# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2008


data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'G Reid'
_publ_contact_author_email       GR@SOTON.AC.UK

_publ_section_title              
;
Preparation and properties of sterically demanding and
chiral distibine ligands
;
loop_
_publ_author_name
'G Reid'
'Marek Jura'
'W Levason'

# Attachment 'Sb_all3_2.txt'

# Manuscript ref.: B808493A
# Title: Preparation and properties of sterically demanding
# and chiral distibine ligands
# Authors: M. Jura, W. Levason, G. Reid, M Webster
# Journal: Dalton Trans.
# CCDC ref. no(s).: 688589-688591
# DOI:
#
##############################################################################
### CIF submission form for molecular structure report ###
### Version: 2.0.2 (6 July 1998). (Updated 20-Apr-2005) ###
##############################################################################

# This is an electronic "form" for submitting structural details as a
# Crystallographic Information File (CIF).
# Full details of the format of such files are given in the paper "The
# Crystallographic Information File (CIF): a New Standard Archive File for
# Crystallography" by S. R. Hall, F. H. Allen and I. D. Brown [Acta Cryst.
# (1991), A47, 655-685].
#
# The current version of the core CIF dictionary is obtainable from
# www.iucr.org as a pdf file. The current version number is 2.3.
#
# CIFs can be checked for legal syntax and possible errors (ALERTS) by
# using checkcif software.
# See the web (http://journals.iucr.org/services/cif/checkcif.html).
# The website http://checkcif.iucr.org produces o/p in pdf format.
#
#==============================================================================

data_07mj004_[C28H36O4Sb4]
_database_code_depnum_ccdc_archive 'CCDC 688589'

_audit_creation_method           'SHELXL-97 + hand edit'
_audit_creation_date             2008-06-20
_audit_author_name               'Webster, M.'
_audit_update_record             
; 2008-06-20 revised (improved) disorder treatment of 1 naphthyl group.
;

_chemical_name_systematic        
;
bis((1,8-bis(dimethylstibino)naphthalene)di(\m~3~-oxido))
;

# Name? bis(1,8-bis(dimethylstibino)naphthalene)tetra(\m~3~-oxido)

_chemical_name_common            
bis((1,8-bis(dimethylstibino)naphthalene)di(mu!3$-oxido))
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H36 O4 Sb4'
_chemical_formula_sum            'C28 H36 O4 Sb4'
_chemical_formula_structural     '(C14 H18 Sb2)2 O4'
_chemical_formula_weight         923.57

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'
Sb Sb -0.5866 1.5461 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_symmetry_Int_Tables_number      62 # Superceded **
_symmetry_space_group_name_Hall  '-P 2ac 2n' # Superceded **

