# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1439070'
_audit_update_record             
;
2015-11-26 deposited with the CCDC.
2016-04-15 downloaded from the CCDC.
;
_chemical_name_systematic        '[(p-MeOAr-BIAN)2InCl2][InCl4]'
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H20 Cl3 In N2 O2'
_chemical_formula_iupac          ?
_chemical_formula_weight         613.61

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6102(4)
_cell_length_b                   15.9145(7)
_cell_length_c                   17.2004(8)
_cell_angle_alpha                79.7863(13)
_cell_angle_beta                 76.3618(14)
_cell_angle_gamma                74.1154(12)
_cell_volume                     2440.90(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9940
_cell_measurement_theta_min      2.2478
_cell_measurement_theta_max      29.9044
_cell_measurement_temperature    103.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.320
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224

_exptl_absorpt_coefficient_mu    1.324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_T_max  0.68

_exptl_special_details           
;
;

_diffrn_ambient_temperature      103.(2)

_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            72379
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_theta_min         2.94
_diffrn_reflns_theta_max         31.11
_diffrn_reflns_theta_full        31.11
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24

_refine_special_details          
;
;

_reflns_number_total             15605
_reflns_number_gt                12545
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0321
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0663
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_number_reflns         15605
_refine_ls_number_parameters     617
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0191P)²+1.4807P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.557
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'APEX2 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2014)'
_computing_publication_material  'APEX2 (Bruker AXS Inc., 2014)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 1.0691(3) 0.64074(19) 0.31967(15) 0.0302(6) Uani d . . . 1 . .
H H1A 1.0823 0.7009 0.3085 0.045 Uiso calc U . R 1 . .
H H1B 1.1041 0.6126 0.27 0.045 Uiso calc U . R 1 . .
H H1C 1.1259 0.6071 0.3604 0.045 Uiso calc U . R 1 . .
C C2 0.8479(2) 0.68261(13) 0.41657(12) 0.0135(4) Uani d . . . 1 . .
C C3 0.9157(2) 0.72265(13) 0.45775(12) 0.0135(4) Uani d . . . 1 . .
H H3 1.016 0.7246 0.4386 0.016 Uiso calc U . R 1 . .
C C4 0.8353(2) 0.75983(13) 0.52725(12) 0.0123(4) Uani d . . . 1 . .
H H4 0.8823 0.7842 0.5574 0.015 Uiso calc U . R 1 . .
C C5 0.6866(2) 0.76122(13) 0.55240(11) 0.0105(4) Uani d . . . 1 . .
C C6 0.6190(2) 0.72040(13) 0.51174(12) 0.0108(4) Uani d . . . 1 . .
H H6 0.5178 0.72 0.5301 0.013 Uiso calc U . R 1 . .
C C7 0.6998(2) 0.68054(13) 0.44472(12) 0.0132(4) Uani d . . . 1 . .
H H7 0.6546 0.6515 0.4175 0.016 Uiso calc U . R 1 . .
C C8 0.4835(2) 0.85938(12) 0.62411(12) 0.0095(4) Uani d . . . 1 . .
C C9 0.3995(2) 0.90736(13) 0.56175(12) 0.0116(4) Uani d . . . 1 . .
C C10 0.4232(2) 0.91260(13) 0.47892(12) 0.0144(4) Uani d . . . 1 . .
H H10 0.5104 0.8782 0.4497 0.017 Uiso calc U . R 1 . .
C C11 0.3151(2) 0.97015(14) 0.43829(13) 0.0165(4) Uani d . . . 1 . .
H H11 0.3316 0.9744 0.3812 0.02 Uiso calc U . R 1 . .
C C12 0.1864(2) 1.02036(14) 0.47896(13) 0.0170(4) Uani d . . . 1 . .
H H12 0.115 1.0569 0.4498 0.02 Uiso calc U . R 1 . .
C C13 0.1599(2) 1.01788(13) 0.56390(13) 0.0145(4) Uani d . . . 1 . .
C C14 0.0359(2) 1.06800(14) 0.61312(14) 0.0167(4) Uani d . . . 1 . .
H H14 -0.0425 1.1058 0.5896 0.02 Uiso calc U . R 1 . .
C C15 0.0285(2) 1.06222(14) 0.69484(14) 0.0172(4) Uani d . . . 1 . .
H H15 -0.0554 1.0967 0.7264 0.021 Uiso calc U . R 1 . .
C C16 0.1411(2) 1.00689(13) 0.73342(13) 0.0150(4) Uani d . . . 1 . .
H H16 0.1346 1.0051 0.7896 0.018 Uiso calc U . R 1 . .
C C17 0.2606(2) 0.95555(13) 0.68733(12) 0.0115(4) Uani d . . . 1 . .
C C18 0.2691(2) 0.96151(13) 0.60307(12) 0.0121(4) Uani d . . . 1 . .
