# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20121130Saito
#TrackingRef 'Saito_In.cif'


#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C24 H72 Cl2 In2 N4 Si8'
_chemical_formula_moiety         'C24 H72 Cl2 In2 N4 Si8'
_chemical_formula_weight         942.09
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   8.9952(11)
_cell_length_b                   12.0644(13)
_cell_length_c                   23.969(3)
_cell_angle_alpha                80.621(3)
_cell_angle_beta                 83.006(4)
_cell_angle_gamma                66.929(3)
_cell_volume                     2356.3(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7277
_cell_measurement_theta_min      4.57
_cell_measurement_theta_max      27.54
_cell_measurement_temperature    193
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.326
_exptl_crystal_size_mid          0.319
_exptl_crystal_size_min          0.239
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976.00
_exptl_absorpt_coefficient_mu    1.314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.392
_exptl_absorpt_correction_T_max  0.731

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      193
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            23192
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       29
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
Refinement was performed using all reflections. The weighted
R-factor (wR) and goodness of fit (S) are based on F².
R-factor (gt) are based on F. The threshold expression of
F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             10776
_reflns_number_gt                9352
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0497
_refine_ls_wR_factor_ref         0.1186
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         10776
_refine_ls_number_parameters     362
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0357P)²+6.8447P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         3.080
_refine_diff_density_min         -1.490
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0065(5)

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
In In -0.7276 1.3100
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
In1 In 0.58951(3) 0.79514(3) 0.322851(12) 0.02675(9) Uani 1.0 2 d . . .
In2 In 0.77489(3) 0.85369(2) 0.174484(12) 0.02512(9) Uani 1.0 2 d . . .
Cl3 Cl 0.50158(12) 0.86166(10) 0.22163(4) 0.0321(3) Uani 1.0 2 d . . .
Cl4 Cl 0.85053(13) 0.81371(11) 0.27709(4) 0.0355(3) Uani 1.0 2 d . . .
Si5 Si 0.63329(16) 1.15709(11) 0.13132(6) 0.0375(3) Uani 1.0 2 d . . .
Si6 Si 0.72467(16) 0.71944(11) 0.07990(5) 0.0328(3) Uani 1.0 2 d . . .
Si7 Si 0.62984(16) 0.50458(11) 0.32883(5) 0.0336(3) Uani 1.0 2 d . . .
Si8 Si 1.01395(15) 0.56823(11) 0.14854(6) 0.0359(3) Uani 1.0 2 d . . .
Si9 Si 0.80908(16) 0.57848(13) 0.40669(5) 0.0383(3) Uani 1.0 2 d . . .
Si10 Si 0.25920(17) 0.90469(14) 0.39454(7) 0.0443(4) Uani 1.0 2 d . . .
Si11 Si 0.4431(2) 1.07323(13) 0.36222(7) 0.0481(4) Uani 1.0 2 d . . .
Si16 Si 0.98631(18) 1.01452(14) 0.15197(8) 0.0516(4) Uani 1.0 2 d . . .
N12 N 0.7902(5) 1.0199(3) 0.14924(15) 0.0298(8) Uani 1.0 2 d . . .
N13 N 0.4257(5) 0.9347(4) 0.36294(16) 0.0348(8) Uani 1.0 2 d . . .
N14 N 0.8468(5) 0.7021(4) 0.13422(15) 0.0302(8) Uani 1.0 2 d . . .
N15 N 0.6776(5) 0.6142(4) 0.35323(14) 0.0295(8) Uani 1.0 2 d . . .
C17 C 1.0454(10) 1.1065(8) 0.0915(4) 0.089(3) Uani 1.0 2 d . . .
C18 C 1.0110(9) 1.0703(7) 0.2186(3) 0.0674(18) Uani 1.0 2 d . . .
C19 C 1.1316(7) 0.8538(6) 0.1562(4) 0.0599(17) Uani 1.0 2 d . . .
C20 C 1.1924(7) 0.5590(6) 0.0969(3) 0.0624(17) Uani 1.0 2 d . . .
C21 C 1.0837(7) 0.5487(5) 0.2206(3) 0.0551(15) Uani 1.0 2 d . . .
C22 C 0.9645(7) 0.4334(5) 0.1451(3) 0.0470(12) Uani 1.0 2 d . . .
C23 C 0.5809(7) 0.6397(6) 0.0986(3) 0.0476(13) Uani 1.0 2 d . . .
C24 C 0.8450(9) 0.6651(7) 0.0138(3) 0.0653(18) Uani 1.0 2 d . . .
C25 C 0.5983(8) 0.8841(5) 0.0623(3) 0.0572(16) Uani 1.0 2 d . . .
C26 C 0.8136(7) 0.3653(5) 0.3187(3) 0.0535(14) Uani 1.0 2 d . . .
C27 C 0.4863(8) 0.4540(6) 0.3799(3) 0.0593(16) Uani 1.0 2 d . . .
C28 C 0.5377(8) 0.5618(5) 0.2593(3) 0.0514(14) Uani 1.0 2 d . . .
C29 C 0.7898(8) 0.7217(6) 0.4333(3) 0.0565(15) Uani 1.0 2 d . . .
C30 C 0.7655(10) 0.4742(8) 0.4669(3) 0.075(2) Uani 1.0 2 d . . .
C31 C 1.0266(7) 0.5068(6) 0.3822(3) 0.0563(15) Uani 1.0 2 d . . .
C32 C 0.2218(8) 0.8008(7) 0.3537(4) 0.0654(18) Uani 1.0 2 d . . .
C33 C 0.0695(8) 1.0419(8) 0.3966(5) 0.094(3) Uani 1.0 2 d . . .
C34 C 0.2966(12) 0.8257(10) 0.4681(4) 0.105(4) Uani 1.0 2 d . . .
C35 C 0.4295(7) 1.1504(5) 0.1443(3) 0.0552(15) Uani 1.0 2 d . . .
C36 C 0.6318(9) 1.2777(6) 0.1718(4) 0.076(3) Uani 1.0 2 d . . .
C37 C 0.6486(10) 1.2118(8) 0.0538(4) 0.083(3) Uani 1.0 2 d . . .
C38 C 0.3111(13) 1.1931(7) 0.3096(4) 0.095(3) Uani 1.0 2 d . . .
C39 C 0.3772(14) 1.1318(8) 0.4310(4) 0.103(4) Uani 1.0 2 d . . .
C40 C 0.6511(12) 1.0648(9) 0.3439(8) 0.187(8) Uani 1.0 2 d . . .
H17A H 0.9697 1.1913 0.0904 0.1073 Uiso 1.0 2 calc R . .
H17B H 1.0429 1.0760 0.0563 0.1073 Uiso 1.0 2 calc R . .
H17C H 1.1551 1.1015 0.0954 0.1073 Uiso 1.0 2 calc R . .
H18A H 0.9889 1.0190 0.2520 0.0809 Uiso 1.0 2 calc R . .
H18B H 0.9348 1.1545 0.2198 0.0809 Uiso 1.0 2 calc R . .
H18C H 1.1220 1.0664 0.2183 0.0809 Uiso 1.0 2 calc R . .
H19A H 1.1261 0.8191 0.1226 0.0719 Uiso 1.0 2 calc R . .
H19B H 1.1037 0.8071 0.1903 0.0719 Uiso 1.0 2 calc R . .
H19C H 1.2416 0.8505 0.1578 0.0719 Uiso 1.0 2 calc R . .
H20A H 1.2243 0.6271 0.0988 0.0749 Uiso 1.0 2 calc R . .
H20B H 1.1626 0.5628 0.0584 0.0749 Uiso 1.0 2 calc R . .
H20C H 1.2831 0.4822 0.1065 0.0749 Uiso 1.0 2 calc R . .
H21A H 0.9960 0.5471 0.2490 0.0661 Uiso 1.0 2 calc R . .
H21B H 1.1142 0.6165 0.2245 0.0661 Uiso 1.0 2 calc R . .
H21C H 1.1775 0.4722 0.2264 0.0661 Uiso 1.0 2 calc R . .
H22A H 0.9317 0.4370 0.1072 0.0565 Uiso 1.0 2 calc R . .
H22B H 0.8757 0.4332 0.1732 0.0565 Uiso 1.0 2 calc R . .
H22C H 1.0600 0.3591 0.1533 0.0565 Uiso 1.0 2 calc R . .
H23A H 0.5091 0.6717 0.1313 0.0571 Uiso 1.0 2 calc R . .
H23B H 0.6421 0.5524 0.1081 0.0571 Uiso 1.0 2 calc R . .
H23C H 0.5162 0.6530 0.0663 0.0571 Uiso 1.0 2 calc R . .
H24A H 0.9135 0.5788 0.0215 0.0783 Uiso 1.0 2 calc R . .
H24B H 0.9134 0.7117 0.0005 0.0783 Uiso 1.0 2 calc R . .
H24C H 0.7714 0.6762 -0.0155 0.0783 Uiso 1.0 2 calc R . .
H25A H 0.6690 0.9291 0.0499 0.0687 Uiso 1.0 2 calc R . .
H25B H 0.5309 0.9151 0.0960 0.0687 Uiso 1.0 2 calc R . .
