# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Jian Zhou'
_publ_contact_author_email       jianzhou888888@163.com
_publ_author_name                'Jian Zhou'

data_1
_database_code_depnum_ccdc_archive 'CCDC 825563'
#TrackingRef '1.CIF'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'In6 S21 Sb6, 3(C6 H24 Co N6), (C2 H8 N2), (H2 O)'
_chemical_formula_sum            'C20 H82 Co3 In6 N20 O S21 Sb6'
_chemical_formula_weight         2888.80

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'
S S 0.1246 0.1234 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.762(3)
_cell_length_b                   11.0918(13)
_cell_length_c                   30.006(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.3330(10)
_cell_angle_gamma                90.00
_cell_volume                     8039.9(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.45
_cell_measurement_theta_max      26.55

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5468
_exptl_absorpt_coefficient_mu    4.846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6177
_exptl_absorpt_correction_T_max  0.7597
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23856
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.45
_diffrn_reflns_theta_max         26.55
_reflns_number_total             8313
_reflns_number_gt                7399
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0900P)^2^+5.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8313
_refine_ls_number_parameters     439
_refine_ls_number_restraints     472
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.1340
_refine_ls_wR_factor_gt          0.1299
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

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 0.482369(18) 0.26208(4) 0.306676(15) 0.02956(13) Uani 1 1 d . . .
In2 In 0.532721(17) 0.07592(4) 0.416574(15) 0.02806(12) Uani 1 1 d . . .
In3 In 0.730032(17) 0.14139(4) 0.591540(16) 0.02905(13) Uani 1 1 d . . .
Sb1A Sb 0.62694(8) 0.30048(10) 0.31480(7) 0.0310(4) Uani 0.843(19) 1 d P . .
Sb1B Sb 0.6244(5) 0.327(4) 0.3128(5) 0.074(3) Uani 0.157(19) 1 d P . .
Sb2 Sb 0.675759(16) 0.17333(4) 0.454033(15) 0.02754(12) Uani 1 1 d . . .
Sb3 Sb 0.578864(16) 0.05771(4) 0.547120(14) 0.02597(12) Uani 1 1 d . . .
S1 S 0.69518(8) 0.46009(18) 0.34563(8) 0.0543(6) Uani 1 1 d . . .
S2 S 0.56627(8) 0.36685(19) 0.35671(6) 0.0456(4) Uani 1 1 d . . .
S3 S 0.5000 0.1263(2) 0.2500 0.0426(6) Uani 1 2 d S . .
S4 S 0.41317(8) 0.41016(17) 0.26077(7) 0.0445(4) Uani 1 1 d . . .
S5 S 0.44695(7) 0.14728(19) 0.35896(6) 0.0411(4) Uani 1 1 d . . .
S6 S 0.61622(7) 0.03026(17) 0.39833(6) 0.0368(4) Uani 1 1 d . . .
S7 S 0.74652(7) 0.14954(15) 0.41711(8) 0.0421(4) Uani 1 1 d . . .
S8 S 0.71693(8) 0.02645(15) 0.51811(6) 0.0382(4) Uani 1 1 d . . .
S9 S 0.64674(7) 0.15876(18) 0.61364(6) 0.0410(4) Uani 1 1 d . . .
S10 S 0.49557(7) 0.12141(15) 0.56014(6) 0.0348(4) Uani 1 1 d . . .
S11 S 0.56919(7) 0.21040(14) 0.48707(6) 0.0321(3) Uani 1 1 d . . .
Co1 Co 0.85258(4) -0.13308(8) 0.44201(4) 0.0364(2) Uani 1 1 d . . .
Co2 Co 0.53626(11) -0.22972(19) 0.24934(8) 0.0521(6) Uani 0.50 1 d P . .
N1 N 0.8326(3) -0.2635(8) 0.3856(3) 0.070(2) Uani 1 1 d U . .
H1C H 0.8478 -0.2404 0.3641 0.083 Uiso 1 1 calc R . .
H1D H 0.8473 -0.3351 0.3975 0.083 Uiso 1 1 calc R . .
N2 N 0.7621(2) -0.1408(5) 0.4213(3) 0.0464(14) Uani 1 1 d U . .
H2C H 0.7530 -0.1552 0.4471 0.056 Uiso 1 1 calc R . .
H2D H 0.7476 -0.0690 0.4092 0.056 Uiso 1 1 calc R . .
N3 N 0.9405(3) -0.1396(7) 0.4521(3) 0.0557(17) Uani 1 1 d U . .
H3C H 0.9606 -0.1508 0.4830 0.067 Uiso 1 1 calc R . .
H3D H 0.9474 -0.2007 0.4352 0.067 Uiso 1 1 calc R . .
N4 N 0.8577(3) 0.0139(6) 0.3957(3) 0.0546(16) Uani 1 1 d U . .
H4C H 0.8316 0.0045 0.3667 0.066 Uiso 1 1 calc R . .
H4D H 0.8516 0.0846 0.4077 0.066 Uiso 1 1 calc R . .
N5 N 0.8586(3) -0.0115(5) 0.5002(2) 0.0449(14) Uani 1 1 d U . .
H5C H 0.8850 0.0440 0.5029 0.054 Uiso 1 1 calc R . .
H5D H 0.8262 0.0272 0.4944 0.054 Uiso 1 1 calc R . .
N6 N 0.8616(3) -0.2619(6) 0.4981(3) 0.0518(16) Uani 1 1 d U . .
H6C H 0.8390 -0.3253 0.4869 0.062 Uiso 1 1 calc R . .
H6D H 0.8967 -0.2890 0.5098 0.062 Uiso 1 1 calc R . .
N7 N 0.6019(7) -0.2842(16) 0.2254(7) 0.080(4) Uani 0.50 1 d PDU . .
H7C H 0.5902 -0.2723 0.1938 0.096 Uiso 0.50 1 d PR . .