C C19 0.3973(2) 0.89256(13) 0.70341(12) 0.0105(4) Uani d . . . 1 . .
C C20 0.3729(2) 0.89187(13) 0.84373(12) 0.0110(4) Uani d . . . 1 . .
C C21 0.2474(2) 0.86224(14) 0.88370(12) 0.0145(4) Uani d . . . 1 . .
H H21 0.2132 0.8242 0.8599 0.017 Uiso calc U . R 1 . .
C C22 0.1733(2) 0.88858(14) 0.95791(13) 0.0148(4) Uani d . . . 1 . .
H H22 0.089 0.8677 0.9855 0.018 Uiso calc U . R 1 . .
C C23 0.2216(2) 0.94565(13) 0.99263(12) 0.0121(4) Uani d . . . 1 . .
C C24 0.1860(3) 1.02480(14) 1.10417(13) 0.0182(5) Uani d . . . 1 . .
H H24A 0.2828 0.9939 1.1166 0.027 Uiso calc U . R 1 . .
H H24B 0.1152 1.0384 1.1542 0.027 Uiso calc U . R 1 . .
H H24C 0.1937 1.0796 1.0689 0.027 Uiso calc U . R 1 . .
C C25 0.3476(2) 0.97382(13) 0.95339(12) 0.0131(4) Uani d . . . 1 . .
H H25 0.3816 1.012 0.9771 0.016 Uiso calc U . R 1 . .
C C26 0.4243(2) 0.94600(13) 0.87903(12) 0.0123(4) Uani d . . . 1 . .
H H26 0.5117 0.9642 0.8527 0.015 Uiso calc U . R 1 . .
C C27 0.1712(2) 0.54820(16) 0.54732(14) 0.0213(5) Uani d . . . 1 . .
H H27A 0.1063 0.5405 0.6 0.032 Uiso calc U . R 1 . .
H H27B 0.1583 0.5106 0.5115 0.032 Uiso calc U . R 1 . .
H H27C 0.146 0.6099 0.5239 0.032 Uiso calc U . R 1 . .
C C28 0.3574(2) 0.56822(13) 0.60728(12) 0.0126(4) Uani d . . . 1 . .
C C29 0.5004(2) 0.53483(13) 0.62235(12) 0.0137(4) Uani d . . . 1 . .
H H29 0.5649 0.4866 0.5965 0.016 Uiso calc U . R 1 . .
C C30 0.5476(2) 0.57204(13) 0.67476(12) 0.0129(4) Uani d . . . 1 . .
H H30 0.6452 0.5501 0.6843 0.015 Uiso calc U . R 1 . .
C C31 0.4519(2) 0.64201(13) 0.71383(12) 0.0112(4) Uani d . . . 1 . .
C C32 0.3124(2) 0.67740(14) 0.69640(13) 0.0150(4) Uani d . . . 1 . .
H H32 0.2494 0.7269 0.721 0.018 Uiso calc U . R 1 . .
C C33 0.2643(2) 0.64070(14) 0.64301(13) 0.0146(4) Uani d . . . 1 . .
H H33 0.1687 0.665 0.631 0.018 Uiso calc U . R 1 . .
C C34 0.4520(2) 0.65298(13) 0.84818(12) 0.0098(4) Uani d . . . 1 . .
C C35 0.3488(2) 0.59925(13) 0.89081(12) 0.0113(4) Uani d . . . 1 . .
C C36 0.2689(2) 0.55172(13) 0.86628(13) 0.0140(4) Uani d . . . 1 . .
H H36 0.2683 0.5535 0.8109 0.017 Uiso calc U . R 1 . .
C C37 0.1885(2) 0.50062(14) 0.92638(14) 0.0164(4) Uani d . . . 1 . .
H H37 0.1341 0.4672 0.9105 0.02 Uiso calc U . R 1 . .
C C38 0.1861(2) 0.49753(13) 1.00716(13) 0.0153(4) Uani d . . . 1 . .
H H38 0.1278 0.4639 1.0457 0.018 Uiso calc U . R 1 . .
C C39 0.2692(2) 0.54381(13) 1.03348(13) 0.0128(4) Uani d . . . 1 . .
C C40 0.2848(2) 0.54108(13) 1.11409(13) 0.0148(4) Uani d . . . 1 . .
H H40 0.2295 0.5098 1.1569 0.018 Uiso calc U . R 1 . .
C C41 0.3799(2) 0.58378(14) 1.13013(13) 0.0151(4) Uani d . . . 1 . .
H H41 0.3901 0.5803 1.1843 0.018 Uiso calc U . R 1 . .
C C42 0.4631(2) 0.63269(13) 1.06889(12) 0.0119(4) Uani d . . . 1 . .
H H42 0.5289 0.6607 1.0818 0.014 Uiso calc U . R 1 . .
C C43 0.4472(2) 0.63902(12) 0.99027(12) 0.0095(4) Uani d . . . 1 . .