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

_cell_length_a                   20.032(2)
_cell_length_b                   13.1268(10)
_cell_length_c                   10.7375(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2823.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    3592
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1760
_exptl_absorpt_coefficient_mu    3.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6765 #
_exptl_absorpt_correction_T_max  1.0000 #
_exptl_absorpt_process_details   
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23985
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.59
_diffrn_reflns_theta_max         27.50
_reflns_number_total             3358
_reflns_number_gt                3114
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_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     
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+26.4000P] 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         3358
_refine_ls_number_parameters     233
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0494
_refine_ls_wR_factor_ref         0.1053
_refine_ls_wR_factor_gt          0.1035
_refine_ls_goodness_of_fit_ref   1.376
_refine_ls_restrained_S_all      1.375
_refine_ls_shift/su_max          0.000
_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
Sb1 Sb 0.33397(3) 0.2500 0.78926(6) 0.02872(16) Uani 1 2 d S . .
Sb2 Sb 0.20132(3) 0.2500 0.61873(6) 0.03587(18) Uani 1 2 d S . .
Sb3 Sb 0.33516(3) 0.12612(4) 0.51846(5) 0.04081(16) Uani 1 1 d . . .
O1 O 0.2756(2) 0.1484(4) 0.6802(4) 0.0321(10) Uani 1 1 d . . .
O2 O 0.2716(3) 0.2500 0.4726(6) 0.0303(15) Uani 1 2 d S . .
O3 O 0.3809(3) 0.2500 0.6133(6) 0.0350(16) Uani 1 2 d S . .
C1 C 0.2589(5) 0.2500 0.9329(10) 0.037(2) Uani 1 2 d S . .
C2 C 0.2862(5) 0.2500 1.0521(10) 0.042(3) Uani 1 2 d S . .
H2 H 0.3334 0.2500 1.0614 0.050 Uiso 1 2 calc SR . .
C3 C 0.2457(6) 0.2500 1.1593(11) 0.045(3) Uani 1 2 d S . .
H3 H 0.2654 0.2500 1.2397 0.053 Uiso 1 2 calc SR . .
C4 C 0.1786(6) 0.2500 1.1472(11) 0.046(3) Uani 1 2 d S . .
H4 H 0.1515 0.2500 1.2198 0.055 Uiso 1 2 calc SR . .
C5 C 0.1476(5) 0.2500 1.0284(10) 0.039(2) Uani 1 2 d S . .
C6 C 0.0777(5) 0.2500 1.0180(12) 0.042(3) Uani 1 2 d S . .
H6 H 0.0512 0.2500 1.0914 0.051 Uiso 1 2 calc SR . .
C7 C 0.0478(5) 0.2500 0.9062(12) 0.047(3) Uani 1 2 d S . .
H7 H 0.0004 0.2500 0.9012 0.057 Uiso 1 2 calc SR . .
C8 C 0.0859(5) 0.2500 0.7966(11) 0.042(3) Uani 1 2 d S . .
H8 H 0.0637 0.2500 0.7185 0.050 Uiso 1 2 calc SR . .
C9 C 0.1555(5) 0.2500 0.7991(10) 0.039(2) Uani 1 2 d S . .
C10 C 0.1890(5) 0.2500 0.9186(10) 0.033(2) Uani 1 2 d S . .
C11 C 0.3950(4) 0.1317(6) 0.8621(7) 0.0390(17) Uani 1 1 d . . .
H11A H 0.3725 0.0661 0.8511 0.058 Uiso 1 1 calc R . .
H11B H 0.4028 0.1437 0.9510 0.058 Uiso 1 1 calc R . .
H11C H 0.4378 0.1309 0.8179 0.058 Uiso 1 1 calc R . .
C12 C 0.1427(4) 0.1330(9) 0.5389(9) 0.063(3) Uani 1 1 d . . .
H12A H 0.1456 0.1369 0.4480 0.095 Uiso 1 1 calc R . .
H12B H 0.0962 0.1412 0.5649 0.095 Uiso 1 1 calc R . .
H12C H 0.1593 0.0666 0.5670 0.095 Uiso 1 1 calc R . .
C13A C 0.3929(8) 0.1330(10) 0.3623(17) 0.025(4) Uani 0.50 1 d PD . -1
C14A C 0.4112(9) 0.0390(14) 0.3148(17) 0.048(4) Uani 0.50 1 d PD . -1
H14A H 0.3943 -0.0220 0.3505 0.058 Uiso 0.50 1 calc PR . -1
C15A C 0.4548(9) 0.0351(17) 0.2138(17) 0.055(5) Uani 0.50 1 d PD . -1
H15A H 0.4673 -0.0298 0.1823 0.067 Uiso 0.50 1 calc PR . -1
C16A C 0.4810(15) 0.1212(17) 0.157(2) 0.049(7) Uani 0.50 1 d PD . -1
H16A H 0.5100 0.1165 0.0871 0.059 Uiso 0.50 1 calc PR . -1
C17A C 0.4625(7) 0.2152(12) 0.2073(14) 0.043(5) Uani 0.50 1 d PD . -1
C18A C 0.4900(9) 0.3011(16) 0.1505(17) 0.050(5) Uani 0.50 1 d PD . -1
H18A H 0.5206 0.2938 0.0836 0.060 Uiso 0.50 1 calc PR . -1
C19A C 0.4722(16) 0.398(2) 0.193(2) 0.049(7) Uani 0.50 1 d PD . -1
H19A H 0.4898 0.4565 0.1527 0.059 Uiso 0.50 1 calc PR . -1
C20A C 0.4284(9) 0.4087(14) 0.2937(16) 0.044(4) Uani 0.50 1 d PD . -1
H20A H 0.4163 0.4750 0.3212 0.053 Uiso 0.50 1 calc PR . -1
C21A C 0.4026(9) 0.3239(10) 0.3539(19) 0.030(4) Uani 0.50 1 d PD . -1
C22A C 0.4178(6) 0.2260(8) 0.3115(12) 0.025(4) Uani 0.50 1 d PD . -1
C23 C 0.3982(5) 0.0163(7) 0.6039(10) 0.067(3) Uani 1 1 d . . .
H23A H 0.4406 0.0483 0.6270 0.101 Uiso 1 1 calc R . .
H23B H 0.4066 -0.0395 0.5453 0.101 Uiso 1 1 calc R . .
H23C H 0.3763 -0.0107 0.6786 0.101 Uiso 1 1 calc R . .
C24 C 0.2695(6) 0.0191(7) 0.4349(11) 0.074(3) Uani 1 1 d . . .
H24A H 0.2407 -0.0109 0.4990 0.110 Uiso 1 1 calc R . .
H24B H 0.2957 -0.0348 0.3947 0.110 Uiso 1 1 calc R . .
H24C H 0.2419 0.0535 0.3724 0.110 Uiso 1 1 calc R . .