H7D H 0.6083 -0.3637 0.2306 0.096 Uiso 0.50 1 d PR . .
N8 N 0.5959(8) -0.0838(16) 0.2779(7) 0.081(4) Uani 0.50 1 d PDU . .
H8C H 0.6106 -0.0889 0.3098 0.097 Uiso 0.50 1 d PR . .
H8D H 0.5790 -0.0118 0.2701 0.097 Uiso 0.50 1 d PR . .
C1 C 0.7743(4) -0.2767(12) 0.3626(5) 0.088(3) Uani 1 1 d DU . .
H1A H 0.7665 -0.3618 0.3563 0.106 Uiso 1 1 calc R . .
H1B H 0.7640 -0.2362 0.3321 0.106 Uiso 1 1 calc R . .
C2 C 0.7391(4) -0.2326(11) 0.3869(4) 0.082(3) Uani 1 1 d DU . .
H2A H 0.7054 -0.2016 0.3634 0.099 Uiso 1 1 calc R . .
H2B H 0.7287 -0.3000 0.4026 0.099 Uiso 1 1 calc R . .
C3 C 0.9549(4) -0.0222(10) 0.4353(4) 0.071(2) Uani 1 1 d DU . .
H3A H 0.9587 0.0389 0.4593 0.085 Uiso 1 1 calc R . .
H3B H 0.9901 -0.0296 0.4306 0.085 Uiso 1 1 calc R . .
C4 C 0.9131(4) 0.0147(10) 0.3914(4) 0.073(2) Uani 1 1 d DU . .
H4A H 0.9133 -0.0394 0.3661 0.088 Uiso 1 1 calc R . .
H4B H 0.9214 0.0953 0.3832 0.088 Uiso 1 1 calc R . .
C5 C 0.8719(4) -0.0791(7) 0.5435(3) 0.060(2) Uani 1 1 d DU . .
H5A H 0.8590 -0.0353 0.5656 0.071 Uiso 1 1 calc R . .
H5B H 0.9118 -0.0869 0.5577 0.071 Uiso 1 1 calc R . .
C6 C 0.8470(4) -0.1992(7) 0.5358(3) 0.057(2) Uani 1 1 d DU . .
H6A H 0.8071 -0.1925 0.5264 0.069 Uiso 1 1 calc R . .
H6B H 0.8605 -0.2453 0.5651 0.069 Uiso 1 1 calc R . .
C7 C 0.6559(8) -0.226(2) 0.2498(10) 0.101(5) Uani 0.50 1 d PDU . .
H7A H 0.6760 -0.2221 0.2282 0.121 Uiso 0.50 1 d PR . .
H7B H 0.6785 -0.2655 0.2784 0.121 Uiso 0.50 1 d PR . .
C8 C 0.6435(11) -0.106(2) 0.2620(12) 0.105(6) Uani 0.50 1 d PDU . .
H8A H 0.6763 -0.0682 0.2831 0.126 Uiso 0.50 1 d PR . .
H8B H 0.6321 -0.0613 0.2328 0.126 Uiso 0.50 1 d PR . .
N9 N 0.4801(8) -0.1654(13) 0.2838(6) 0.068(3) Uani 0.50 1 d PDU . .
H9C H 0.4456 -0.1585 0.2624 0.081 Uiso 0.50 1 d PR . .
H9D H 0.4910 -0.0925 0.2969 0.081 Uiso 0.50 1 d PR . .
N10 N 0.5646(9) -0.339(2) 0.3131(8) 0.083(4) Uani 0.50 1 d PDU . .
H10C H 0.6015 -0.3316 0.3272 0.100 Uiso 0.50 1 d PR . .
H10D H 0.5566 -0.4164 0.3053 0.100 Uiso 0.50 1 d PR . .
C9 C 0.4814(8) -0.2537(18) 0.3213(6) 0.072(4) Uani 0.50 1 d PDU . .
H9A H 0.4572 -0.3197 0.3070 0.086 Uiso 0.50 1 d PR . .
H9B H 0.4678 -0.2159 0.3438 0.086 Uiso 0.50 1 d PR . .
C10 C 0.5367(8) -0.298(2) 0.3459(7) 0.072(4) Uani 0.50 1 d PDU . .
H10A H 0.5585 -0.2356 0.3662 0.087 Uiso 0.50 1 d PR . .
H10B H 0.5347 -0.3644 0.3657 0.087 Uiso 0.50 1 d PR . .
N11 N 0.4921(7) -0.1404(13) 0.1832(5) 0.063(3) Uani 0.50 1 d PDU . .
H11C H 0.5161 -0.1165 0.1693 0.075 Uiso 0.50 1 d PR . .
H11D H 0.4755 -0.0743 0.1894 0.075 Uiso 0.50 1 d PR . .
N12 N 0.4784(7) -0.3717(13) 0.2117(5) 0.068(3) Uani 0.50 1 d PDU . .
H12C H 0.4654 -0.4094 0.2322 0.081 Uiso 0.50 1 d PR . .
H12D H 0.4957 -0.4263 0.1995 0.081 Uiso 0.50 1 d PR . .
C11 C 0.4512(10) -0.2220(18) 0.1495(7) 0.081(5) Uani 0.50 1 d PDU . .
H11A H 0.4196 -0.1741 0.1321 0.097 Uiso 0.50 1 d PR . .
H11B H 0.4660 -0.2556 0.1271 0.097 Uiso 0.50 1 d PR . .
C12 C 0.4318(9) -0.314(2) 0.1737(9) 0.079(6) Uani 0.50 1 d PDU . .
H12A H 0.4137 -0.3739 0.1504 0.095 Uiso 0.50 1 d PR . .
H12B H 0.4053 -0.2835 0.1867 0.095 Uiso 0.50 1 d PR . .