H25C H 0.5288 0.8943 0.0319 0.0687 Uiso 1.0 2 calc R . .
H26A H 0.8643 0.3312 0.3549 0.0642 Uiso 1.0 2 calc R . .
H26B H 0.8905 0.3862 0.2908 0.0642 Uiso 1.0 2 calc R . .
H26C H 0.7827 0.3054 0.3053 0.0642 Uiso 1.0 2 calc R . .
H27A H 0.3855 0.5239 0.3856 0.0711 Uiso 1.0 2 calc R . .
H27B H 0.5358 0.4190 0.4162 0.0711 Uiso 1.0 2 calc R . .
H27C H 0.4627 0.3927 0.3644 0.0711 Uiso 1.0 2 calc R . .
H28A H 0.6144 0.5831 0.2314 0.0617 Uiso 1.0 2 calc R . .
H28B H 0.4385 0.6340 0.2632 0.0617 Uiso 1.0 2 calc R . .
H28C H 0.5116 0.4986 0.2467 0.0617 Uiso 1.0 2 calc R . .
H29A H 0.6782 0.7630 0.4480 0.0678 Uiso 1.0 2 calc R . .
H29B H 0.8176 0.7752 0.4021 0.0678 Uiso 1.0 2 calc R . .
H29C H 0.8636 0.7017 0.4635 0.0678 Uiso 1.0 2 calc R . .
H30A H 0.8037 0.3922 0.4560 0.0905 Uiso 1.0 2 calc R . .
H30B H 0.6486 0.5031 0.4765 0.0905 Uiso 1.0 2 calc R . .
H30C H 0.8215 0.4725 0.4999 0.0905 Uiso 1.0 2 calc R . .
H31A H 1.0544 0.5625 0.3522 0.0676 Uiso 1.0 2 calc R . .
H31B H 1.0451 0.4311 0.3673 0.0676 Uiso 1.0 2 calc R . .
H31C H 1.0944 0.4892 0.4140 0.0676 Uiso 1.0 2 calc R . .
H32A H 0.3171 0.7247 0.3537 0.0784 Uiso 1.0 2 calc R . .
H32B H 0.2009 0.8392 0.3146 0.0784 Uiso 1.0 2 calc R . .
H32C H 0.1276 0.7836 0.3713 0.0784 Uiso 1.0 2 calc R . .
H33A H 0.0435 1.0805 0.3578 0.1122 Uiso 1.0 2 calc R . .
H33B H 0.0840 1.0992 0.4180 0.1122 Uiso 1.0 2 calc R . .
H33C H -0.0192 1.0185 0.4150 0.1122 Uiso 1.0 2 calc R . .
H34A H 0.3172 0.8776 0.4911 0.1260 Uiso 1.0 2 calc R . .
H34B H 0.3910 0.7492 0.4672 0.1260 Uiso 1.0 2 calc R . .
H34C H 0.2014 0.8087 0.4845 0.1260 Uiso 1.0 2 calc R . .
H35A H 0.4109 1.1253 0.1847 0.0662 Uiso 1.0 2 calc R . .
H35B H 0.4226 1.0916 0.1220 0.0662 Uiso 1.0 2 calc R . .
H35C H 0.3473 1.2308 0.1331 0.0662 Uiso 1.0 2 calc R . .
H36A H 0.7345 1.2894 0.1635 0.0914 Uiso 1.0 2 calc R . .
H36B H 0.6181 1.2529 0.2125 0.0914 Uiso 1.0 2 calc R . .
H36C H 0.5421 1.3540 0.1606 0.0914 Uiso 1.0 2 calc R . .
H37A H 0.6439 1.1518 0.0317 0.1001 Uiso 1.0 2 calc R . .
H37B H 0.7514 1.2229 0.0441 0.1001 Uiso 1.0 2 calc R . .
H37C H 0.5585 1.2894 0.0450 0.1001 Uiso 1.0 2 calc R . .
H38A H 0.1977 1.2039 0.3195 0.1134 Uiso 1.0 2 calc R . .
H38B H 0.3428 1.1682 0.2716 0.1134 Uiso 1.0 2 calc R . .
H38C H 0.3239 1.2699 0.3103 0.1134 Uiso 1.0 2 calc R . .
H39A H 0.4437 1.0734 0.4604 0.1242 Uiso 1.0 2 calc R . .
H39B H 0.2633 1.1435 0.4404 0.1242 Uiso 1.0 2 calc R . .
H39C H 0.3895 1.2095 0.4290 0.1242 Uiso 1.0 2 calc R . .
H40A H 0.6851 1.0421 0.3056 0.2245 Uiso 1.0 2 calc R . .
H40B H 0.7236 1.0036 0.3710 0.2245 Uiso 1.0 2 calc R . .
H40C H 0.6556 1.1441 0.3455 0.2245 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
In1 Cl3 2.5478(11) yes . .
In1 Cl4 2.5438(13) yes . .
In1 N13 2.042(4) yes . .
In1 N15 2.047(4) yes . .
In2 Cl3 2.5503(12) yes . .
In2 Cl4 2.5510(11) yes . .
In2 N12 2.051(4) yes . .
In2 N14 2.047(4) yes . .
Si5 N12 1.733(4) yes . .
Si5 C35 1.853(7) yes . .
Si5 C36 1.871(9) yes . .
Si5 C37 1.876(8) yes . .
Si6 N14 1.739(5) yes . .
Si6 C23 1.869(8) yes . .
Si6 C24 1.866(6) yes . .
Si6 C25 1.868(6) yes . .
Si7 N15 1.742(5) yes . .
Si7 C26 1.863(5) yes . .
Si7 C27 1.877(7) yes . .
Si7 C28 1.858(6) yes . .
Si8 N14 1.740(4) yes . .
Si8 C20 1.882(7) yes . .
Si8 C21 1.857(7) yes . .
Si8 C22 1.863(7) yes . .
Si9 N15 1.737(4) yes . .
Si9 C29 1.875(8) yes . .
Si9 C30 1.865(8) yes . .
Si9 C31 1.865(6) yes . .
Si10 N13 1.734(5) yes . .
Si10 C32 1.859(9) yes . .
Si10 C33 1.857(7) yes . .
Si10 C34 1.864(9) yes . .
Si11 N13 1.735(5) yes . .
Si11 C38 1.875(8) yes . .
Si11 C39 1.840(9) yes . .
Si11 C40 1.835(11) yes . .
Si16 N12 1.749(5) yes . .
Si16 C17 1.835(10) yes . .
Si16 C18 1.899(9) yes . .
Si16 C19 1.860(6) yes . .
C17 H17A 0.980 no . .
C17 H17B 0.980 no . .
C17 H17C 0.980 no . .
C18 H18A 0.980 no . .
C18 H18B 0.980 no . .
C18 H18C 0.980 no . .
C19 H19A 0.980 no . .
C19 H19B 0.980 no . .
C19 H19C 0.980 no . .
C20 H20A 0.980 no . .
C20 H20B 0.980 no . .
C20 H20C 0.980 no . .
C21 H21A 0.980 no . .
C21 H21B 0.980 no . .
C21 H21C 0.980 no . .
C22 H22A 0.980 no . .
C22 H22B 0.980 no . .
C22 H22C 0.980 no . .
C23 H23A 0.980 no . .
C23 H23B 0.980 no . .
C23 H23C 0.980 no . .
C24 H24A 0.980 no . .
C24 H24B 0.980 no . .
C24 H24C 0.980 no . .
C25 H25A 0.980 no . .
C25 H25B 0.980 no . .
C25 H25C 0.980 no . .
C26 H26A 0.980 no . .
C26 H26B 0.980 no . .
C26 H26C 0.980 no . .
C27 H27A 0.980 no . .
C27 H27B 0.980 no . .
C27 H27C 0.980 no . .
C28 H28A 0.980 no . .
C28 H28B 0.980 no . .
C28 H28C 0.980 no . .
C29 H29A 0.980 no . .
C29 H29B 0.980 no . .
C29 H29C 0.980 no . .
C30 H30A 0.980 no . .
C30 H30B 0.980 no . .
C30 H30C 0.980 no . .
C31 H31A 0.980 no . .
C31 H31B 0.980 no . .
C31 H31C 0.980 no . .
C32 H32A 0.980 no . .
C32 H32B 0.980 no . .
C32 H32C 0.980 no . .
C33 H33A 0.980 no . .
C33 H33B 0.980 no . .
C33 H33C 0.980 no . .
C34 H34A 0.980 no . .
C34 H34B 0.980 no . .
C34 H34C 0.980 no . .
C35 H35A 0.980 no . .
C35 H35B 0.980 no . .
C35 H35C 0.980 no . .
C36 H36A 0.980 no . .
C36 H36B 0.980 no . .
C36 H36C 0.980 no . .
C37 H37A 0.980 no . .
C37 H37B 0.980 no . .
C37 H37C 0.980 no . .
C38 H38A 0.980 no . .
C38 H38B 0.980 no . .
C38 H38C 0.980 no . .
C39 H39A 0.980 no . .
C39 H39B 0.980 no . .
C39 H39C 0.980 no . .