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
Sb1 0.0196(3) 0.0416(4) 0.0249(3) 0.000 -0.0024(2) 0.000
Sb2 0.0212(3) 0.0571(5) 0.0293(3) 0.000 -0.0050(3) 0.000
Sb3 0.0398(3) 0.0432(3) 0.0394(3) -0.0125(2) -0.0108(2) 0.0115(2)
O1 0.029(2) 0.034(3) 0.033(2) 0.002(2) -0.0050(19) -0.003(2)
O2 0.020(3) 0.041(4) 0.030(3) 0.000 -0.005(3) 0.000
O3 0.024(3) 0.054(5) 0.027(3) 0.000 0.001(3) 0.000
C1 0.030(5) 0.054(7) 0.028(5) 0.000 -0.001(4) 0.000
C2 0.029(5) 0.064(8) 0.032(5) 0.000 -0.003(4) 0.000
C3 0.040(6) 0.063(8) 0.031(5) 0.000 0.002(5) 0.000
C4 0.046(6) 0.058(7) 0.034(6) 0.000 0.010(5) 0.000
C5 0.031(5) 0.052(7) 0.033(5) 0.000 0.004(4) 0.000
C6 0.036(5) 0.035(6) 0.056(7) 0.000 0.018(5) 0.000
C7 0.024(5) 0.058(8) 0.059(8) 0.000 0.007(5) 0.000
C8 0.023(5) 0.053(7) 0.049(6) 0.000 0.002(4) 0.000
C9 0.018(4) 0.061(7) 0.038(6) 0.000 -0.002(4) 0.000
C10 0.025(4) 0.040(6) 0.034(5) 0.000 0.002(4) 0.000
C11 0.033(3) 0.050(5) 0.034(4) 0.006(4) -0.006(3) 0.008(3)
C12 0.032(4) 0.107(9) 0.051(5) -0.006(6) -0.010(4) -0.014(5)
C13A 0.023(7) 0.021(9) 0.032(7) -0.012(9) -0.006(6) -0.002(7)
C14A 0.050(11) 0.047(11) 0.047(10) -0.015(10) -0.004(8) 0.005(9)
C15A 0.044(10) 0.074(14) 0.049(12) -0.018(11) -0.005(9) 0.034(11)
C16A 0.026(9) 0.10(2) 0.018(14) 0.001(13) 0.011(10) 0.008(12)
C17A 0.022(6) 0.076(15) 0.032(7) -0.001(7) -0.005(6) -0.005(7)
C18A 0.031(9) 0.085(14) 0.033(9) -0.005(10) -0.001(7) -0.001(9)
C19A 0.051(16) 0.083(18) 0.013(13) -0.007(12) 0.015(10) -0.024(14)
C20A 0.045(10) 0.043(10) 0.046(10) 0.008(9) -0.013(8) -0.009(9)
C21A 0.030(9) 0.016(10) 0.043(10) 0.010(10) -0.009(7) 0.006(8)
C22A 0.020(5) 0.023(14) 0.032(6) 0.003(5) -0.005(5) 0.001(5)
C23 0.081(7) 0.046(5) 0.075(7) -0.019(5) -0.033(6) 0.030(5)
C24 0.092(8) 0.044(5) 0.084(7) -0.031(5) -0.035(6) 0.005(5)