N13 N 0.2433(14) 0.106(4) 0.2159(13) 0.219(14) Uani 0.50 1 d PDU A 1
H13C H 0.2317 0.1826 0.2146 0.263 Uiso 0.50 1 d PR A 1
H13D H 0.2563 0.0920 0.1921 0.263 Uiso 0.50 1 d PR A 1
N14 N 0.3618(14) -0.042(3) 0.2441(14) 0.170(9) Uani 0.50 1 d PDU . 1
H14D H 0.3419 -0.0483 0.2129 0.204 Uiso 0.50 1 d PR . 1
H14E H 0.3887 0.0132 0.2483 0.204 Uiso 0.50 1 d PR . 1
C13 C 0.2960(13) 0.107(3) 0.2572(13) 0.181(11) Uani 0.50 1 d PDU A 1
H13A H 0.2863 0.1254 0.2846 0.218 Uiso 0.50 1 d PR A 1
H13B H 0.3214 0.1682 0.2550 0.218 Uiso 0.50 1 d PR A 1
C14 C 0.3251(14) -0.006(3) 0.2704(12) 0.188(11) Uani 0.50 1 d PDU . 1
H14A H 0.2984 -0.0680 0.2682 0.226 Uiso 0.50 1 d PR . 1
H14B H 0.3509 -0.0061 0.3024 0.226 Uiso 0.50 1 d PR . 1
O1 O 0.7991(7) -0.042(3) 0.2896(6) 0.146(11) Uani 0.50 1 d P B 2
H1E H 0.8105 -0.0992 0.2782 0.218 Uiso 0.50 1 d PR B 2
H1F H 0.7945 0.0222 0.2748 0.218 Uiso 0.50 1 d PR B 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
In1 0.0298(2) 0.0345(2) 0.0209(2) 0.00185(16) 0.00444(17) 0.00201(17)
In2 0.0195(2) 0.0400(3) 0.0240(2) 0.00401(17) 0.00677(17) -0.00224(16)
In3 0.0192(2) 0.0323(2) 0.0307(2) 0.00508(17) 0.00239(17) -0.00533(16)
Sb1A 0.0270(5) 0.0228(11) 0.0334(5) 0.0032(2) -0.0022(3) -0.0015(2)
Sb1B 0.028(3) 0.155(9) 0.031(3) -0.002(6) 0.001(2) -0.013(5)
Sb2 0.0217(2) 0.0270(2) 0.0342(2) 0.00492(16) 0.00999(17) -0.00127(15)
Sb3 0.0207(2) 0.0288(2) 0.0264(2) 0.00102(15) 0.00566(16) -0.00218(14)
S1 0.0369(10) 0.0378(10) 0.0613(13) 0.0121(9) -0.0171(9) -0.0083(8)
S2 0.0410(10) 0.0575(11) 0.0310(9) -0.0122(8) 0.0035(8) -0.0087(8)
S3 0.0660(17) 0.0261(11) 0.0439(14) 0.000 0.0294(13) 0.000
S4 0.0481(10) 0.0399(9) 0.0331(9) -0.0023(7) -0.0014(8) 0.0131(8)
S5 0.0237(8) 0.0663(12) 0.0317(9) 0.0145(8) 0.0073(7) 0.0023(8)
S6 0.0235(8) 0.0515(10) 0.0370(9) -0.0090(7) 0.0125(7) -0.0029(7)
S7 0.0360(9) 0.0289(8) 0.0734(13) 0.0075(8) 0.0340(9) 0.0021(7)
S8 0.0443(10) 0.0316(8) 0.0328(9) 0.0050(7) 0.0061(7) 0.0019(7)
S9 0.0259(8) 0.0663(12) 0.0295(8) -0.0076(8) 0.0082(7) -0.0134(8)
S10 0.0247(7) 0.0363(8) 0.0454(10) 0.0052(7) 0.0148(7) -0.0001(6)
S11 0.0345(8) 0.0334(8) 0.0290(8) 0.0023(6) 0.0118(6) -0.0045(6)
Co1 0.0280(5) 0.0325(5) 0.0464(6) -0.0021(4) 0.0099(4) 0.0010(4)
Co2 0.0686(15) 0.0381(11) 0.0395(12) 0.0027(9) 0.0060(10) 0.0056(10)
N1 0.055(4) 0.074(4) 0.078(5) -0.031(4) 0.021(4) 0.003(3)
N2 0.033(3) 0.034(3) 0.068(4) -0.001(3) 0.013(3) 0.001(2)
N3 0.037(3) 0.056(4) 0.068(4) -0.002(3) 0.012(3) 0.003(3)
N4 0.046(3) 0.055(4) 0.069(4) 0.009(3) 0.026(3) 0.005(3)
N5 0.041(3) 0.032(3) 0.058(4) -0.007(3) 0.014(3) 0.000(2)
N6 0.045(3) 0.038(3) 0.061(4) 0.003(3) 0.004(3) -0.001(3)
N7 0.088(8) 0.061(7) 0.083(8) -0.012(6) 0.020(7) 0.004(6)
N8 0.084(7) 0.069(7) 0.076(7) -0.012(6) 0.011(6) 0.010(6)
C1 0.062(5) 0.102(7) 0.101(7) -0.039(6) 0.029(5) -0.027(5)
C2 0.052(5) 0.085(6) 0.099(6) -0.040(5) 0.011(4) -0.005(5)
C3 0.036(4) 0.087(6) 0.087(6) -0.004(5) 0.019(4) -0.019(4)
C4 0.064(5) 0.071(5) 0.094(6) 0.007(5) 0.041(5) -0.001(4)
C5 0.060(5) 0.057(5) 0.048(5) -0.013(4) 0.003(4) -0.001(4)
C6 0.056(5) 0.064(5) 0.045(4) 0.004(4) 0.009(4) -0.008(4)
C7 0.092(9) 0.096(9) 0.100(9) -0.018(8) 0.015(8) 0.004(8)
C8 0.098(11) 0.088(10) 0.111(11) -0.008(10) 0.013(10) -0.026(10)
N9 0.090(7) 0.051(6) 0.055(6) -0.005(5) 0.015(6) -0.010(6)
N10 0.095(8) 0.065(7) 0.070(8) 0.006(6) 0.005(7) 0.006(7)
C9 0.088(9) 0.074(8) 0.057(8) 0.011(7) 0.029(7) -0.012(8)
C10 0.085(9) 0.073(9) 0.060(8) 0.014(7) 0.027(7) 0.003(8)
N11 0.074(7) 0.043(6) 0.060(7) 0.007(5) 0.010(6) -0.015(6)
N12 0.084(7) 0.042(6) 0.063(7) 0.003(5) 0.006(6) -0.001(6)
C11 0.092(10) 0.055(9) 0.077(10) -0.002(8) 0.005(9) -0.020(8)
C12 0.094(10) 0.056(9) 0.069(10) -0.004(8) 0.005(9) -0.019(8)
N13 0.17(2) 0.23(2) 0.20(2) 0.00(2) -0.01(2) 0.00(2)
N14 0.149(15) 0.152(15) 0.167(16) -0.014(14) 0.000(13) -0.029(14)
C13 0.155(19) 0.179(19) 0.173(19) -0.012(17) 0.009(16) -0.025(17)
C14 0.163(19) 0.187(19) 0.178(19) -0.022(18) 0.012(16) -0.022(17)
O1 0.068(11) 0.31(3) 0.063(11) 0.002(15) 0.026(9) -0.056(16)

_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
In1 S3 2.4299(15) . ?