C40 H40A 0.980 no . .
C40 H40B 0.980 no . .
C40 H40C 0.980 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Cl3 In1 Cl4 82.62(4) yes . . .
Cl3 In1 N13 101.05(11) yes . . .
Cl3 In1 N15 119.46(12) yes . . .
Cl4 In1 N13 118.91(14) yes . . .
Cl4 In1 N15 99.36(11) yes . . .
N13 In1 N15 127.44(14) yes . . .
Cl3 In2 Cl4 82.43(4) yes . . .
Cl3 In2 N12 114.83(10) yes . . .
Cl3 In2 N14 101.53(12) yes . . .
Cl4 In2 N12 101.14(12) yes . . .
Cl4 In2 N14 114.97(10) yes . . .
N12 In2 N14 131.53(15) yes . . .
In1 Cl3 In2 97.03(4) yes . . .
In1 Cl4 In2 97.12(5) yes . . .
N12 Si5 C35 114.0(3) yes . . .
N12 Si5 C36 111.5(3) yes . . .
N12 Si5 C37 111.4(3) yes . . .
C35 Si5 C36 106.6(4) yes . . .
C35 Si5 C37 104.8(4) yes . . .
C36 Si5 C37 108.0(4) yes . . .
N14 Si6 C23 113.7(3) yes . . .
N14 Si6 C24 112.4(3) yes . . .
N14 Si6 C25 109.1(3) yes . . .
C23 Si6 C24 107.5(4) yes . . .
C23 Si6 C25 106.5(3) yes . . .
C24 Si6 C25 107.3(3) yes . . .
N15 Si7 C26 111.4(3) yes . . .
N15 Si7 C27 112.3(3) yes . . .
N15 Si7 C28 111.2(3) yes . . .
C26 Si7 C27 106.2(3) yes . . .
C26 Si7 C28 107.1(3) yes . . .
C27 Si7 C28 108.4(4) yes . . .
N14 Si8 C20 112.4(3) yes . . .
N14 Si8 C21 112.9(3) yes . . .
N14 Si8 C22 110.8(3) yes . . .
C20 Si8 C21 107.0(3) yes . . .
C20 Si8 C22 107.5(3) yes . . .
C21 Si8 C22 105.9(3) yes . . .
N15 Si9 C29 109.3(3) yes . . .
N15 Si9 C30 111.7(4) yes . . .
N15 Si9 C31 113.3(3) yes . . .
C29 Si9 C30 109.2(4) yes . . .
C29 Si9 C31 105.2(4) yes . . .
C30 Si9 C31 107.9(3) yes . . .
N13 Si10 C32 109.0(3) yes . . .
N13 Si10 C33 113.8(4) yes . . .
N13 Si10 C34 111.3(4) yes . . .
C32 Si10 C33 106.9(4) yes . . .
C32 Si10 C34 106.8(5) yes . . .
C33 Si10 C34 108.7(5) yes . . .
N13 Si11 C38 111.6(4) yes . . .
N13 Si11 C39 112.0(4) yes . . .
N13 Si11 C40 112.5(4) yes . . .
C38 Si11 C39 105.5(4) yes . . .
C38 Si11 C40 107.1(6) yes . . .
C39 Si11 C40 107.8(7) yes . . .
N12 Si16 C17 112.8(4) yes . . .
N12 Si16 C18 112.1(3) yes . . .
N12 Si16 C19 109.3(3) yes . . .
C17 Si16 C18 107.0(5) yes . . .
C17 Si16 C19 110.3(4) yes . . .
C18 Si16 C19 105.0(4) yes . . .
In2 N12 Si5 127.4(3) yes . . .
In2 N12 Si16 112.20(16) yes . . .
Si5 N12 Si16 120.3(3) yes . . .
In1 N13 Si10 113.0(3) yes . . .
In1 N13 Si11 124.1(3) yes . . .
Si10 N13 Si11 122.8(3) yes . . .
In2 N14 Si6 112.90(16) yes . . .
In2 N14 Si8 126.3(3) yes . . .
Si6 N14 Si8 120.8(3) yes . . .
In1 N15 Si7 124.8(2) yes . . .
In1 N15 Si9 113.0(3) yes . . .
Si7 N15 Si9 122.3(2) yes . . .
Si16 C17 H17A 109.479 no . . .
Si16 C17 H17B 109.467 no . . .
Si16 C17 H17C 109.479 no . . .
H17A C17 H17B 109.463 no . . .
H17A C17 H17C 109.479 no . . .
H17B C17 H17C 109.460 no . . .
Si16 C18 H18A 109.465 no . . .
Si16 C18 H18B 109.470 no . . .
Si16 C18 H18C 109.466 no . . .
H18A C18 H18B 109.470 no . . .
H18A C18 H18C 109.477 no . . .
H18B C18 H18C 109.481 no . . .
Si16 C19 H19A 109.471 no . . .
Si16 C19 H19B 109.478 no . . .
Si16 C19 H19C 109.472 no . . .
H19A C19 H19B 109.473 no . . .
H19A C19 H19C 109.462 no . . .
H19B C19 H19C 109.471 no . . .
Si8 C20 H20A 109.478 no . . .
Si8 C20 H20B 109.465 no . . .
Si8 C20 H20C 109.467 no . . .
H20A C20 H20B 109.464 no . . .
H20A C20 H20C 109.474 no . . .
H20B C20 H20C 109.479 no . . .
Si8 C21 H21A 109.475 no . . .
Si8 C21 H21B 109.473 no . . .
Si8 C21 H21C 109.462 no . . .
H21A C21 H21B 109.471 no . . .
H21A C21 H21C 109.473 no . . .
H21B C21 H21C 109.474 no . . .
Si8 C22 H22A 109.468 no . . .
Si8 C22 H22B 109.482 no . . .
Si8 C22 H22C 109.473 no . . .
H22A C22 H22B 109.467 no . . .
H22A C22 H22C 109.470 no . . .
H22B C22 H22C 109.468 no . . .
Si6 C23 H23A 109.475 no . . .
Si6 C23 H23B 109.474 no . . .
Si6 C23 H23C 109.480 no . . .
H23A C23 H23B 109.471 no . . .
H23A C23 H23C 109.467 no . . .
H23B C23 H23C 109.460 no . . .
Si6 C24 H24A 109.477 no . . .
Si6 C24 H24B 109.467 no . . .
Si6 C24 H24C 109.476 no . . .
H24A C24 H24B 109.466 no . . .
H24A C24 H24C 109.466 no . . .
H24B C24 H24C 109.475 no . . .
Si6 C25 H25A 109.472 no . . .
Si6 C25 H25B 109.461 no . . .
Si6 C25 H25C 109.478 no . . .
H25A C25 H25B 109.469 no . . .
H25A C25 H25C 109.471 no . . .
H25B C25 H25C 109.477 no . . .
Si7 C26 H26A 109.478 no . . .
Si7 C26 H26B 109.469 no . . .
Si7 C26 H26C 109.467 no . . .
H26A C26 H26B 109.472 no . . .
H26A C26 H26C 109.478 no . . .
H26B C26 H26C 109.463 no . . .
Si7 C27 H27A 109.470 no . . .
Si7 C27 H27B 109.467 no . . .
Si7 C27 H27C 109.473 no . . .
H27A C27 H27B 109.473 no . . .
H27A C27 H27C 109.475 no . . .
H27B C27 H27C 109.471 no . . .
Si7 C28 H28A 109.470 no . . .
Si7 C28 H28B 109.479 no . . .
Si7 C28 H28C 109.473 no . . .
H28A C28 H28B 109.472 no . . .
H28A C28 H28C 109.466 no . . .
H28B C28 H28C 109.468 no . . .
Si9 C29 H29A 109.475 no . . .
Si9 C29 H29B 109.465 no . . .
Si9 C29 H29C 109.470 no . . .
H29A C29 H29B 109.474 no . . .
H29A C29 H29C 109.465 no . . .
H29B C29 H29C 109.478 no . . .
Si9 C30 H30A 109.462 no . . .
Si9 C30 H30B 109.466 no . . .
Si9 C30 H30C 109.470 no . . .
H30A C30 H30B 109.468 no . . .
H30A C30 H30C 109.478 no . . .
H30B C30 H30C 109.483 no . . .
Si9 C31 H31A 109.471 no . . .
Si9 C31 H31B 109.471 no . . .
Si9 C31 H31C 109.477 no . . .
H31A C31 H31B 109.472 no . . .
H31A C31 H31C 109.473 no . . .
H31B C31 H31C 109.463 no . . .
Si10 C32 H32A 109.471 no . . .
Si10 C32 H32B 109.470 no . . .
Si10 C32 H32C 109.467 no . . .
H32A C32 H32B 109.469 no . . .
H32A C32 H32C 109.472 no . . .
H32B C32 H32C 109.480 no . . .
Si10 C33 H33A 109.473 no . . .
Si10 C33 H33B 109.467 no . . .
Si10 C33 H33C 109.468 no . . .
H33A C33 H33B 109.479 no . . .
H33A C33 H33C 109.468 no . . .
H33B C33 H33C 109.472 no . . .
Si10 C34 H34A 109.466 no . . .