C C44 0.3498(2) 0.59426(13) 0.97378(12) 0.0101(4) Uani d . . . 1 . .
C C45 0.5169(2) 0.67783(12) 0.91106(11) 0.0091(4) Uani d . . . 1 . .
C C46 0.7064(2) 0.73553(12) 0.93619(11) 0.0091(4) Uani d . . . 1 . .
C C47 0.8600(2) 0.71036(13) 0.91257(12) 0.0109(4) Uani d . . . 1 . .
H H47 0.9036 0.6878 0.8625 0.013 Uiso calc U . R 1 . .
C C48 0.9478(2) 0.71852(13) 0.96240(12) 0.0123(4) Uani d . . . 1 . .
H H48 1.0521 0.6997 0.9473 0.015 Uiso calc U . R 1 . .
C C49 0.8843(2) 0.75421(13) 1.03488(12) 0.0123(4) Uani d . . . 1 . .
C C50 0.9252(3) 0.79697(18) 1.15267(14) 0.0260(5) Uani d . . . 1 . .
H H50A 0.8666 0.8569 1.1408 0.039 Uiso calc U . R 1 . .
H H50B 1.0075 0.799 1.1762 0.039 Uiso calc U . R 1 . .
H H50C 0.8628 0.7625 1.1909 0.039 Uiso calc U . R 1 . .
C C51 0.7312(2) 0.78553(13) 1.05541(12) 0.0120(4) Uani d . . . 1 . .
H H51 0.6879 0.8132 1.1029 0.014 Uiso calc U . R 1 . .
C C52 0.6427(2) 0.77584(13) 1.00581(12) 0.0103(4) Uani d . . . 1 . .
H H52 0.5386 0.7968 1.0196 0.012 Uiso calc U . R 1 . .
Cl Cl1 0.86711(5) 0.62724(3) 0.71842(3) 0.01548(10) Uani d . . . 1 . .
Cl Cl2 0.81612(6) 0.86180(4) 0.73749(3) 0.01804(11) Uani d . . . 1 . .
Cl Cl3 0.35610(6) 0.36732(3) 0.75861(3) 0.01926(11) Uani d . . . 1 . .
Cl Cl4 0.68452(6) 0.19415(4) 0.81786(3) 0.02286(12) Uani d . . . 1 . .
Cl Cl5 0.68225(6) 0.26577(4) 0.59285(3) 0.02062(11) Uani d . . . 1 . .
Cl Cl6 0.41805(7) 0.12582(4) 0.72323(3) 0.02343(12) Uani d . . . 1 . .
In In1 0.67286(2) 0.75729(2) 0.74681(2) 0.00917(3) Uani d . . . 1 . .
In In2 0.53330(2) 0.23949(2) 0.72053(2) 0.01375(4) Uani d . . . 1 . .
N N1 0.60604(18) 0.80124(11) 0.62352(10) 0.0099(3) Uani d . . . 1 . .
N N2 0.45227(18) 0.86434(11) 0.76679(10) 0.0110(3) Uani d . . . 1 . .
N N3 0.50116(18) 0.67354(11) 0.77335(10) 0.0113(3) Uani d . . . 1 . .
N N4 0.62284(18) 0.71731(11) 0.88526(10) 0.0095(3) Uani d . . . 1 . .
O O1 0.91635(17) 0.64296(11) 0.34903(9) 0.0213(4) Uani d . . . 1 . .
O O2 0.13643(16) 0.97000(10) 1.06432(8) 0.0149(3) Uani d . . . 1 . .
O O3 0.32087(16) 0.52437(10) 0.55690(9) 0.0166(3) Uani d . . . 1 . .
O O4 0.98196(16) 0.75659(10) 1.07948(9) 0.0173(3) Uani d . . . 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 . 1.428(3) ?
C2 O1 . 1.361(2) ?
C2 C3 . 1.392(3) ?
C2 C7 . 1.399(3) ?
C3 C4 . 1.393(3) ?
C4 C5 . 1.387(3) ?
C5 C6 . 1.393(3) ?
C5 N1 . 1.436(2) ?
C6 C7 . 1.379(3) ?
C8 N1 . 1.282(2) ?
C8 C9 . 1.472(3) ?
C8 C19 . 1.520(3) ?
C9 C10 . 1.380(3) ?
C9 C18 . 1.423(3) ?
C10 C11 . 1.414(3) ?
C11 C12 . 1.381(3) ?
C12 C13 . 1.418(3) ?
C13 C18 . 1.401(3) ?
C13 C14 . 1.420(3) ?
C14 C15 . 1.378(3) ?
C15 C16 . 1.413(3) ?
C16 C17 . 1.379(3) ?
C17 C18 . 1.420(3) ?
C17 C19 . 1.469(3) ?
C19 N2 . 1.280(2) ?
C20 C26 . 1.384(3) ?
C20 C21 . 1.398(3) ?