In1 S5 2.4310(18) . ?
In1 S2 2.4538(18) . ?
In1 S4 2.4630(18) . ?
In2 S5 2.4173(17) . ?
In2 S6 2.4500(17) . ?
In2 S10 2.4827(17) 5_656 ?
In2 S11 2.4901(17) . ?
In3 S7 2.4329(17) 7_656 ?
In3 S1 2.4512(18) 7_656 ?
In3 S9 2.4637(18) . ?
In3 S8 2.4652(18) . ?
Sb1A Sb1B 0.30(4) . ?
Sb1A S2 2.435(3) . ?
Sb1A S1 2.439(2) . ?
Sb1A S4 2.462(2) 2_655 ?
Sb1B S4 2.27(2) 2_655 ?
Sb1B S1 2.29(2) . ?
Sb1B S2 2.354(15) . ?
Sb2 S6 2.4254(17) . ?
Sb2 S7 2.4542(18) . ?
Sb2 S8 2.4613(17) . ?
Sb3 S10 2.4165(17) . ?
Sb3 S11 2.4218(16) . ?
Sb3 S9 2.4233(17) . ?
S1 In3 2.4512(18) 7_656 ?
S3 In1 2.4299(15) 2_655 ?
S4 Sb1B 2.27(2) 2_655 ?
S4 Sb1A 2.462(2) 2_655 ?
S7 In3 2.4329(17) 7_656 ?
S10 In2 2.4827(17) 5_656 ?
Co1 N1 2.149(7) . ?
Co1 N6 2.158(7) . ?
Co1 N5 2.168(6) . ?
Co1 N4 2.177(7) . ?
Co1 N3 2.179(7) . ?
Co1 N2 2.197(6) . ?
Co2 N9 1.176(17) 2_655 ?
Co2 Co2 1.882(5) 2_655 ?
Co2 C9 2.024(17) 2_655 ?
Co2 N12 2.073(17) 2_655 ?
Co2 N7 2.141(19) . ?
Co2 N11 2.155(15) . ?
Co2 N10 2.16(3) . ?
Co2 N9 2.171(18) . ?
Co2 N8 2.190(19) . ?
Co2 N12 2.192(15) . ?
Co2 C12 2.36(3) 2_655 ?
N1 C1 1.425(13) . ?
N1 H1C 0.9000 . ?
N1 H1D 0.9000 . ?
N2 C2 1.423(11) . ?
N2 H2C 0.9000 . ?
N2 H2D 0.9000 . ?
N3 C3 1.489(12) . ?
N3 H3C 0.9000 . ?
N3 H3D 0.9000 . ?
N4 C4 1.476(12) . ?
N4 H4C 0.9000 . ?
N4 H4D 0.9000 . ?
N5 C5 1.435(11) . ?
N5 H5C 0.9000 . ?
N5 H5D 0.9000 . ?
N6 C6 1.484(12) . ?
N6 H6C 0.9000 . ?
N6 H6D 0.9000 . ?
N7 C7 1.477(13) . ?
N7 H7C 0.8999 . ?
N7 H7D 0.9000 . ?
N8 C8 1.483(13) . ?
N8 N14 1.53(4) 2_655 ?
N8 H8C 0.8999 . ?
N8 H8D 0.9000 . ?
C1 C2 1.434(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.440(9) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.462(9) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.443(11) . ?
C7 H7A 0.9601 . ?
C7 H7B 0.9600 . ?
C8 N14 0.74(4) 2_655 ?
C8 C14 1.84(5) 2_655 ?
C8 H8A 0.9602 . ?
C8 H8B 0.9602 . ?
N9 N11 1.038(19) 2_655 ?
N9 Co2 1.176(17) 2_655 ?
N9 C9 1.483(12) . ?
N9 H9C 0.8999 . ?
N9 H9D 0.9001 . ?
N10 C12 0.46(3) 2_655 ?
N10 N12 1.16(3) 2_655 ?
N10 C10 1.478(13) . ?
N10 C11 1.85(3) 2_655 ?
N10 H10C 0.8999 . ?
N10 H10D 0.8999 . ?
C9 C10 1.444(10) . ?