Si10 C34 H34B 109.468 no . . .
Si10 C34 H34C 109.471 no . . .
H34A C34 H34B 109.474 no . . .
H34A C34 H34C 109.483 no . . .
H34B C34 H34C 109.466 no . . .
Si5 C35 H35A 109.465 no . . .
Si5 C35 H35B 109.480 no . . .
Si5 C35 H35C 109.473 no . . .
H35A C35 H35B 109.467 no . . .
H35A C35 H35C 109.462 no . . .
H35B C35 H35C 109.481 no . . .
Si5 C36 H36A 109.467 no . . .
Si5 C36 H36B 109.465 no . . .
Si5 C36 H36C 109.476 no . . .
H36A C36 H36B 109.480 no . . .
H36A C36 H36C 109.468 no . . .
H36B C36 H36C 109.471 no . . .
Si5 C37 H37A 109.475 no . . .
Si5 C37 H37B 109.474 no . . .
Si5 C37 H37C 109.475 no . . .
H37A C37 H37B 109.469 no . . .
H37A C37 H37C 109.465 no . . .
H37B C37 H37C 109.469 no . . .
Si11 C38 H38A 109.468 no . . .
Si11 C38 H38B 109.472 no . . .
Si11 C38 H38C 109.466 no . . .
H38A C38 H38B 109.476 no . . .
H38A C38 H38C 109.464 no . . .
H38B C38 H38C 109.482 no . . .
Si11 C39 H39A 109.475 no . . .
Si11 C39 H39B 109.470 no . . .
Si11 C39 H39C 109.472 no . . .
H39A C39 H39B 109.459 no . . .
H39A C39 H39C 109.476 no . . .
H39B C39 H39C 109.475 no . . .
Si11 C40 H40A 109.469 no . . .
Si11 C40 H40B 109.476 no . . .
Si11 C40 H40C 109.472 no . . .
H40A C40 H40B 109.463 no . . .
H40A C40 H40C 109.468 no . . .
H40B C40 H40C 109.479 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl3 In1 Cl4 In2 -6.82(4) no . . . .
Cl4 In1 Cl3 In2 6.82(4) no . . . .
Cl3 In1 N13 Si10 95.16(18) no . . . .
Cl3 In1 N13 Si11 -81.1(3) no . . . .
N13 In1 Cl3 In2 124.94(14) no . . . .
Cl3 In1 N15 Si7 -26.2(3) no . . . .
Cl3 In1 N15 Si9 153.36(12) no . . . .
N15 In1 Cl3 In2 -89.79(13) no . . . .
Cl4 In1 N13 Si10 -177.23(13) no . . . .
Cl4 In1 N13 Si11 6.5(3) no . . . .
N13 In1 Cl4 In2 -105.41(13) no . . . .
Cl4 In1 N15 Si7 -113.0(2) no . . . .
Cl4 In1 N15 Si9 66.59(17) no . . . .
N15 In1 Cl4 In2 111.95(12) no . . . .
N13 In1 N15 Si7 109.0(3) no . . . .
N13 In1 N15 Si9 -71.4(3) no . . . .
N15 In1 N13 Si10 -46.2(3) no . . . .
N15 In1 N13 Si11 137.6(3) no . . . .
Cl3 In2 Cl4 In1 6.82(4) no . . . .
Cl4 In2 Cl3 In1 -6.80(4) no . . . .
Cl3 In2 N12 Si5 -26.3(3) no . . . .
Cl3 In2 N12 Si16 149.25(13) no . . . .
N12 In2 Cl3 In1 -105.62(13) no . . . .
Cl3 In2 N14 Si6 66.3(2) no . . . .
Cl3 In2 N14 Si8 -115.6(3) no . . . .
N14 In2 Cl3 In1 107.25(10) no . . . .
Cl4 In2 N12 Si5 -113.1(3) no . . . .
Cl4 In2 N12 Si16 62.52(18) no . . . .
N12 In2 Cl4 In1 120.74(10) no . . . .
Cl4 In2 N14 Si6 153.26(15) no . . . .
Cl4 In2 N14 Si8 -28.7(3) no . . . .
N14 In2 Cl4 In1 -92.42(13) no . . . .
N12 In2 N14 Si6 -72.5(3) no . . . .
N12 In2 N14 Si8 105.5(3) no . . . .
N14 In2 N12 Si5 108.4(3) no . . . .
N14 In2 N12 Si16 -76.0(3) no . . . .
C35 Si5 N12 In2 6.8(4) no . . . .
C35 Si5 N12 Si16 -168.5(3) no . . . .
C36 Si5 N12 In2 127.6(4) no . . . .
C36 Si5 N12 Si16 -47.6(4) no . . . .
C37 Si5 N12 In2 -111.6(4) no . . . .
C37 Si5 N12 Si16 73.2(5) no . . . .
C23 Si6 N14 In2 -104.0(3) no . . . .
C23 Si6 N14 Si8 77.8(3) no . . . .
C24 Si6 N14 In2 133.6(3) no . . . .
C24 Si6 N14 Si8 -44.5(4) no . . . .
C25 Si6 N14 In2 14.8(4) no . . . .
C25 Si6 N14 Si8 -163.4(3) no . . . .
C26 Si7 N15 In1 135.5(3) no . . . .
C26 Si7 N15 Si9 -44.0(4) no . . . .
C27 Si7 N15 In1 -105.5(3) no . . . .
C27 Si7 N15 Si9 75.0(3) no . . . .
C28 Si7 N15 In1 16.1(4) no . . . .
C28 Si7 N15 Si9 -163.4(3) no . . . .
C20 Si8 N14 In2 -99.8(4) no . . . .
C20 Si8 N14 Si6 78.1(4) no . . . .
C21 Si8 N14 In2 21.3(4) no . . . .
C21 Si8 N14 Si6 -160.8(3) no . . . .
C22 Si8 N14 In2 139.9(3) no . . . .
C22 Si8 N14 Si6 -42.2(4) no . . . .
C29 Si9 N15 In1 14.4(3) no . . . .
C29 Si9 N15 Si7 -166.0(3) no . . . .
C30 Si9 N15 In1 135.3(3) no . . . .
C30 Si9 N15 Si7 -45.1(4) no . . . .
C31 Si9 N15 In1 -102.5(3) no . . . .
C31 Si9 N15 Si7 77.0(4) no . . . .
C32 Si10 N13 In1 -29.7(3) no . . . .
C32 Si10 N13 Si11 146.6(3) no . . . .
C33 Si10 N13 In1 -148.9(4) no . . . .
C33 Si10 N13 Si11 27.4(5) no . . . .
C34 Si10 N13 In1 87.9(5) no . . . .
C34 Si10 N13 Si11 -95.8(5) no . . . .
C38 Si11 N13 In1 100.4(4) no . . . .
C38 Si11 N13 Si10 -75.4(4) no . . . .
C39 Si11 N13 In1 -141.5(5) no . . . .
C39 Si11 N13 Si10 42.6(5) no . . . .
C40 Si11 N13 In1 -20.0(7) no . . . .
C40 Si11 N13 Si10 164.1(7) no . . . .
C17 Si16 N12 In2 139.9(4) no . . . .
C17 Si16 N12 Si5 -44.2(5) no . . . .
C18 Si16 N12 In2 -99.3(3) no . . . .
C18 Si16 N12 Si5 76.7(4) no . . . .
C19 Si16 N12 In2 16.7(4) no . . . .
C19 Si16 N12 Si5 -167.3(3) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
In1 C29 3.190(7) no . .
In1 C32 3.277(7) no . .
In2 C19 3.186(7) no . .
In2 C25 3.185(7) no . .
Cl3 C28 3.477(7) no . .
Cl3 C35 3.522(6) no . .
Cl4 C21 3.452(6) no . .
Cl4 C40 3.403(13) no . .
Si5 C17 3.547(9) no . .
Si6 C22 3.498(5) no . .
Si7 C30 3.580(8) no . .
Si8 C24 3.562(7) no . .
Si9 C26 3.567(8) no . .
Si10 C39 3.561(13) no . .
Si11 C33 3.512(9) no . .
Si16 C36 3.559(6) no . .
C17 C37 3.468(13) no . .
C18 C36 3.532(9) no . .
C20 C24 3.595(10) no . .
C22 C23 3.555(7) no . .
C27 C30 3.556(12) no . .
C33 C39 3.566(17) no . .
In1 H28A 3.5585 no . .
In1 H28B 3.3343 no . .
In1 H29A 3.1221 no . .
In1 H29B 2.8785 no . .
In1 H32A 2.8741 no . .
In1 H32B 3.3492 no . .
In1 H40A 3.3631 no . .
In1 H40B 3.5738 no . .
In2 H19A 3.1431 no . .
In2 H19B 2.8477 no . .
In2 H21B 3.4450 no . .
In2 H25A 3.1271 no . .
In2 H25B 2.8605 no . .
In2 H35B 3.5394 no . .
Cl3 H23A 3.3771 no . .
Cl3 H25B 2.9768 no . .
Cl3 H28A 3.0838 no . .
Cl3 H28B 3.0085 no . .
Cl3 H32B 3.3564 no . .