C20 N2 . 1.439(2) ?
C21 C22 . 1.382(3) ?
C22 C23 . 1.397(3) ?
C23 O2 . 1.364(2) ?
C23 C25 . 1.388(3) ?
C24 O2 . 1.432(2) ?
C25 C26 . 1.397(3) ?
C27 O3 . 1.425(3) ?
C28 O3 . 1.361(2) ?
C28 C33 . 1.391(3) ?
C28 C29 . 1.399(3) ?
C29 C30 . 1.378(3) ?
C30 C31 . 1.397(3) ?
C31 C32 . 1.386(3) ?
C31 N3 . 1.437(2) ?
C32 C33 . 1.391(3) ?
C34 N3 . 1.279(3) ?
C34 C35 . 1.467(3) ?
C34 C45 . 1.523(3) ?
C35 C36 . 1.387(3) ?
C35 C44 . 1.417(3) ?
C36 C37 . 1.413(3) ?
C37 C38 . 1.376(3) ?
C38 C39 . 1.413(3) ?
C39 C44 . 1.404(3) ?
C39 C40 . 1.421(3) ?
C40 C41 . 1.378(3) ?
C41 C42 . 1.417(3) ?
C42 C43 . 1.380(3) ?
C43 C44 . 1.423(3) ?
C43 C45 . 1.478(3) ?
C45 N4 . 1.291(3) ?
C46 C52 . 1.390(3) ?
C46 C47 . 1.399(3) ?
C46 N4 . 1.430(2) ?
C47 C48 . 1.380(3) ?
C48 C49 . 1.397(3) ?
C49 O4 . 1.356(2) ?
C49 C51 . 1.398(3) ?
C50 O4 . 1.438(3) ?
C51 C52 . 1.391(3) ?
Cl1 In1 . 2.4126(5) ?
Cl2 In1 . 2.3963(5) ?
Cl3 In2 . 2.3489(5) ?
Cl4 In2 . 2.3622(6) ?
Cl5 In2 . 2.3594(6) ?
Cl6 In2 . 2.3546(6) ?
In1 N1 . 2.2955(16) ?
In1 N3 . 2.3109(17) ?
In1 N4 . 2.3232(16) ?
In1 N2 . 2.3241(16) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 C2 C3 . . 124.53(19) ?
O1 C2 C7 . . 115.52(19) ?
C3 C2 C7 . . 119.95(18) ?
C2 C3 C4 . . 119.53(19) ?
C5 C4 C3 . . 120.01(19) ?
C4 C5 C6 . . 120.42(18) ?
C4 C5 N1 . . 118.75(18) ?
C6 C5 N1 . . 120.74(18) ?
C7 C6 C5 . . 119.61(19) ?
C6 C7 C2 . . 120.34(19) ?
N1 C8 C9 . . 134.27(18) ?
N1 C8 C19 . . 118.91(17) ?
C9 C8 C19 . . 106.81(16) ?
C10 C9 C18 . . 118.92(19) ?
C10 C9 C8 . . 135.24(19) ?
C18 C9 C8 . . 105.77(17) ?
C9 C10 C11 . . 118.75(19) ?
C12 C11 C10 . . 122.1(2) ?
C11 C12 C13 . . 120.61(19) ?
C18 C13 C12 . . 116.53(19) ?
C18 C13 C14 . . 116.68(19) ?
C12 C13 C14 . . 126.77(19) ?
C15 C14 C13 . . 120.4(2) ?
C14 C15 C16 . . 122.4(2) ?
C17 C16 C15 . . 118.3(2) ?
C16 C17 C18 . . 119.55(19) ?
C16 C17 C19 . . 134.88(19) ?
C18 C17 C19 . . 105.51(17) ?
C13 C18 C17 . . 122.61(19) ?
C13 C18 C9 . . 123.05(19) ?
C17 C18 C9 . . 114.32(18) ?
N2 C19 C17 . . 133.56(18) ?
N2 C19 C8 . . 118.93(17) ?
C17 C19 C8 . . 107.50(16) ?
C26 C20 C21 . . 120.11(18) ?
C26 C20 N2 . . 119.40(18) ?
C21 C20 N2 . . 120.46(18) ?
C22 C21 C20 . . 119.74(19) ?
C21 C22 C23 . . 120.5(2) ?
O2 C23 C25 . . 125.07(19) ?
O2 C23 C22 . . 115.28(18) ?
C25 C23 C22 . . 119.65(18) ?
C23 C25 C26 . . 120.01(19) ?
C20 C26 C25 . . 119.98(19) ?
O3 C28 C33 . . 124.96(19) ?
O3 C28 C29 . . 114.85(18) ?
C33 C28 C29 . . 120.19(19) ?
C30 C29 C28 . . 119.90(19) ?
C29 C30 C31 . . 120.01(19) ?
C32 C31 C30 . . 120.03(19) ?
