .
C13 H13 0.9300 .
C14 C15 1.391(9) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O7 1.233(9) .
C16 O8 1.291(8) .
C17 N1 1.466(9) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 N1 1.471(9) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 N2 1.226(16) .
C19 O9 1.383(16) .
C19 H19 0.9300 .
C20 N2 1.442(14) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 N2 1.608(14) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
In1 O8 2.098(5) 2_544
In1 O3 2.156(4) 2_645
In1 O1 2.235(4) .
In1 O5 2.251(4) .
In1 O2 2.261(4) .
In1 O6 2.291(4) .
In1 O4 2.504(5) 2_645
In1 C8 2.692(6) 2_645
N1 H1A 0.8999 .
N1 H1B 0.8999 .
O3 In1 2.156(4) 2_655
O4 In1 2.504(5) 2_655
O8 In1 2.098(5) 2_554
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_4
O2 C1 C2 C3 -5.9(9) . .
O1 C1 C2 C3 172.7(5) . .
O2 C1 C2 C7 174.4(5) . .
O1 C1 C2 C7 -7.0(9) . .
C7 C2 C3 C4 1.6(9) . .
C1 C2 C3 C4 -178.0(5) . .
C2 C3 C4 C5 -0.7(9) . .
C2 C3 C4 C8 -178.4(5) . .
C3 C4 C5 C6 -0.5(9) . .
C8 C4 C5 C6 177.1(6) . .
C4 C5 C6 C7 0.8(10) . .
C5 C6 C7 C2 0.1(10) . .
C3 C2 C7 C6 -1.3(9) . .
C1 C2 C7 C6 178.3(6) . .
C5 C4 C8 O4 -167.4(6) . .
C3 C4 C8 O4 10.3(9) . .
C5 C4 C8 O3 11.0(8) . .
C3 C4 C8 O3 -171.3(5) . .
C5 C4 C8 In1 -23(2) . 2_655
C3 C4 C8 In1 155.2(17) . 2_655
O6 C9 C10 C11 174.5(5) . .
O5 C9 C10 C11 -5.2(9) . .
O6 C9 C10 C15 -5.2(9) . .
O5 C9 C10 C15 175.1(5) . .
C15 C10 C11 C12 1.9(9) . .
C9 C10 C11 C12 -177.8(5) . .
C10 C11 C12 C13 -0.5(9) . .
C10 C11 C12 C16 -179.7(5) . .
C11 C12 C13 C14 -1.5(9) . .
C16 C12 C13 C14 177.7(6) . .
C12 C13 C14 C15 2.0(10) . .
C13 C14 C15 C10 -0.6(10) . .
C11 C10 C15 C14 -1.4(9) . .
C9 C10 C15 C14 178.3(6) . .
C11 C12 C16 O7 12.0(9) . .
C13 C12 C16 O7 -167.1(6) . .
C11 C12 C16 O8 -167.6(6) . .
C13 C12 C16 O8 13.3(9) . .
O9 C19 N2 C20 175.1(9) . .
O9 C19 N2 C21 4.6(16) . .
O2 C1 O1 In1 0.8(6) . .
C2 C1 O1 In1 -177.7(5) . .
O8 In1 O1 C1 176.0(4) 2_544 .
O3 In1 O1 C1 62.6(4) 2_645 .
O5 In1 O1 C1 -93.3(3) . .
O2 In1 O1 C1 -0.5(3) . .
O6 In1 O1 C1 -53.4(4) . .
O4 In1 O1 C1 89.1(3) 2_645 .
C8 In1 O1 C1 76.2(4) 2_645 .
O1 C1 O2 In1 -0.8(6) . .
C2 C1 O2 In1 177.7(5) . .
O8 In1 O2 C1 -5.6(5) 2_544 .
O3 In1 O2 C1 -137.6(3) 2_645 .
O1 In1 O2 C1 0.5(3) . .
O5 In1 O2 C1 88.5(3) . .
O6 In1 O2 C1 146.2(3) . .
O4 In1 O2 C1 -82.6(3) 2_645 .
C8 In1 O2 C1 -110.1(4) 2_645 .
O4 C8 O3 In1 7.1(6) . 2_655
C4 C8 O3 In1 -171.4(4) . 2_655
O3 C8 O4 In1 -6.0(5) . 2_655
C4 C8 O4 In1 172.3(5) . 2_655
O6 C9 O5 In1 -0.6(6) . .
C10 C9 O5 In1 179.2(5) . .
O8 In1 O5 C9 -126.2(4) 2_544 .
O3 In1 O5 C9 -7.2(4) 2_645 .
O1 In1 O5 C9 147.9(3) . .
O2 In1 O5 C9 89.7(3) . .
O6 In1 O5 C9 0.3(3) . .
O4 In1 O5 C9 163.3(9) 2_645 .
C8 In1 O5 C9 1.1(7) 2_645 .
O5 C9 O6 In1 0.6(6) . .
C10 C9 O6 In1 -179.2(5) . .
O8 In1 O6 C9 68.7(4) 2_544 .
O3 In1 O6 C9 174.1(4) 2_645 .
O1 In1 O6 C9 -49.7(4) . .
O5 In1 O6 C9 -0.3(3) . .
O2 In1 O6 C9 -92.5(3) . .
O4 In1 O6 C9 -176.8(3) 2_645 .
C8 In1 O6 C9 179.9(3) 2_645 .
O7 C16 O8 In1 7.3(8) . 2_554
C12 C16 O8 In1 -173.1(4) . 2_554