Cl3 H35A 2.9651 no . .
Cl3 H35B 3.2570 no . .
Cl4 H18A 3.1292 no . .
Cl4 H19B 2.8773 no . .
Cl4 H21A 3.1150 no . .
Cl4 H21B 2.9503 no . .
Cl4 H29B 2.9525 no . .
Cl4 H31A 3.2341 no . .
Cl4 H40A 2.7256 no . .
Cl4 H40B 3.2588 no . .
Si5 H17A 3.2267 no . .
Si5 H25A 3.5184 no . .
Si6 H22A 3.1784 no . .
Si7 H30A 3.4251 no . .
Si7 H30B 3.5614 no . .
Si7 H32A 3.0943 no . .
Si8 H19A 3.4918 no . .
Si8 H19B 3.5947 no . .
Si8 H24A 3.2491 no . .
Si9 H26A 3.2536 no . .
Si10 H39B 3.2603 no . .
Si11 H33A 3.5750 no . .
Si11 H33B 3.2573 no . .
Si16 H36A 3.2350 no . .
Si16 H37B 3.5375 no . .
N12 H17A 3.1596 no . .
N12 H17B 3.1731 no . .
N12 H18A 3.2101 no . .
N12 H18B 3.2050 no . .
N12 H19A 3.1145 no . .
N12 H19B 3.1127 no . .
N12 H25A 3.2363 no . .
N12 H25B 3.4969 no . .
N12 H35A 3.1978 no . .
N12 H35B 3.1954 no . .
N12 H36A 3.1601 no . .
N12 H36B 3.1630 no . .
N12 H37A 3.1628 no . .
N12 H37B 3.1621 no . .
N13 H29A 3.1097 no . .
N13 H29B 3.4510 no . .
N13 H32A 3.0987 no . .
N13 H32B 3.0965 no . .
N13 H33A 3.1977 no . .
N13 H33B 3.1957 no . .
N13 H34A 3.1580 no . .
N13 H34B 3.1442 no . .
N13 H38A 3.1674 no . .
N13 H38B 3.1663 no . .
N13 H39A 3.1409 no . .
N13 H39B 3.1463 no . .
N13 H40A 3.1654 no . .
N13 H40B 3.1354 no . .
N14 H19A 3.2962 no . .
N14 H19B 3.5159 no . .
N14 H20A 3.1955 no . .
N14 H20B 3.1921 no . .
N14 H21A 3.1809 no . .
N14 H21B 3.1821 no . .
N14 H22A 3.1422 no . .
N14 H22B 3.1428 no . .
N14 H23A 3.2094 no . .
N14 H23B 3.2088 no . .
N14 H24A 3.1761 no . .
N14 H24B 3.1800 no . .
N14 H25A 3.1134 no . .
N14 H25B 3.1083 no . .
N14 H28A 3.4540 no . .
N15 H21A 3.4935 no . .
N15 H26A 3.1552 no . .
N15 H26B 3.1607 no . .
N15 H27A 3.1881 no . .
N15 H27B 3.1897 no . .
N15 H28A 3.1501 no . .
N15 H28B 3.1463 no . .
N15 H29A 3.1184 no . .
N15 H29B 3.1217 no . .
N15 H30A 3.2676 no . .
N15 H30B 3.0646 no . .
N15 H31A 3.1947 no . .
N15 H31B 3.1978 no . .
N15 H32A 2.9840 no . .
C17 H18B 3.1882 no . .
C17 H18C 3.1181 no . .
C17 H19A 3.2284 no . .
C17 H19C 3.1610 no . .
C17 H36A 3.3016 no . .
C17 H37B 2.7482 no . .
C18 H17A 3.1772 no . .
C18 H17C 3.1023 no . .
C18 H19B 3.1188 no . .
C18 H19C 3.1101 no . .
C18 H36A 3.0693 no . .
C18 H36B 3.3585 no . .
C18 H40A 3.4815 no . .
C19 H17B 3.2015 no . .
C19 H17C 3.1768 no . .
C19 H18A 3.1083 no . .
C19 H18C 3.1374 no . .
C19 H20A 3.0374 no . .
C19 H21B 3.1083 no . .
C20 H19A 3.1082 no . .
C20 H21B 3.1799 no . .
C20 H21C 3.1153 no . .
C20 H22A 3.1890 no . .
C20 H22C 3.1389 no . .
C20 H24A 3.1789 no . .
C20 H24B 3.3811 no . .
C21 H19B 3.1543 no . .
C21 H20A 3.1861 no . .
C21 H20C 3.1200 no . .
C21 H22B 3.1331 no . .
C21 H22C 3.0901 no . .
C21 H26B 3.2517 no . .
C21 H31A 3.1596 no . .
C22 H20B 3.1863 no . .
C22 H20C 3.1492 no . .
C22 H21A 3.1219 no . .
C22 H21C 3.0982 no . .
C22 H23B 2.8648 no . .
C22 H24A 3.1739 no . .
C22 H26B 3.4687 no . .
C22 H28A 3.5528 no . .
C23 H22A 3.1498 no . .
C23 H22B 3.3098 no . .
C23 H24A 3.2063 no . .
C23 H24C 3.1100 no . .
C23 H25B 3.1651 no . .
C23 H25C 3.1096 no . .
C23 H28A 3.1695 no . .
C24 H20B 2.8947 no . .
C24 H22A 3.1507 no . .
C24 H23B 3.1982 no . .
C24 H23C 3.1187 no . .
C24 H25A 3.1651 no . .
C24 H25C 3.1391 no . .
C25 H23A 3.1390 no . .
C25 H23C 3.1357 no . .
C25 H24B 3.1488 no . .
C25 H24C 3.1543 no . .
C25 H35B 2.8857 no . .
C25 H37A 3.3665 no . .
C26 H21A 3.3553 no . .
C26 H22B 3.4795 no . .
C26 H27B 3.1498 no . .
C26 H27C 3.1192 no . .
C26 H28A 3.1508 no . .
C26 H28C 3.1244 no . .
C26 H30A 3.3460 no . .
C26 H31B 2.9171 no . .
C27 H26A 3.1556 no . .
C27 H26C 3.1078 no . .
C27 H28B 3.2094 no . .
C27 H28C 3.1445 no . .
C27 H30A 3.3462 no . .
C27 H30B 3.1305 no . .
C27 H32A 3.0077 no . .
C28 H22B 3.4252 no . .
C28 H23A 3.1361 no . .
C28 H26B 3.1497 no . .
C28 H26C 3.1275 no . .
C28 H27A 3.2064 no . .
C28 H27C 3.1551 no . .
C28 H32A 3.1956 no . .
C29 H30B 3.3248 no . .
C29 H30C 3.0899 no . .
C29 H31A 3.1036 no . .
C29 H31C 3.1108 no . .
C29 H34B 3.4766 no . .
C29 H40B 3.3351 no . .
C30 H26A 3.2722 no . .
C30 H27B 2.8550 no . .
C30 H29A 3.2231 no . .
C30 H29C 3.1823 no . .
C30 H31B 3.1955 no . .
C30 H31C 3.1337 no . .
C31 H21A 3.1793 no . .
C31 H26A 3.1870 no . .
C31 H26B 3.3917 no . .
C31 H29B 3.1235 no . .
C31 H29C 3.0953 no . .
C31 H30A 3.0944 no . .
C31 H30C 3.2384 no . .
C32 H27A 3.0821 no . .
C32 H28B 3.1419 no . .
C32 H33A 3.1310 no . .
C32 H33C 3.1265 no . .
C32 H34B 3.1329 no . .
C32 H34C 3.1342 no . .
C33 H32B 3.1577 no . .
C33 H32C 3.1013 no . .
C33 H34A 3.2145 no . .
C33 H34C 3.1358 no . .
C33 H38A 2.9380 no . .
C33 H39B 2.8599 no . .
C34 H29A 3.2039 no . .
C34 H32A 3.1347 no . .
C34 H32C 3.1303 no . .
C34 H33B 3.2107 no . .
C34 H33C 3.1366 no . .
C35 H25B 3.0025 no . .
C35 H36B 3.1710 no . .
C35 H36C 3.0939 no . .
C35 H37A 3.1227 no . .
C35 H37C 3.0627 no . .
C35 H38B 3.0768 no . .
C36 H17A 3.2961 no . .
C36 H18B 2.8264 no . .
C36 H35A 3.1550 no . .
C36 H35C 3.1009 no . .
C36 H37B 3.2036 no . .
C36 H37C 3.1584 no . .
C37 H17A 3.0266 no . .
C37 H17B 3.2758 no . .
C37 H25A 3.3590 no . .
C37 H35B 3.1056 no . .
C37 H35C 3.0690 no . .
C37 H36A 3.2032 no . .
C37 H36C 3.1569 no . .
C38 H33A 3.2172 no . .
C38 H33B 3.4307 no . .
C38 H35A 3.1638 no . .
C38 H39B 3.1026 no . .
C38 H39C 3.0835 no . .
C38 H40A 3.1335 no . .
C38 H40C 3.1204 no . .
C39 H33B 2.8739 no . .
C39 H34A 3.3817 no . .