C32 C31 N3 . . 121.89(18) ?
C30 C31 N3 . . 118.06(18) ?
C31 C32 C33 . . 120.24(19) ?
C28 C33 C32 . . 119.49(19) ?
N3 C34 C35 . . 132.64(18) ?
N3 C34 C45 . . 119.47(18) ?
C35 C34 C45 . . 107.57(16) ?
C36 C35 C44 . . 119.90(19) ?
C36 C35 C34 . . 134.10(19) ?
C44 C35 C34 . . 105.76(17) ?
C35 C36 C37 . . 117.8(2) ?
C38 C37 C36 . . 122.4(2) ?
C37 C38 C39 . . 120.8(2) ?
C44 C39 C38 . . 116.86(19) ?
C44 C39 C40 . . 116.72(19) ?
C38 C39 C40 . . 126.4(2) ?
C41 C40 C39 . . 120.03(19) ?
C40 C41 C42 . . 122.5(2) ?
C43 C42 C41 . . 118.99(19) ?
C42 C43 C44 . . 118.40(18) ?
C42 C43 C45 . . 135.65(19) ?
C44 C43 C45 . . 105.78(17) ?
C39 C44 C35 . . 122.19(19) ?
C39 C44 C43 . . 123.32(18) ?
C35 C44 C43 . . 114.32(18) ?
N4 C45 C43 . . 135.64(18) ?
N4 C45 C34 . . 117.39(17) ?
C43 C45 C34 . . 106.55(16) ?
C52 C46 C47 . . 120.14(18) ?
C52 C46 N4 . . 123.54(17) ?
C47 C46 N4 . . 116.32(17) ?
C48 C47 C46 . . 119.57(18) ?
C47 C48 C49 . . 120.47(19) ?
O4 C49 C48 . . 114.87(18) ?
O4 C49 C51 . . 125.31(18) ?
C48 C49 C51 . . 119.80(18) ?
C52 C51 C49 . . 119.56(18) ?
C46 C52 C51 . . 120.14(18) ?
N1 In1 N3 . . 85.77(6) ?
N1 In1 N4 . . 153.02(6) ?
N3 In1 N4 . . 72.68(6) ?
N1 In1 N2 . . 73.35(6) ?
N3 In1 N2 . . 78.37(6) ?
N4 In1 N2 . . 86.29(6) ?
N1 In1 Cl2 . . 97.51(4) ?
N3 In1 Cl2 . . 168.79(4) ?
N4 In1 Cl2 . . 100.86(4) ?
N2 In1 Cl2 . . 92.25(4) ?
N1 In1 Cl1 . . 100.73(4) ?
N3 In1 Cl1 . . 89.51(4) ?
N4 In1 Cl1 . . 95.24(4) ?
N2 In1 Cl1 . . 166.76(4) ?
Cl2 In1 Cl1 . . 100.345(19) ?
Cl3 In2 Cl6 . . 110.31(2) ?
Cl3 In2 Cl5 . . 111.87(2) ?
Cl6 In2 Cl5 . . 110.91(2) ?
Cl3 In2 Cl4 . . 107.07(2) ?
Cl6 In2 Cl4 . . 107.70(2) ?
Cl5 In2 Cl4 . . 108.81(2) ?
C8 N1 C5 . . 121.87(17) ?
C8 N1 In1 . . 114.80(13) ?
C5 N1 In1 . . 123.06(12) ?
C19 N2 C20 . . 120.97(17) ?
C19 N2 In1 . . 113.88(13) ?
C20 N2 In1 . . 124.85(12) ?
C34 N3 C31 . . 119.59(17) ?
C34 N3 In1 . . 114.81(13) ?
C31 N3 In1 . . 125.56(13) ?
C45 N4 C46 . . 123.95(17) ?
C45 N4 In1 . . 115.01(13) ?
C46 N4 In1 . . 121.04(12) ?
C2 O1 C1 . . 117.51(18) ?
C23 O2 C24 . . 117.19(16) ?
C28 O3 C27 . . 117.34(16) ?
C49 O4 C50 . . 117.93(17) ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetonitrile, diethyl ether'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1439071'
_audit_update_record             
;
2015-11-26 deposited with the CCDC.
2016-04-15 downloaded from the CCDC.
;
_chemical_name_systematic        (p-BrAr-BIAN)InCl3
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H28 Br2 Cl3 In N4 O2'
_chemical_formula_iupac          ?