_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
Sb1 O3 2.111(7) . ?
Sb1 C11 2.125(7) . ?
Sb1 C11 2.125(7) 7_565 ?
Sb1 O1 2.125(5) . ?
Sb1 O1 2.125(5) 7_565 ?
Sb1 C1 2.155(10) . ?
Sb1 Sb2 3.2270(9) . ?
Sb2 O1 2.105(5) . ?
Sb2 O1 2.105(5) 7_565 ?
Sb2 O2 2.108(7) . ?
Sb2 C12 2.114(9) . ?
Sb2 C12 2.114(9) 7_565 ?
Sb2 C9 2.143(11) . ?
Sb2 Sb3 3.3154(8) 7_565 ?
Sb2 Sb3 3.3154(8) . ?
Sb3 C13A 2.039(17) . ?
Sb3 O2 2.123(4) . ?
Sb3 C24 2.123(9) . ?
Sb3 C23 2.125(9) . ?
Sb3 O3 2.126(4) . ?
Sb3 O1 2.127(5) . ?
Sb3 C21A 2.319(19) 7_565 ?
Sb3 Sb3 3.2522(11) 7_565 ?
O2 Sb3 2.123(4) 7_565 ?
O3 Sb3 2.126(4) 7_565 ?
C1 C2 1.392(14) . ?
C1 C10 1.409(13) . ?
C2 C3 1.409(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.350(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.419(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.405(15) . ?
C5 C10 1.441(14) . ?
C6 C7 1.343(17) . ?
C6 H6 0.9500 . ?
C7 C8 1.402(16) . ?
C7 H7 0.9500 . ?
C8 C9 1.396(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.447(14) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13A C14A 1.385(15) . ?
C13A C22A 1.427(14) . ?
C14A C15A 1.393(16) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.388(17) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.397(18) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.396(16) . ?
C17A C22A 1.439(15) . ?
C18A C19A 1.393(18) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.403(17) . ?
C19A H19A 0.9500 . ?
C20A C21A 1.388(16) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.398(16) . ?
C21A Sb3 2.319(19) 7_565 ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?