C39 H38A 3.1146 no . .
C39 H38C 3.0869 no . .
C39 H40B 3.1672 no . .
C39 H40C 3.0729 no . .
C40 H18A 3.4419 no . .
C40 H29B 3.3487 no . .
C40 H36B 3.5403 no . .
C40 H38B 3.1636 no . .
C40 H38C 3.1080 no . .
C40 H39A 3.1564 no . .
C40 H39C 3.0845 no . .
H17A H18B 3.0550 no . .
H17A H18C 3.3833 no . .
H17A H36A 2.5996 no . .
H17A H37B 2.2445 no . .
H17B H19A 3.0913 no . .
H17B H19C 3.4066 no . .
H17B H37A 3.4391 no . .
H17B H37B 2.5446 no . .
H17C H18B 3.3783 no . .
H17C H18C 2.9030 no . .
H17C H19A 3.4679 no . .
H17C H19C 2.9945 no . .
H18A H19B 2.9285 no . .
H18A H19C 3.3199 no . .
H18A H36B 3.5358 no . .
H18A H40A 2.8037 no . .
H18A H40B 3.5187 no . .
H18A H40C 3.4937 no . .
H18B H36A 2.3001 no . .
H18B H36B 2.6376 no . .
H18B H40A 3.3860 no . .
H18C H19B 3.3725 no . .
H18C H19C 2.9497 no . .
H19A H20A 2.2755 no . .
H19A H20B 3.5592 no . .
H19A H21B 3.1848 no . .
H19B H20A 3.1351 no . .
H19B H21B 2.2808 no . .
H19C H20A 3.3035 no . .
H19C H21B 3.5293 no . .
H20A H21B 3.0513 no . .
H20A H21C 3.3856 no . .
H20B H22A 3.0468 no . .
H20B H22C 3.3917 no . .
H20B H24A 2.4346 no . .
H20B H24B 2.6398 no . .
H20C H21B 3.3830 no . .
H20C H21C 2.9143 no . .
H20C H22A 3.4099 no . .
H20C H22C 2.9553 no . .
H21A H22B 2.9704 no . .
H21A H22C 3.3295 no . .
H21A H26B 2.5007 no . .
H21A H28A 3.3580 no . .
H21A H31A 2.6417 no . .
H21A H31B 2.9547 no . .
H21B H31A 3.0520 no . .
H21C H22B 3.3565 no . .
H21C H22C 2.9005 no . .
H21C H26B 3.2750 no . .
H21C H31A 3.2887 no . .
H21C H31B 3.4650 no . .
H22A H23B 2.4242 no . .
H22A H24A 2.4257 no . .
H22B H23A 3.5479 no . .
H22B H23B 2.5722 no . .
H22B H26B 2.7915 no . .
H22B H26C 3.4460 no . .
H22B H28A 2.7261 no . .
H22B H28C 3.3874 no . .
H22C H26B 3.4676 no . .
H23A H25B 2.9974 no . .
H23A H25C 3.3334 no . .
H23A H28A 2.5917 no . .
H23A H28B 3.1421 no . .
H23A H28C 3.1784 no . .
H23B H24A 3.0865 no . .
H23B H24C 3.3820 no . .
H23B H28A 3.0063 no . .
H23B H28C 3.4327 no . .
H23C H24A 3.4055 no . .
H23C H24C 2.9021 no . .
H23C H25B 3.4066 no . .
H23C H25C 2.9358 no . .
H24B H25A 2.9958 no . .
H24B H25C 3.3645 no . .
H24C H25A 3.4089 no . .
H24C H25C 2.9743 no . .
H25A H35B 2.9169 no . .
H25A H37A 2.5740 no . .
H25B H35A 3.3420 no . .
H25B H35B 2.1280 no . .
H25B H37A 3.4672 no . .
H25C H35B 3.2610 no . .
H26A H27B 3.0013 no . .
H26A H27C 3.3767 no . .
H26A H30A 2.5813 no . .
H26A H31B 2.4415 no . .
H26B H28A 2.9949 no . .
H26B H28C 3.3701 no . .
H26B H31A 3.5886 no . .
H26B H31B 2.6708 no . .
H26C H27B 3.3530 no . .
H26C H27C 2.9191 no . .
H26C H28A 3.3760 no . .
H26C H28C 2.9439 no . .
H27A H28B 3.0803 no . .
H27A H28C 3.4073 no . .
H27A H30B 3.3200 no . .
H27A H32A 2.2754 no . .
H27A H32C 3.0763 no . .
H27B H30A 2.5836 no . .
H27B H30B 2.4075 no . .
H27B H32A 3.5980 no . .
H27C H28B 3.4260 no . .
H27C H28C 2.9583 no . .
H28B H32A 2.5201 no . .
H28B H32B 2.9021 no . .
H29A H30B 3.2061 no . .
H29A H30C 3.3049 no . .
H29A H34A 3.1069 no . .
H29A H34B 2.6338 no . .
H29A H39A 3.5471 no . .
H29A H40B 3.3166 no . .
H29B H31A 2.9398 no . .
H29B H31C 3.3619 no . .
H29B H40A 3.5184 no . .
H29B H40B 2.5541 no . .
H29C H30B 3.5804 no . .
H29C H30C 2.9171 no . .
H29C H31A 3.3126 no . .
H29C H31C 2.9178 no . .
H30A H31B 2.9674 no . .
H30A H31C 3.2545 no . .
H30B H34B 2.9583 no . .
H30C H31B 3.5445 no . .
H30C H31C 3.0535 no . .
H32A H34B 2.9644 no . .
H32A H34C 3.3713 no . .
H32B H33A 2.9914 no . .
H32B H33C 3.4003 no . .
H32C H33A 3.3273 no . .
H32C H33C 2.9277 no . .
H32C H34B 3.3634 no . .
H32C H34C 2.9611 no . .
H33A H38A 2.4179 no . .
H33A H38B 3.5782 no . .
H33A H39B 3.3192 no . .
H33B H34A 3.0968 no . .
H33B H34C 3.4104 no . .
H33B H38A 2.7692 no . .
H33B H39A 3.3922 no . .
H33B H39B 2.0376 no . .
H33B H39C 3.5425 no . .
H33C H34A 3.4172 no . .
H33C H34C 2.9363 no . .
H33C H39B 3.5743 no . .
H34A H39A 2.9586 no . .
H34A H39B 3.1076 no . .
H35A H36B 3.0285 no . .
H35A H36C 3.3475 no . .
H35A H38B 2.1854 no . .
H35A H38C 3.5753 no . .
H35B H37A 2.9586 no . .
H35B H37C 3.3022 no . .
H35C H36B 3.3802 no . .
H35C H36C 2.8910 no . .
H35C H37A 3.3353 no . .
H35C H37C 2.8574 no . .
H35C H38B 3.2803 no . .
H36A H37B 3.0671 no . .
H36A H37C 3.4175 no . .
H36B H38B 3.1371 no . .
H36B H38C 3.2801 no . .
H36B H40A 3.0140 no . .
H36B H40C 3.2475 no . .
H36C H37B 3.4160 no . .
H36C H37C 2.9712 no . .
H38A H39B 2.9429 no . .
H38A H39C 3.3344 no . .
H38B H40A 2.9993 no . .
H38B H40C 3.3972 no . .
H38C H39B 3.3221 no . .
H38C H39C 2.8939 no . .
H38C H40A 3.3370 no . .
H38C H40C 2.9271 no . .
H39A H40B 3.0431 no . .
H39A H40C 3.3442 no . .
H39C H40B 3.3758 no . .
H39C H40C 2.8685 no . .