_chemical_formula_weight         857.55

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.4120(10)
_cell_length_b                   19.7758(15)
_cell_length_c                   13.5227(10)
_cell_angle_alpha                90
_cell_angle_beta                 107.797(3)
_cell_angle_gamma                90
_cell_volume                     3160.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9224
_cell_measurement_theta_min      2.2059
_cell_measurement_theta_max      28.4246
_cell_measurement_temperature    103.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1688

_exptl_absorpt_coefficient_mu    3.565
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_T_max  0.81

_exptl_special_details           
;
;

_diffrn_ambient_temperature      103.(2)

_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            77866
_diffrn_reflns_av_R_equivalents  0.0980
_diffrn_reflns_av_unetI/netI     0.0644
_diffrn_reflns_theta_min         1.72
_diffrn_reflns_theta_max         31.11
_diffrn_reflns_theta_full        31.11
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17

_refine_special_details          
;
;

_reflns_number_total             10081
_reflns_number_gt                7395
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.1151
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_number_reflns         10081
_refine_ls_number_parameters     383
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0576P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.246
_refine_diff_density_min         -0.961
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT (Bruker AXS Inc., 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2014)'
_computing_publication_material  'APEX2 (Bruker AXS Inc., 2014)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
In In1 0.30344(2) 0.46191(2) 0.25841(2) 0.01103(6) Uani d . . . 1 . .
Br Br1 0.31636(3) 0.79171(2) 0.58595(3) 0.02439(10) Uani d . . . 1 . .
Br Br2 -0.04676(3) 0.20748(2) -0.12968(3) 0.01929(9) Uani d . . . 1 . .
C C1 0.2264(3) 0.59145(15) 0.3972(3) 0.0116(6) Uani d . . . 1 . .
C C2 0.3051(3) 0.58992(16) 0.4945(3) 0.0131(6) Uani d . . . 1 . .
H H2 0.3411 0.5486 0.5216 0.016 Uiso calc U . R 1 . .
C C3 0.3322(3) 0.64951(17) 0.5533(3) 0.0156(7) Uani d . . . 1 . .
H H3 0.3845 0.6487 0.6213 0.019 Uiso calc U . R 1 . .
C C4 0.2811(3) 0.70959(16) 0.5105(3) 0.0153(7) Uani d . . . 1 . .
C C5 0.2050(3) 0.71161(16) 0.4113(3) 0.0174(7) Uani d . . . 1 . .
H H5 0.173 0.7534 0.382 0.021 Uiso calc U . R 1 . .
C C6 0.1761(3) 0.65221(17) 0.3552(3) 0.0182(7) Uani d . . . 1 . .
H H6 0.122 0.6529 0.2881 0.022 Uiso calc U . R 1 . .
C C7 0.0919(3) 0.50879(15) 0.3196(3) 0.0115(6) Uani d . . . 1 . .
C C8 -0.0036(3) 0.52872(15) 0.3557(3) 0.0120(6) Uani d . . . 1 . .
C C9 -0.0161(3) 0.57178(16) 0.4314(3) 0.0142(7) Uani d . . . 1 . .
H H9 0.046 0.5978 0.4723 0.017 Uiso calc U . R 1 . .
C C10 -0.1238(3) 0.57636(17) 0.4469(3) 0.0171(7) Uani d . . . 1 . .
H H10 -0.133 0.6051 0.4999 0.02 Uiso calc U . R 1 . .
C C11 -0.2157(3) 0.54008(17) 0.3868(3) 0.0193(7) Uani d . . . 1 . .
H H11 -0.2873 0.546 0.3973 0.023 Uiso calc U . R 1 . .
C C12 -0.2051(3) 0.49453(17) 0.3105(3) 0.0149(7) Uani d . . . 1 . .
C C13 -0.2916(3) 0.45258(18) 0.2441(3) 0.0190(7) Uani d . . . 1 . .
H H13 -0.3662 0.4538 0.2492 0.023 Uiso calc U . R 1 . .
C C14 -0.2667(3) 0.41078(18) 0.1732(3) 0.0201(8) Uani d . . . 1 . .
H H14 -0.3258 0.3841 0.1294 0.024 Uiso calc U . R 1 . .
C C15 -0.1576(3) 0.40542(17) 0.1619(3) 0.0174(7) Uani d . . . 1 . .
H H15 -0.1435 0.3759 0.1119 0.021 Uiso calc U . R 1 . .
C C16 -0.0719(3) 0.44437(16) 0.2258(3) 0.0132(6) Uani d . . . 1 . .
C C17 0.0505(3) 0.45162(15) 0.2420(3) 0.0115(6) Uani d . . . 1 . .
C C18 -0.0971(3) 0.48943(16) 0.2976(3) 0.0124(6) Uani d . . . 1 . .
C C19 0.0824(3) 0.37004(16) 0.1283(3) 0.0125(6) Uani d . . . 1 . .
C C20 0.0305(4) 0.38954(18) 0.0266(3) 0.0244(9) Uani d . . . 1 . .
H H20 0.021 0.4362 0.0092 0.029 Uiso calc U . R 1 . .
C C21 -0.0077(4) 0.34079(18) -0.0499(3) 0.0250(9) Uani d . . . 1 . .
H H21 -0.0427 0.3538 -0.12 0.03 Uiso calc U . R 1 . .