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
O3 Sb1 C11 94.2(2) . . ?
O3 Sb1 C11 94.2(2) . 7_565 ?
C11 Sb1 C11 93.9(4) . 7_565 ?
O3 Sb1 O1 75.61(19) . . ?
C11 Sb1 O1 93.5(3) . . ?
C11 Sb1 O1 167.9(2) 7_565 . ?
O3 Sb1 O1 75.61(19) . 7_565 ?
C11 Sb1 O1 167.9(2) . 7_565 ?
C11 Sb1 O1 93.5(3) 7_565 7_565 ?
O1 Sb1 O1 77.8(3) . 7_565 ?
O3 Sb1 C1 162.2(3) . . ?
C11 Sb1 C1 97.9(3) . . ?
C11 Sb1 C1 97.9(3) 7_565 . ?
O1 Sb1 C1 90.6(2) . . ?
O1 Sb1 C1 90.6(2) 7_565 . ?
O3 Sb1 Sb2 81.87(18) . . ?
C11 Sb1 Sb2 133.0(2) . . ?
C11 Sb1 Sb2 133.0(2) 7_565 . ?
O1 Sb1 Sb2 40.05(13) . . ?
O1 Sb1 Sb2 40.05(13) 7_565 . ?
C1 Sb1 Sb2 80.3(3) . . ?
O1 Sb2 O1 78.7(3) . 7_565 ?
O1 Sb2 O2 76.17(18) . . ?
O1 Sb2 O2 76.17(18) 7_565 . ?
O1 Sb2 C12 93.4(3) . . ?
O1 Sb2 C12 168.5(3) 7_565 . ?
O2 Sb2 C12 94.0(3) . . ?
O1 Sb2 C12 168.5(3) . 7_565 ?
O1 Sb2 C12 93.4(3) 7_565 7_565 ?
O2 Sb2 C12 94.0(3) . 7_565 ?
C12 Sb2 C12 93.2(6) . 7_565 ?
O1 Sb2 C9 91.1(2) . . ?
O1 Sb2 C9 91.1(2) 7_565 . ?
O2 Sb2 C9 163.4(3) . . ?
C12 Sb2 C9 97.4(3) . . ?
C12 Sb2 C9 97.4(3) 7_565 . ?
O1 Sb2 Sb1 40.52(13) . . ?
O1 Sb2 Sb1 40.52(13) 7_565 . ?
O2 Sb2 Sb1 82.66(17) . . ?
C12 Sb2 Sb1 133.4(3) . . ?
C12 Sb2 Sb1 133.4(3) 7_565 . ?
C9 Sb2 Sb1 80.8(3) . . ?
O1 Sb2 Sb3 80.84(13) . 7_565 ?
O1 Sb2 Sb3 38.66(13) 7_565 7_565 ?
O2 Sb2 Sb3 38.57(10) . 7_565 ?
C12 Sb2 Sb3 132.3(3) . 7_565 ?
C12 Sb2 Sb3 87.8(3) 7_565 7_565 ?
C9 Sb2 Sb3 129.8(2) . 7_565 ?
Sb1 Sb2 Sb3 61.207(17) . 7_565 ?
O1 Sb2 Sb3 38.66(13) . . ?
O1 Sb2 Sb3 80.84(13) 7_565 . ?
O2 Sb2 Sb3 38.57(10) . . ?
C12 Sb2 Sb3 87.8(3) . . ?
C12 Sb2 Sb3 132.3(3) 7_565 . ?
C9 Sb2 Sb3 129.8(2) . . ?
Sb1 Sb2 Sb3 61.207(17) . . ?
Sb3 Sb2 Sb3 58.74(2) 7_565 . ?
C13A Sb3 O2 96.6(5) . . ?
C13A Sb3 C24 91.9(5) . . ?
O2 Sb3 C24 92.2(3) . . ?
C13A Sb3 C23 92.8(6) . . ?
O2 Sb3 C23 167.5(3) . . ?
C24 Sb3 C23 95.8(4) . . ?
C13A Sb3 O3 96.6(4) . . ?
O2 Sb3 O3 77.49(19) . . ?
C24 Sb3 O3 167.3(3) . . ?
C23 Sb3 O3 93.2(3) . . ?
C13A Sb3 O1 169.6(4) . . ?
O2 Sb3 O1 75.4(2) . . ?
C24 Sb3 O1 95.1(4) . . ?
C23 Sb3 O1 94.2(3) . . ?
O3 Sb3 O1 75.3(2) . . ?
C13A Sb3 C21A 14.2(4) . 7_565 ?
O2 Sb3 C21A 87.5(4) . 7_565 ?
C24 Sb3 C21A 103.1(5) . 7_565 ?
C23 Sb3 C21A 100.1(5) . 7_565 ?
O3 Sb3 C21A 84.1(4) . 7_565 ?
O1 Sb3 C21A 155.5(4) . 7_565 ?
C13A Sb3 Sb3 87.4(4) . 7_565 ?
O2 Sb3 Sb3 40.00(13) . 7_565 ?
C24 Sb3 Sb3 131.4(3) . 7_565 ?
C23 Sb3 Sb3 132.8(3) . 7_565 ?
O3 Sb3 Sb3 40.10(14) . 7_565 ?
O1 Sb3 Sb3 82.11(13) . 7_565 ?
C21A Sb3 Sb3 73.6(3) 7_565 7_565 ?
C13A Sb3 Sb2 134.8(5) . . ?
O2 Sb3 Sb2 38.26(18) . . ?
C24 Sb3 Sb2 87.8(3) . . ?
C23 Sb3 Sb2 132.3(3) . . ?