Cl3 H18C 3.3405 no . 1_455
Cl3 H19C 3.0021 no . 1_455
Cl4 H32B 3.5184 no . 1_655
Cl4 H32C 3.4399 no . 1_655
C17 H24B 2.9443 no . 2_775
C17 H35B 3.4874 no . 1_655
C18 H26C 3.5904 no . 1_565
C18 H32B 3.3358 no . 1_655
C18 H33A 3.4123 no . 1_655
C19 H23A 3.2862 no . 1_655
C20 H23C 3.4802 no . 1_655
C20 H24C 3.5899 no . 2_765
C20 H36C 3.4913 no . 1_645
C22 H17A 3.3733 no . 1_545
C22 H35C 3.3628 no . 1_645
C22 H36A 3.1363 no . 1_545
C23 H19C 3.4399 no . 1_455
C23 H20A 3.2698 no . 1_455
C24 H17A 3.4430 no . 2_775
C24 H17C 3.5179 no . 2_775
C24 H20B 3.5047 no . 2_765
C24 H22A 3.4287 no . 2_765
C24 H24A 3.0727 no . 2_765
C25 H25C 3.1338 no . 2_675
C25 H37A 3.5025 no . 2_675
C26 H18B 3.5283 no . 1_545
C26 H33A 3.2882 no . 1_645
C26 H38A 3.2345 no . 1_645
C26 H40C 3.4280 no . 1_545
C27 H30B 3.5584 no . 2_666
C27 H31C 3.3937 no . 1_455
C27 H39C 3.3876 no . 1_545
C29 H32C 3.5091 no . 1_655
C29 H39B 3.5634 no . 2_676
C29 H39C 3.5693 no . 2_676
C30 H31C 3.4125 no . 2_766
C30 H34B 3.5755 no . 2_666
C30 H34C 3.3290 no . 2_666
C31 H27A 3.3268 no . 1_655
C31 H30C 3.3712 no . 2_766
C31 H38C 3.5753 no . 1_645
C32 H18A 3.4778 no . 1_455
C33 H26A 3.2936 no . 1_465
C33 H40B 3.4576 no . 1_455
C34 H30A 3.3068 no . 2_666
C35 H17C 3.1447 no . 1_455
C35 H18C 3.4993 no . 1_455
C35 H22C 3.2980 no . 1_465
C36 H20C 3.5002 no . 1_465
C36 H22B 3.4044 no . 1_565
C36 H23B 3.4472 no . 1_565
C36 H28C 3.2130 no . 1_565
C37 H23C 3.2796 no . 2_675
C37 H25C 3.4141 no . 2_675
C38 H21C 3.4611 no . 1_465
C38 H31B 3.3147 no . 1_465
C39 H29A 3.2585 no . 2_676
C39 H29C 3.4672 no . 2_676
C39 H34A 3.4629 no . 2_676
C39 H39A 3.3594 no . 2_676
C40 H26C 3.4979 no . 1_565
C40 H33C 3.4104 no . 1_655
H17A C22 3.3733 no . 1_565
H17A C24 3.4430 no . 2_775
H17A H22A 2.9366 no . 1_565
H17A H22B 3.5647 no . 1_565
H17A H22C 3.1004 no . 1_565
H17A H24B 2.6076 no . 2_775
H17A H24C 3.4879 no . 2_775
H17B H24B 2.8446 no . 2_775
H17B H25A 3.3940 no . 2_775
H17C C24 3.5179 no . 2_775
H17C C35 3.1447 no . 1_655
H17C H22C 3.3694 no . 1_565
H17C H24B 2.8831 no . 2_775
H17C H24C 3.2722 no . 2_775
H17C H25B 3.2444 no . 1_655
H17C H35A 3.4462 no . 1_655
H17C H35B 2.5165 no . 1_655
H17C H35C 3.0325 no . 1_655
H18A C32 3.4778 no . 1_655
H18A H26C 3.5841 no . 1_565
H18A H32B 2.6442 no . 1_655
H18A H33A 2.9044 no . 1_655
H18B C26 3.5283 no . 1_565
H18B H22B 3.2177 no . 1_565
H18B H22C 3.2194 no . 1_565
H18B H26B 3.3735 no . 1_565
H18B H26C 2.8221 no . 1_565
H18B H33A 3.4415 no . 1_655
H18C Cl3 3.3405 no . 1_655
H18C C35 3.4993 no . 1_655
H18C H22C 3.4770 no . 1_565
H18C H32B 3.1865 no . 1_655
H18C H33A 3.3506 no . 1_655
H18C H35A 2.9433 no . 1_655
H18C H35B 3.4100 no . 1_655
H18C H38A 3.4203 no . 1_655
H18C H38B 3.1824 no . 1_655
H19A H23A 3.2139 no . 1_655
H19A H23C 3.5168 no . 1_655
H19B H23A 3.5767 no . 1_655
H19B H28B 3.4128 no . 1_655
H19B H32B 3.3274 no . 1_655
H19C Cl3 3.0021 no . 1_655
H19C C23 3.4399 no . 1_655
H19C H23A 2.6176 no . 1_655
H19C H23C 3.5150 no . 1_655
H19C H25B 3.1379 no . 1_655
H19C H28B 3.4144 no . 1_655
H20A C23 3.2698 no . 1_655
H20A H23A 3.0266 no . 1_655
H20A H23B 3.5312 no . 1_655
H20A H23C 2.7690 no . 1_655
H20B C24 3.5047 no . 2_765
H20B H24A 3.0593 no . 2_765
H20B H24C 3.0337 no . 2_765
H20B H37B 3.5160 no . 2_775
H20C C36 3.5002 no . 1_645
H20C H23C 3.4380 no . 1_655
H20C H24C 3.3175 no . 2_765
H20C H35C 2.8338 no . 1_645
H20C H36C 2.6005 no . 1_645
H20C H37C 3.0717 no . 1_645
H21B H28B 3.2587 no . 1_655
H21B H28C 3.3638 no . 1_655
H21C C38 3.4611 no . 1_645
H21C H28C 3.2444 no . 1_655
H21C H36C 3.3297 no . 1_645
H21C H38A 3.5738 no . 1_645
H21C H38B 3.4139 no . 1_645
H21C H38C 2.8727 no . 1_645
H22A C24 3.4287 no . 2_765
H22A H17A 2.9366 no . 1_545
H22A H24A 3.2286 no . 2_765
H22A H24B 3.2390 no . 2_765
H22A H24C 3.2426 no . 2_765
H22A H36A 3.0414 no . 1_545
H22B C36 3.4044 no . 1_545
H22B H17A 3.5647 no . 1_545
H22B H18B 3.2177 no . 1_545
H22B H36A 2.5694 no . 1_545
H22B H36C 3.5444 no . 1_545
H22C C35 3.2980 no . 1_645
H22C H17A 3.1004 no . 1_545
H22C H17C 3.3694 no . 1_545
H22C H18B 3.2194 no . 1_545
H22C H18C 3.4770 no . 1_545
H22C H24C 3.4815 no . 2_765
H22C H35A 3.3754 no . 1_645
H22C H35C 2.4723 no . 1_645
H22C H36A 3.3212 no . 1_545
H23A C19 3.2862 no . 1_455
H23A H19A 3.2139 no . 1_455
H23A H19B 3.5767 no . 1_455
H23A H19C 2.6176 no . 1_455
H23A H20A 3.0266 no . 1_455
H23B C36 3.4472 no . 1_545
H23B H20A 3.5312 no . 1_455
H23B H36A 3.0585 no . 1_545
H23B H36C 2.9248 no . 1_545
H23C C20 3.4802 no . 1_455
H23C C37 3.2796 no . 2_675
H23C H19A 3.5168 no . 1_455
H23C H19C 3.5150 no . 1_455
H23C H20A 2.7690 no . 1_455
H23C H20C 3.4380 no . 1_455
H23C H37A 3.0822 no . 2_675
H23C H37B 3.5326 no . 2_675
H23C H37C 2.7414 no . 2_675
H24A C24 3.0727 no . 2_765
H24A H20B 3.0593 no . 2_765
H24A H22A 3.2286 no . 2_765
H24A H24A 2.2420 no . 2_765
H24A H24B 3.3330 no . 2_765
H24A H24C 3.2752 no . 2_765
H24B C17 2.9443 no . 2_775
H24B H17A 2.6076 no . 2_775
H24B H17B 2.8446 no . 2_775
H24B H17C 2.8831 no . 2_775
H24B H22A 3.2390 no . 2_765
H24B H24A 3.3330 no . 2_765
H24B H37B 3.4155 no . 2_775
H24C C20 3.5899 no . 2_765
H24C H17A 3.4879 no . 2_775
H24C H17C 3.2722 no . 2_775
H24C H20B 3.0337 no . 2_765
H24C H20C 3.3175 no . 2_765
H24C H22A 3.2426 no . 2_765
H24C H22C 3.4815 no . 2_765
H24C H24A 3.2752 no . 2_765
H24C H35B 3.5122 no . 2_675
H24C H35C 3.0191 no . 2_675
H24C H37A 3.5258 no . 2_675
H24C H37C 2.9881 no . 2_675
H25A H17B 3.3940 no . 2_775
H25A H25C 2.8398 no . 2_675
H25B H17C 3.2444 no . 1_455
H25B H19C 3.1379 no . 1_455
H25B H25C 3.4791 no . 2_675
H25C C25 3.1338 no . 2_675
H25C C37 3.4141 no . 2_675
H25C H25A 2.8398 no . 2_675
H25C H25B 3.4791 no . 2_675
H25C H25C 2.6447 no . 2_675
H25C H37A 2.5643 no . 2_675
H25C H37C 3.4596 no . 2_675
H26A C33 3.2936 no . 1_645
H26A H33A 2.8079 no . 1_645
H26A H33B 3.0072 no . 1_645
H26A H33C 3.5917 no . 1_645
H26A H38A 2.8757 no . 1_645
H26A H40C 3.5015 no . 1_545
H26B H18B 3.3735 no . 1_545
H26B H33A 3.5647 no . 1_645
H26B H38A 2.8560 no . 1_645
H26C C18 3.5904 no . 1_545