C C22 0.0057(3) 0.27350(17) -0.0233(3) 0.0160(7) Uani d . . . 1 . .
C C23 0.0565(3) 0.25332(17) 0.0786(3) 0.0163(7) Uani d . . . 1 . .
H H23 0.0641 0.2066 0.0958 0.02 Uiso calc U . R 1 . .
C C24 0.0961(3) 0.30204(16) 0.1553(3) 0.0151(7) Uani d . . . 1 . .
H H24 0.1321 0.289 0.2252 0.018 Uiso calc U . R 1 . .
C C25 0.3895(3) 0.37231(16) 0.4583(3) 0.0129(6) Uani d . . . 1 . .
H H25 0.4587 0.396 0.4691 0.015 Uiso calc U . R 1 . .
C C26 0.2905(3) 0.27427(19) 0.4957(3) 0.0242(8) Uani d . . . 1 . .
H H26A 0.233 0.2878 0.4313 0.036 Uiso calc U . R 1 . .
H H26B 0.2606 0.2803 0.5543 0.036 Uiso calc U . R 1 . .
H H26C 0.3103 0.2267 0.491 0.036 Uiso calc U . R 1 . .
C C27 0.4938(3) 0.29210(18) 0.5888(3) 0.0215(8) Uani d . . . 1 . .
H H27A 0.5185 0.2498 0.5648 0.032 Uiso calc U . R 1 . .
H H27B 0.4783 0.2843 0.6547 0.032 Uiso calc U . R 1 . .
H H27C 0.5534 0.3262 0.5987 0.032 Uiso calc U . R 1 . .
C C28 0.7813(4) 0.6169(2) 0.1381(4) 0.0337(10) Uani d . . . 1 . .
H H28 0.801 0.5877 0.0904 0.04 Uiso calc U . R 1 . .
C C29 0.6376(5) 0.6630(3) 0.2052(4) 0.0455(13) Uani d . . . 1 . .
H H29A 0.7045 0.6803 0.2586 0.068 Uiso calc U . R 1 . .
H H29B 0.5907 0.6371 0.2384 0.068 Uiso calc U . R 1 . .
H H29C 0.5937 0.701 0.1666 0.068 Uiso calc U . R 1 . .
C C30 0.5859(4) 0.5802(2) 0.0609(4) 0.0416(12) Uani d . . . 1 . .
H H30A 0.6212 0.5523 0.0194 0.062 Uiso calc U . R 1 . .
H H30B 0.5303 0.6106 0.015 0.062 Uiso calc U . R 1 . .
H H30C 0.548 0.5509 0.0984 0.062 Uiso calc U . R 1 . .
Cl Cl1 0.24689(8) 0.53177(4) 0.10287(7) 0.02184(19) Uani d . . . 1 . .
Cl Cl2 0.47447(7) 0.52168(4) 0.35119(7) 0.01695(17) Uani d . . . 1 . .
Cl Cl3 0.38864(8) 0.36640(4) 0.19747(7) 0.02228(19) Uani d . . . 1 . .
N N1 0.1934(2) 0.53031(13) 0.3371(2) 0.0119(5) Uani d . . . 1 . .
N N2 0.1213(2) 0.42081(13) 0.2063(2) 0.0121(5) Uani d . . . 1 . .
N N3 0.3911(2) 0.31601(14) 0.5114(2) 0.0133(6) Uani d . . . 1 . .
N N4 0.6725(3) 0.61996(18) 0.1351(3) 0.0323(8) Uani d . . . 1 . .
O O1 0.3022(2) 0.39628(11) 0.39468(19) 0.0155(5) Uani d . . . 1 . .
O O2 0.8585(3) 0.65026(18) 0.2004(3) 0.0434(8) Uani d . . . 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
In1 O1 . 2.258(2) ?
In1 N2 . 2.301(3) ?
In1 N1 . 2.390(3) ?
In1 Cl2 . 2.4185(9) ?
In1 Cl3 . 2.4286(9) ?
In1 Cl1 . 2.4336(9) ?
Br1 C4 . 1.897(3) ?
Br2 C22 . 1.904(3) ?
C1 C2 . 1.378(5) ?
C1 C6 . 1.393(5) ?
C1 N1 . 1.445(4) ?
C2 C3 . 1.404(5) ?
C3 C4 . 1.387(5) ?
C4 C5 . 1.385(5) ?
C5 C6 . 1.385(5) ?
C7 N1 . 1.282(4) ?
C7 C8 . 1.466(5) ?
C7 C17 . 1.521(4) ?
C8 C9 . 1.377(4) ?
C8 C18 . 1.418(5) ?
C9 C10 . 1.418(5) ?
C10 C11 . 1.381(5) ?
C11 C12 . 1.406(5) ?
C12 C18 . 1.407(5) ?
C12 C13 . 1.435(5) ?
C13 C14 . 1.371(5) ?
C14 C15 . 1.412(5) ?