C9 N11 1.46(2) 2_655 ?
C9 C11 1.69(3) 2_655 ?
C9 Co2 2.024(17) 2_655 ?
C9 H9A 0.9600 . ?
C9 H9B 0.9599 . ?
C10 C11 0.89(3) 2_655 ?
C10 C12 1.17(4) 2_655 ?
C10 N12 1.83(3) 2_655 ?
C10 H10A 0.9600 . ?
C10 H10B 0.9601 . ?
N11 N9 1.038(19) 2_655 ?
N11 C9 1.46(2) 2_655 ?
N11 C11 1.487(12) . ?
N11 H11C 0.8996 . ?
N11 H11D 0.9003 . ?
N12 N10 1.16(3) 2_655 ?
N12 C12 1.482(13) . ?
N12 C10 1.83(3) 2_655 ?
N12 Co2 2.073(17) 2_655 ?
N12 H12C 0.9003 . ?
N12 H12D 0.8998 . ?
C11 C10 0.89(3) 2_655 ?
C11 C12 1.439(11) . ?
C11 C9 1.69(3) 2_655 ?
C11 N10 1.85(3) 2_655 ?
C11 H11A 0.9599 . ?
C11 H11B 0.9598 . ?
C12 N10 0.46(3) 2_655 ?
C12 C10 1.17(4) 2_655 ?
C12 Co2 2.36(3) 2_655 ?
C12 H12A 0.9599 . ?
C12 H12B 0.9599 . ?
N13 C13 1.484(13) . ?
N13 H13C 0.9000 . ?
N13 H13D 0.9002 . ?
N14 C8 0.74(4) 2_655 ?
N14 C14 1.484(13) . ?
N14 N8 1.53(4) 2_655 ?
N14 H14D 0.9001 . ?
N14 H14E 0.9001 . ?
C13 C14 1.443(11) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C14 C8 1.84(5) 2_655 ?
C14 H14A 0.9599 . ?
C14 H14B 0.9598 . ?
O1 H1E 0.8223 . ?
O1 H1F 0.8257 . ?

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
_geom_angle_publ_flag
S3 In1 S5 109.28(7) . . ?
S3 In1 S2 112.49(5) . . ?
S5 In1 S2 107.56(7) . . ?
S3 In1 S4 107.28(5) . . ?
S5 In1 S4 110.43(7) . . ?
S2 In1 S4 109.81(7) . . ?
S5 In2 S6 124.28(6) . . ?
S5 In2 S10 101.84(6) . 5_656 ?
S6 In2 S10 104.30(6) . 5_656 ?
S5 In2 S11 113.12(7) . . ?
S6 In2 S11 102.25(6) . . ?
S10 In2 S11 110.49(6) 5_656 . ?
S7 In3 S1 111.21(7) 7_656 7_656 ?
S7 In3 S9 103.06(6) 7_656 . ?
S1 In3 S9 110.74(8) 7_656 . ?
S7 In3 S8 111.07(7) 7_656 . ?
S1 In3 S8 106.07(7) 7_656 . ?
S9 In3 S8 114.80(6) . . ?
Sb1B Sb1A S2 71(3) . . ?
Sb1B Sb1A S1 57(2) . . ?
S2 Sb1A S1 95.29(10) . . ?
Sb1B Sb1A S4 49(3) . 2_655 ?
S2 Sb1A S4 100.77(9) . 2_655 ?
S1 Sb1A S4 90.41(8) . 2_655 ?
Sb1A Sb1B S4 125(3) . 2_655 ?
Sb1A Sb1B S1 117(3) . . ?
S4 Sb1B S1 99.4(13) 2_655 . ?
Sb1A Sb1B S2 102(3) . . ?
S4 Sb1B S2 109.2(11) 2_655 . ?
S1 Sb1B S2 101.8(9) . . ?
S6 Sb2 S7 90.55(6) . . ?
S6 Sb2 S8 95.91(6) . . ?
S7 Sb2 S8 95.47(7) . . ?
S10 Sb3 S11 92.77(6) . . ?
S10 Sb3 S9 99.14(6) . . ?
S11 Sb3 S9 98.49(6) . . ?
Sb1B S1 In3 109.4(9) . 7_656 ?
Sb1A S1 In3 103.22(8) . 7_656 ?
Sb1B S2 In1 99.5(4) . . ?
Sb1A S2 In1 97.35(8) . . ?
In1 S3 In1 103.37(9) 2_655 . ?
Sb1B S4 In1 104.7(7) 2_655 . ?
Sb1A S4 In1 100.15(7) 2_655 . ?
In2 S5 In1 100.26(6) . . ?
Sb2 S6 In2 96.02(6) . . ?
In3 S7 Sb2 101.34(6) 7_656 . ?
Sb2 S8 In3 104.11(6) . . ?
Sb3 S9 In3 100.89(7) . . ?
Sb3 S10 In2 98.73(6) . 5_656 ?
Sb3 S11 In2 97.13(6) . . ?
N1 Co1 N6 95.8(3) . . ?
N1 Co1 N5 169.5(3) . . ?
N6 Co1 N5 80.0(3) . . ?
N1 Co1 N4 93.0(3) . . ?
N6 Co1 N4 168.6(3) . . ?
N5 Co1 N4 92.6(3) . . ?
N1 Co1 N3 92.3(3) . . ?
N6 Co1 N3 92.6(3) . . ?
N5 Co1 N3 97.4(3) . . ?
N4 Co1 N3 79.8(3) . . ?
N1 Co1 N2 79.1(3) . . ?
N6 Co1 N2 90.7(3) . . ?
N5 Co1 N2 91.4(2) . . ?
N4 Co1 N2 98.2(3) . . ?
N3 Co1 N2 171.0(3) . . ?
N9 Co2 Co2 87.2(9) 2_655 2_655 ?
N9 Co2 C9 46.4(8) 2_655 2_655 ?