H26C C40 3.4979 no . 1_545
H26C H18A 3.5841 no . 1_545
H26C H18B 2.8221 no . 1_545
H26C H33A 3.0107 no . 1_645
H26C H36A 3.5218 no . 1_545
H26C H36B 3.0876 no . 1_545
H26C H38A 3.4847 no . 1_645
H26C H40C 2.6243 no . 1_545
H27A C31 3.3268 no . 1_455
H27A H30B 3.2553 no . 2_666
H27A H30C 3.1191 no . 2_666
H27A H31A 3.0168 no . 1_455
H27A H31C 2.7980 no . 1_455
H27B H30B 2.9628 no . 2_666
H27B H30C 3.4751 no . 2_666
H27B H34B 3.1502 no . 2_666
H27B H34C 3.5983 no . 2_666
H27B H39C 3.2356 no . 1_545
H27C H31A 3.4558 no . 1_455
H27C H31B 3.5936 no . 1_455
H27C H31C 3.1964 no . 1_455
H27C H38C 2.8127 no . 1_545
H27C H39C 2.7369 no . 1_545
H27C H40C 2.8961 no . 1_545
H28B H19B 3.4128 no . 1_455
H28B H19C 3.4144 no . 1_455
H28B H21B 3.2587 no . 1_455
H28C C36 3.2130 no . 1_545
H28C H21B 3.3638 no . 1_455
H28C H21C 3.2444 no . 1_455
H28C H36A 3.3265 no . 1_545
H28C H36B 2.9591 no . 1_545
H28C H36C 2.8351 no . 1_545
H29A C39 3.2585 no . 2_676
H29A H39A 3.0070 no . 2_676
H29A H39B 3.2408 no . 2_676
H29A H39C 2.9825 no . 2_676
H29B H32C 2.8333 no . 1_655
H29C C39 3.4672 no . 2_676
H29C H30A 3.4633 no . 2_766
H29C H30C 2.9242 no . 2_766
H29C H31C 3.3829 no . 2_766
H29C H32C 3.3693 no . 1_655
H29C H39A 3.5811 no . 2_676
H29C H39B 3.0310 no . 2_676
H29C H39C 3.2440 no . 2_676
H30A C34 3.3068 no . 2_666
H30A H29C 3.4633 no . 2_766
H30A H34B 3.1459 no . 2_666
H30A H34C 2.6174 no . 2_666
H30B C27 3.5584 no . 2_666
H30B H27A 3.2553 no . 2_666
H30B H27B 2.9628 no . 2_666
H30B H30B 2.7963 no . 2_666
H30B H34B 3.2567 no . 2_666
H30B H34C 3.4676 no . 2_666
H30C C31 3.3712 no . 2_766
H30C H27A 3.1191 no . 2_666
H30C H27B 3.4751 no . 2_666
H30C H29C 2.9242 no . 2_766
H30C H30C 3.5266 no . 2_766
H30C H31C 2.4516 no . 2_766
H30C H34C 3.4352 no . 2_666
H31A H27A 3.0168 no . 1_655
H31A H27C 3.4558 no . 1_655
H31A H32C 3.0984 no . 1_655
H31B C38 3.3147 no . 1_645
H31B H27C 3.5936 no . 1_655
H31B H38A 2.8993 no . 1_645
H31B H38C 2.8548 no . 1_645
H31B H39B 3.5325 no . 1_645
H31B H39C 3.5019 no . 1_645
H31C C27 3.3937 no . 1_655
H31C C30 3.4125 no . 2_766
H31C H27A 2.7980 no . 1_655
H31C H27C 3.1964 no . 1_655
H31C H29C 3.3829 no . 2_766
H31C H30C 2.4516 no . 2_766
H31C H39C 3.3729 no . 1_645
H32B Cl4 3.5184 no . 1_455
H32B C18 3.3358 no . 1_455
H32B H18A 2.6442 no . 1_455
H32B H18C 3.1865 no . 1_455
H32B H19B 3.3274 no . 1_455
H32C Cl4 3.4399 no . 1_455
H32C C29 3.5091 no . 1_455
H32C H29B 2.8333 no . 1_455
H32C H29C 3.3693 no . 1_455
H32C H31A 3.0984 no . 1_455
H32C H40B 3.5623 no . 1_455
H33A C18 3.4123 no . 1_455
H33A C26 3.2882 no . 1_465
H33A H18A 2.9044 no . 1_455
H33A H18B 3.4415 no . 1_455
H33A H18C 3.3506 no . 1_455
H33A H26A 2.8079 no . 1_465
H33A H26B 3.5647 no . 1_465
H33A H26C 3.0107 no . 1_465
H33A H40B 3.3190 no . 1_455
H33A H40C 3.3059 no . 1_455
H33B H26A 3.0072 no . 1_465
H33B H34C 3.2299 no . 2_576
H33C C40 3.4104 no . 1_455
H33C H26A 3.5917 no . 1_465
H33C H34A 3.2621 no . 2_576
H33C H34C 3.2911 no . 2_576
H33C H40B 2.7349 no . 1_455
H33C H40C 3.2432 no . 1_455
H34A C39 3.4629 no . 2_676
H34A H33C 3.2621 no . 2_576
H34A H39A 2.8558 no . 2_676
H34A H39C 3.1837 no . 2_676
H34B C30 3.5755 no . 2_666
H34B H27B 3.1502 no . 2_666
H34B H30A 3.1459 no . 2_666
H34B H30B 3.2567 no . 2_666
H34B H39C 3.5659 no . 2_676
H34C C30 3.3290 no . 2_666
H34C H27B 3.5983 no . 2_666
H34C H30A 2.6174 no . 2_666
H34C H30B 3.4676 no . 2_666
H34C H30C 3.4352 no . 2_666
H34C H33B 3.2299 no . 2_576
H34C H33C 3.2911 no . 2_576
H35A H17C 3.4462 no . 1_455
H35A H18C 2.9433 no . 1_455
H35A H22C 3.3754 no . 1_465
H35B C17 3.4874 no . 1_455
H35B H17C 2.5165 no . 1_455
H35B H18C 3.4100 no . 1_455
H35B H24C 3.5122 no . 2_675
H35C C22 3.3628 no . 1_465
H35C H17C 3.0325 no . 1_455
H35C H20C 2.8338 no . 1_465
H35C H22C 2.4723 no . 1_465
H35C H24C 3.0191 no . 2_675
H36A C22 3.1363 no . 1_565
H36A H22A 3.0414 no . 1_565
H36A H22B 2.5694 no . 1_565
H36A H22C 3.3212 no . 1_565
H36A H23B 3.0585 no . 1_565
H36A H26C 3.5218 no . 1_565
H36A H28C 3.3265 no . 1_565
H36B H26C 3.0876 no . 1_565
H36B H28C 2.9591 no . 1_565
H36C C20 3.4913 no . 1_465
H36C H20C 2.6005 no . 1_465
H36C H21C 3.3297 no . 1_465
H36C H22B 3.5444 no . 1_565
H36C H23B 2.9248 no . 1_565
H36C H28C 2.8351 no . 1_565
H37A C25 3.5025 no . 2_675
H37A H23C 3.0822 no . 2_675
H37A H24C 3.5258 no . 2_675
H37A H25C 2.5643 no . 2_675
H37B H20B 3.5160 no . 2_775
H37B H23C 3.5326 no . 2_675
H37B H24B 3.4155 no . 2_775
H37C H20C 3.0717 no . 1_465
H37C H23C 2.7414 no . 2_675
H37C H24C 2.9881 no . 2_675
H37C H25C 3.4596 no . 2_675
H38A C26 3.2345 no . 1_465
H38A H18C 3.4203 no . 1_455
H38A H21C 3.5738 no . 1_465
H38A H26A 2.8757 no . 1_465
H38A H26B 2.8560 no . 1_465
H38A H26C 3.4847 no . 1_465
H38A H31B 2.8993 no . 1_465
H38B H18C 3.1824 no . 1_455
H38B H21C 3.4139 no . 1_465
H38C C31 3.5753 no . 1_465
H38C H21C 2.8727 no . 1_465
H38C H27C 2.8127 no . 1_565
H38C H31B 2.8548 no . 1_465
H39A C39 3.3594 no . 2_676
H39A H29A 3.0070 no . 2_676
H39A H29C 3.5811 no . 2_676
H39A H34A 2.8558 no . 2_676
H39A H39A 2.3932 no . 2_676
H39B C29 3.5634 no . 2_676
H39B H29A 3.2408 no . 2_676
H39B H29C 3.0310 no . 2_676
H39B H31B 3.5325 no . 1_465
H39C C27 3.3876 no . 1_565
H39C C29 3.5693 no . 2_676
H39C H27B 3.2356 no . 1_565
H39C H27C 2.7369 no . 1_565
H39C H29A 2.9825 no . 2_676
H39C H29C 3.2440 no . 2_676
H39C H31B 3.5019 no . 1_465
H39C H31C 3.3729 no . 1_465
H39C H34A 3.1837 no . 2_676
H39C H34B 3.5659 no . 2_676
H40B C33 3.4576 no . 1_655
H40B H32C 3.5623 no . 1_655
H40B H33A 3.3190 no . 1_655
H40B H33C 2.7349 no . 1_655
H40C C26 3.4280 no . 1_565
H40C H26A 3.5015 no . 1_565
H40C H26C 2.6243 no . 1_565
H40C H27C 2.8961 no . 1_565
H40C H33A 3.3059 no . 1_655
H40C H33C 3.2432 no . 1_655

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one
# structure analysis in the CIF.

#==============================================================================
# End of CIF
#==============================================================================


_database_code_depnum_ccdc_archive 'CCDC 928541'