C15 C16 . 1.382(5) ?
C16 C18 . 1.421(5) ?
C16 C17 . 1.474(5) ?
C17 N2 . 1.279(4) ?
C19 C20 . 1.383(5) ?
C19 C24 . 1.390(4) ?
C19 N2 . 1.429(4) ?
C20 C21 . 1.387(5) ?
C21 C22 . 1.375(5) ?
C22 C23 . 1.387(5) ?
C23 C24 . 1.390(5) ?
C25 O1 . 1.253(4) ?
C25 N3 . 1.322(4) ?
C26 N3 . 1.457(4) ?
C27 N3 . 1.458(4) ?
C28 O2 . 1.254(6) ?
C28 N4 . 1.340(6) ?
C29 N4 . 1.436(6) ?
C30 N4 . 1.457(6) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 In1 N2 . . 78.20(9) ?
O1 In1 N1 . . 79.31(9) ?
N2 In1 N1 . . 72.22(9) ?
O1 In1 Cl2 . . 94.67(6) ?
N2 In1 Cl2 . . 162.92(7) ?
N1 In1 Cl2 . . 91.31(7) ?
O1 In1 Cl3 . . 86.69(6) ?
N2 In1 Cl3 . . 96.34(7) ?
N1 In1 Cl3 . . 163.40(7) ?
Cl2 In1 Cl3 . . 98.74(3) ?
O1 In1 Cl1 . . 163.65(6) ?
N2 In1 Cl1 . . 86.51(7) ?
N1 In1 Cl1 . . 90.60(7) ?
Cl2 In1 Cl1 . . 98.43(3) ?
Cl3 In1 Cl1 . . 100.88(3) ?
C2 C1 C6 . . 120.5(3) ?
C2 C1 N1 . . 121.0(3) ?
C6 C1 N1 . . 118.6(3) ?
C1 C2 C3 . . 120.0(3) ?
C4 C3 C2 . . 118.8(3) ?
C5 C4 C3 . . 121.2(3) ?
C5 C4 Br1 . . 118.3(2) ?
C3 C4 Br1 . . 120.5(3) ?
C6 C5 C4 . . 119.5(3) ?
C5 C6 C1 . . 120.0(3) ?
N1 C7 C8 . . 134.3(3) ?
N1 C7 C17 . . 118.7(3) ?
C8 C7 C17 . . 107.0(3) ?
C9 C8 C18 . . 119.5(3) ?
C9 C8 C7 . . 134.4(3) ?
C18 C8 C7 . . 106.0(3) ?
C8 C9 C10 . . 118.3(3) ?
C11 C10 C9 . . 121.8(3) ?
C10 C11 C12 . . 121.2(3) ?
C11 C12 C18 . . 116.3(3) ?
C11 C12 C13 . . 127.6(3) ?
C18 C12 C13 . . 116.1(3) ?
C14 C13 C12 . . 120.0(3) ?
C13 C14 C15 . . 123.3(3) ?
C16 C15 C14 . . 118.1(3) ?
C15 C16 C18 . . 119.3(3) ?
C15 C16 C17 . . 135.1(3) ?
C18 C16 C17 . . 105.6(3) ?
N2 C17 C16 . . 133.9(3) ?
N2 C17 C7 . . 119.2(3) ?
C16 C17 C7 . . 106.9(3) ?
C12 C18 C8 . . 122.8(3) ?
C12 C18 C16 . . 123.1(3) ?
C8 C18 C16 . . 114.1(3) ?
C20 C19 C24 . . 120.9(3) ?
C20 C19 N2 . . 119.2(3) ?
C24 C19 N2 . . 120.0(3) ?
C19 C20 C21 . . 119.8(3) ?
C22 C21 C20 . . 119.4(3) ?
C21 C22 C23 . . 121.3(3) ?
C21 C22 Br2 . . 118.7(3) ?
C23 C22 Br2 . . 120.0(3) ?
C22 C23 C24 . . 119.4(3) ?
C19 C24 C23 . . 119.2(3) ?
O1 C25 N3 . . 123.9(3) ?
O2 C28 N4 . . 123.6(5) ?
C7 N1 C1 . . 118.4(3) ?
C7 N1 In1 . . 113.1(2) ?
C1 N1 In1 . . 128.5(2) ?
C17 N2 C19 . . 119.8(3) ?
C17 N2 In1 . . 116.1(2) ?
C19 N2 In1 . . 123.5(2) ?
C25 N3 C26 . . 121.9(3) ?
C25 N3 C27 . . 121.8(3) ?
C26 N3 C27 . . 116.3(3) ?
C28 N4 C29 . . 120.8(4) ?
C28 N4 C30 . . 121.4(4) ?
C29 N4 C30 . . 117.8(4) ?
C25 O1 In1 . . 123.9(2) ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: N,N-dimethylformamide, diethyl ether'
_chemical_properties_physical    Moisture-sensitive