Co2 Co2 C9 99.1(5) 2_655 2_655 ?
N9 Co2 N12 148.8(10) 2_655 2_655 ?
Co2 Co2 N12 67.1(5) 2_655 2_655 ?
C9 Co2 N12 118.2(7) 2_655 2_655 ?
N9 Co2 N7 88.9(10) 2_655 . ?
Co2 Co2 N7 155.8(5) 2_655 . ?
C9 Co2 N7 61.8(7) 2_655 . ?
N12 Co2 N7 107.1(7) 2_655 . ?
N9 Co2 N11 12.5(9) 2_655 . ?
Co2 Co2 N11 79.0(5) 2_655 . ?
C9 Co2 N11 40.7(7) 2_655 . ?
N12 Co2 N11 136.6(6) 2_655 . ?
N7 Co2 N11 92.7(7) . . ?
N9 Co2 N10 176.0(9) 2_655 . ?
Co2 Co2 N10 90.8(6) 2_655 . ?
C9 Co2 N10 137.4(8) 2_655 . ?
N12 Co2 N10 31.7(8) 2_655 . ?
N7 Co2 N10 94.3(8) . . ?
N11 Co2 N10 168.2(8) . . ?
N9 Co2 N9 95.8(9) 2_655 . ?
Co2 Co2 N9 32.8(5) 2_655 . ?
C9 Co2 N9 126.7(7) 2_655 . ?
N12 Co2 N9 72.4(6) 2_655 . ?
N7 Co2 N9 170.9(7) . . ?
N11 Co2 N9 93.5(7) . . ?
N10 Co2 N9 80.7(7) . . ?
N9 Co2 N8 83.0(10) 2_655 . ?
Co2 Co2 N8 123.9(5) 2_655 . ?
C9 Co2 N8 112.2(8) 2_655 . ?
N12 Co2 N8 125.6(6) 2_655 . ?
N7 Co2 N8 79.1(6) . . ?
N11 Co2 N8 95.4(6) . . ?
N10 Co2 N8 95.2(8) . . ?
N9 Co2 N8 93.7(6) . . ?
N9 Co2 N12 91.2(9) 2_655 . ?
Co2 Co2 N12 60.6(5) 2_655 . ?
C9 Co2 N12 60.1(7) 2_655 . ?
N12 Co2 N12 61.3(8) 2_655 . ?
N7 Co2 N12 95.7(7) . . ?
N11 Co2 N12 79.0(5) . . ?
N10 Co2 N12 90.9(8) . . ?
N9 Co2 N12 92.0(7) . . ?
N8 Co2 N12 172.3(7) . . ?
N9 Co2 C12 165.6(8) 2_655 2_655 ?
Co2 Co2 C12 89.4(6) 2_655 2_655 ?
C9 Co2 C12 147.9(7) 2_655 2_655 ?
N12 Co2 C12 38.4(5) 2_655 2_655 ?
N7 Co2 C12 99.7(8) . 2_655 ?
N11 Co2 C12 167.6(8) . 2_655 ?
N10 Co2 C12 10.6(8) . 2_655 ?
N9 Co2 C12 74.2(7) . 2_655 ?
N8 Co2 C12 87.2(8) . 2_655 ?
N12 Co2 C12 99.4(8) . 2_655 ?
C1 N1 Co1 112.0(6) . . ?
C1 N1 H1C 109.2 . . ?
Co1 N1 H1C 109.2 . . ?
C1 N1 H1D 109.2 . . ?
Co1 N1 H1D 109.2 . . ?
H1C N1 H1D 107.9 . . ?
C2 N2 Co1 111.5(5) . . ?
C2 N2 H2C 109.3 . . ?
Co1 N2 H2C 109.3 . . ?
C2 N2 H2D 109.3 . . ?
Co1 N2 H2D 109.3 . . ?
H2C N2 H2D 108.0 . . ?
C3 N3 Co1 107.1(5) . . ?
C3 N3 H3C 110.3 . . ?
Co1 N3 H3C 110.3 . . ?
C3 N3 H3D 110.3 . . ?
Co1 N3 H3D 110.3 . . ?
H3C N3 H3D 108.6 . . ?
C4 N4 Co1 109.5(5) . . ?
C4 N4 H4C 109.8 . . ?
Co1 N4 H4C 109.8 . . ?
C4 N4 H4D 109.8 . . ?
Co1 N4 H4D 109.8 . . ?
H4C N4 H4D 108.2 . . ?
C5 N5 Co1 109.4(5) . . ?
C5 N5 H5C 109.8 . . ?
Co1 N5 H5C 109.8 . . ?
C5 N5 H5D 109.8 . . ?
Co1 N5 H5D 109.8 . . ?
H5C N5 H5D 108.2 . . ?
C6 N6 Co1 107.3(5) . . ?
C6 N6 H6C 110.3 . . ?
Co1 N6 H6C 110.3 . . ?
C6 N6 H6D 110.3 . . ?
Co1 N6 H6D 110.3 . . ?
H6C N6 H6D 108.5 . . ?
C7 N7 Co2 115.4(14) . . ?
C7 N7 H7C 111.7 . . ?
Co2 N7 H7C 107.4 . . ?
C7 N7 H7D 105.0 . . ?
Co2 N7 H7D 109.7 . . ?
H7C N7 H7D 107.4 . . ?
C8 N8 Co2 107.2(13) . . ?
N14 N8 Co2 124.3(18) 2_655 . ?
C8 N8 H8C 104.1 . . ?
N14 N8 H8C 112.2 2_655 . ?
Co2 N8 H8C 110.4 . . ?
C8 N8 H8D 116.3 . . ?
N14 N8 H8D 88.3 2_655 . ?
Co2 N8 H8D 110.2 . . ?
H8C N8 H8D 108.5 . . ?
N1 C1 C2 117.7(9) . . ?
N1 C1 H1A 107.9 . . ?
C2 C1 H1A 107.9 . . ?
N1 C1 H1B 107.9 . . ?
C2 C1 H1B 107.9 . . ?
H1A C1 H1B 107.2 . . ?
N2 C2 C1 115.8(9) . . ?
N2 C2 H2A 108.3 . . ?
C1 C2 H2A 108.3 . . ?
N2 C2 H2B 108.3 . . ?
C1 C2 H2B 108.3 . . ?
H2A C2 H2B 107.4 . . ?
C4 C3 N3 111.3(8) . . ?
C4 C3 H3A 109.4 . . ?
N3 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
N3 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C3 C4 N4 111.0(8) . . ?
C3 C4 H4A 109.4 . . ?
N4 C4 H4A 109.4 . . ?
C3 C4 H4B 109.4 . . ?
N4 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
N5 C5 C6 112.3(7) . . ?
N5 C5 H5A 109.1 . . ?
C6 C5 H5A 109.1 . . ?
N5 C5 H5B 109.1 . . ?
C6 C5 H5B 109.1 . . ?
H5A C5 H5B 107.9 . . ?
C5 C6 N6 109.5(7) . . ?
C5 C6 H6A 109.8 . . ?
N6 C6 H6A 109.8 . . ?
C5 C6 H6B 109.8 . . ?
N6 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
C8 C7 N7 105.9(18) . . ?
C8 C7 H7A 110.5 . . ?
N7 C7 H7A 108.8 . . ?
C8 C7 H7B 108.3 . . ?
N7 C7 H7B 114.6 . . ?
H7A C7 H7B 108.8 . . ?
N14 C8 C7 150(5) 2_655 . ?
N14 C8 N8 79(3) 2_655 . ?
C7 C8 N8 121(2) . . ?
N14 C8 C14 50(3) 2_655 2_655 ?
C7 C8 C14 104(2) . 2_655 ?
N8 C8 C14 129(2) . 2_655 ?
N14 C8 H8A 77.4 2_655 . ?
C7 C8 H8A 110.5 . . ?
N8 C8 H8A 110.5 . . ?
C14 C8 H8A 68.5 2_655 . ?
C7 C8 H8B 105.8 . . ?
N8 C8 H8B 100.5 . . ?
H8A C8 H8B 107.0 . . ?
N11 N9 Co2 153.4(19) 2_655 2_655 ?
N11 N9 C9 68.1(14) 2_655 . ?
Co2 N9 C9 98.5(13) 2_655 . ?
N11 N9 Co2 100.8(16) 2_655 . ?
Co2 N9 Co2 60.0(8) 2_655 . ?
C9 N9 Co2 107.5(12) . . ?
N11 N9 H9C 147.2 2_655 . ?
Co2 N9 H9C 58.2 2_655 . ?
C9 N9 H9C 110.7 . . ?
Co2 N9 H9C 110.1 . . ?
N11 N9 H9D 48.4 2_655 . ?
Co2 N9 H9D 151.5 2_655 . ?
C9 N9 H9D 110.0 . . ?
Co2 N9 H9D 110.1 . . ?
H9C N9 H9D 108.5 . . ?
C12 N10 N12 127(5) 2_655 2_655 ?
N12 N10 C10 87.0(19) 2_655 . ?
N12 N10 C11 104.4(19) 2_655 2_655 ?
C12 N10 Co2 110(7) 2_655 . ?
N12 N10 Co2 69.8(14) 2_655 . ?
C10 N10 Co2 109.0(15) . . ?
C11 N10 Co2 93.9(12) 2_655 . ?
C12 N10 H10C 71.5 2_655 . ?
N12 N10 H10C 161.4 2_655 . ?
C10 N10 H10C 109.8 . . ?
C11 N10 H10C 94.2 2_655 . ?
Co2 N10 H10C 110.2 . . ?
C12 N10 H10D 138.4 2_655 . ?
N12 N10 H10D 56.5 2_655 . ?
C10 N10 H10D 110.4 . . ?
C11 N10 H10D 138.7 2_655 . ?
Co2 N10 H10D 109.2 . . ?
H10C N10 H10D 108.3 . . ?
C10 C9 N11 85.8(15) . 2_655 ?
C10 C9 N9 111.7(16) . . ?
N11 C9 C11 55.8(9) 2_655 2_655 ?
N9 C9 C11 90.2(14) . 2_655 ?
C10 C9 Co2 113.8(14) . 2_655 ?
N11 C9 Co2 74.4(9) 2_655 2_655 ?
C11 C9 Co2 109.3(12) 2_655 2_655 ?
C10 C9 H9A 110.1 . . ?
N11 C9 H9A 150.2 2_655 . ?
N9 C9 H9A 109.0 . . ?
C11 C9 H9A 141.4 2_655 . ?
Co2 C9 H9A 76.0 2_655 . ?
C10 C9 H9B 108.8 . . ?
N11 C9 H9B 89.2 2_655 . ?
N9 C9 H9B 109.2 . . ?
C11 C9 H9B 96.0 2_655 . ?
Co2 C9 H9B 132.6 2_655 . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C12 87(3) 2_655 2_655 ?
C11 C10 C9 89(2) 2_655 . ?
C12 C10 C9 122(2) 2_655 . ?
C11 C10 N10 99(3) 2_655 . ?
C9 C10 N10 112.6(18) . . ?
C11 C10 N12 121(2) 2_655 2_655 ?
C12 C10 N12 53.9(11) 2_655 2_655 ?
C9 C10 N12 79.6(15) . 2_655 ?
C12 C10 H10A 94.5 2_655 . ?
C9 C10 H10A 109.7 . . ?
N10 C10 H10A 109.3 . . ?
N12 C10 H10A 143.8 2_655 . ?
C11 C10 H10B 136.4 2_655 . ?
C12 C10 H10B 112.7 2_655 . ?
C9 C10 H10B 108.8 . . ?
N10 C10 H10B 108.5 . . ?
N12 C10 H10B 101.4 2_655 . ?
H10A C10 H10B 107.8 . . ?
N9 N11 C9 70.6(13) 2_655 2_655 ?
N9 N11 C11 125.2(17) 2_655 . ?
C9 N11 C11 70.0(14) 2_655 . ?
C9 N11 Co2 64.8(9) 2_655 . ?
C11 N11 Co2 111.6(11) . . ?
N9 N11 H11C 99.4 2_655 . ?
C9 N11 H11C 77.9 2_655 . ?
C11 N11 H11C 107.7 . . ?
Co2 N11 H11C 109.6 . . ?
N9 N11 H11D 104.0 2_655 . ?
C9 N11 H11D 172.8 2_655 . ?
C11 N11 H11D 111.1 . . ?
Co2 N11 H11D 108.7 . . ?
H11C N11 H11D 108.0 . . ?
N10 N12 C10 53.8(11) 2_655 2_655 ?
N10 N12 Co2 78.5(16) 2_655 2_655 ?
C12 N12 Co2 81.3(15) . 2_655 ?
C10 N12 Co2 99.9(10) 2_655 2_655 ?
N10 N12 Co2 115.5(16) 2_655 . ?
C12 N12 Co2 108.1(13) . . ?
C10 N12 Co2 92.8(9) 2_655 . ?
Co2 N12 Co2 52.3(4) 2_655 . ?
N10 N12 H12C 95.0 2_655 . ?
C12 N12 H12C 109.4 . . ?
C10 N12 H12C 148.0 2_655 . ?
Co2 N12 H12C 77.5 2_655 . ?
Co2 N12 H12C 109.2 . . ?
N10 N12 H12D 116.7 2_655 . ?
C12 N12 H12D 111.1 . . ?
C10 N12 H12D 83.7 2_655 . ?
Co2 N12 H12D 162.3 2_655 . ?
Co2 N12 H12D 110.5 . . ?
H12C N12 H12D 108.5 . . ?
C10 C11 C12 54(2) 2_655 . ?
C10 C11 N11 110(2) 2_655 . ?
C12 C11 N11 112.2(17) . . ?
C10 C11 C9 58.7(19) 2_655 2_655 ?
C12 C11 C9 93.7(17) . 2_655 ?
N11 C11 C9 54.3(11) . 2_655 ?
C10 C11 N10 52.1(17) 2_655 2_655 ?
N11 C11 N10 105.5(14) . 2_655 ?
C9 C11 N10 86.7(14) 2_655 2_655 ?
C10 C11 H11A 142.2 2_655 . ?
C12 C11 H11A 106.9 . . ?
N11 C11 H11A 107.5 . . ?
C9 C11 H11A 157.3 2_655 . ?
N10 C11 H11A 113.2 2_655 . ?
C10 C11 H11B 62.3 2_655 . ?
C12 C11 H11B 111.8 . . ?
N11 C11 H11B 110.6 . . ?
C9 C11 H11B 72.1 2_655 . ?
N10 C11 H11B 112.3 2_655 . ?
H11A C11 H11B 107.6 . . ?
N10 C12 C10 124(5) 2_655 2_655 ?
N10 C12 C11 148(5) 2_655 . ?
C10 C12 N12 86.4(18) 2_655 . ?
C11 C12 N12 111.3(17) . . ?
N10 C12 Co2 60(7) 2_655 2_655 ?
C10 C12 Co2 111.4(17) 2_655 2_655 ?
C11 C12 Co2 98.5(16) . 2_655 ?
N12 C12 Co2 60.3(12) . 2_655 ?
N10 C12 H12A 96.8 2_655 . ?
C10 C12 H12A 89.2 2_655 . ?
C11 C12 H12A 106.8 . . ?
N12 C12 H12A 108.8 . . ?
Co2 C12 H12A 154.7 2_655 . ?
N10 C12 H12B 79.5 2_655 . ?
C10 C12 H12B 150.1 2_655 . ?
C11 C12 H12B 112.1 . . ?
N12 C12 H12B 109.9 . . ?
Co2 C12 H12B 61.1 2_655 . ?
H12A C12 H12B 107.8 . . ?
C13 N13 H13C 102.8 . . ?
C13 N13 H13D 100.4 . . ?
H13C N13 H13D 109.5 . . ?
C8 N14 C14 107(5) 2_655 . ?
C8 N14 N8 72(3) 2_655 2_655 ?
C14 N14 N8 174(3) . 2_655 ?
C8 N14 H14D 71.3 2_655 . ?
C14 N14 H14D 109.5 . . ?
N8 N14 H14D 76.3 2_655 . ?
C8 N14 H14E 139.5 2_655 . ?
C14 N14 H14E 110.0 . . ?
N8 N14 H14E 68.8 2_655 . ?
H14D N14 H14E 109.5 . . ?
C14 C13 N13 117.2(13) . . ?
C14 C13 H13A 102.2 . . ?
N13 C13 H13A 106.4 . . ?
C14 C13 H13B 109.1 . . ?
N13 C13 H13B 113.6 . . ?
H13A C13 H13B 107.3 . . ?
C13 C14 N14 117.1(13) . . ?
C13 C14 C8 131(2) . 2_655 ?
C13 C14 H14A 108.4 . . ?
N14 C14 H14A 110.0 . . ?
C8 C14 H14A 87.9 2_655 . ?
C13 C14 H14B 113.2 . . ?
N14 C14 H14B 100.5 . . ?
C8 C14 H14B 104.2 2_655 . ?
H14A C14 H14B 107.3 . . ?
H1E O1 H1F 116.4 . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.55
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.944
_refine_diff_density_min         -1.351
_refine_diff_density_rms         0.165