O3 Sb3 Sb2 79.50(16) . . ?
O1 Sb3 Sb2 38.19(13) . . ?
C21A Sb3 Sb2 125.4(4) 7_565 . ?
Sb3 Sb3 Sb2 60.628(12) 7_565 . ?
Sb2 O1 Sb1 99.4(2) . . ?
Sb2 O1 Sb3 103.1(2) . . ?
Sb1 O1 Sb3 103.16(19) . . ?
Sb2 O2 Sb3 103.2(2) . 7_565 ?
Sb2 O2 Sb3 103.2(2) . . ?
Sb3 O2 Sb3 100.0(3) 7_565 . ?
Sb1 O3 Sb3 103.7(2) . . ?
Sb1 O3 Sb3 103.7(2) . 7_565 ?
Sb3 O3 Sb3 99.8(3) . 7_565 ?
C2 C1 C10 119.5(10) . . ?
C2 C1 Sb1 112.5(7) . . ?
C10 C1 Sb1 128.0(8) . . ?
C1 C2 C3 121.6(10) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 H2 119.2 . . ?
C4 C3 C2 119.7(11) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 121.4(10) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C6 C5 C4 120.4(10) . . ?
C6 C5 C10 120.5(10) . . ?
C4 C5 C10 119.0(9) . . ?
C7 C6 C5 121.1(10) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 120.4(10) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 121.9(11) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C10 118.7(10) . . ?
C8 C9 Sb2 114.2(8) . . ?
C10 C9 Sb2 127.1(7) . . ?
C1 C10 C5 118.8(9) . . ?
C1 C10 C9 123.9(9) . . ?
C5 C10 C9 117.4(9) . . ?
Sb1 C11 H11A 109.5 . . ?
Sb1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Sb1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Sb2 C12 H12A 109.5 . . ?
Sb2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Sb2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14A C13A C22A 121.9(16) . . ?
C14A C13A Sb3 114.4(12) . . ?
C22A C13A Sb3 123.4(11) . . ?
C13A C14A C15A 119.0(18) . . ?
C13A C14A H14A 120.5 . . ?
C15A C14A H14A 120.5 . . ?
C16A C15A C14A 123.3(19) . . ?
C16A C15A H15A 118.3 . . ?
C14A C15A H15A 118.3 . . ?
C15A C16A C17A 117(2) . . ?
C15A C16A H16A 121.7 . . ?
C17A C16A H16A 121.7 . . ?
C18A C17A C16A 116.1(18) . . ?
C18A C17A C22A 120.3(13) . . ?
C16A C17A C22A 123.6(17) . . ?
C19A C18A C17A 119.6(17) . . ?
C19A C18A H18A 120.2 . . ?
C17A C18A H18A 120.2 . . ?
C18A C19A C20A 120(2) . . ?
C18A C19A H19A 119.9 . . ?
C20A C19A H19A 119.9 . . ?
C21A C20A C19A 120.8(19) . . ?
C21A C20A H20A 119.6 . . ?
C19A C20A H20A 119.6 . . ?
C20A C21A C22A 120.3(16) . . ?
C20A C21A Sb3 110.2(11) . 7_565 ?
C22A C21A Sb3 129.5(12) . 7_565 ?
C21A C22A C13A 125.8(12) . . ?
C21A C22A C17A 118.7(14) . . ?
C13A C22A C17A 115.5(12) . . ?
Sb3 C23 H23A 109.5 . . ?
Sb3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Sb3 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Sb3 C24 H24A 109.5 . . ?
Sb3 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Sb3 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.875
_refine_diff_density_min         -1.391
_refine_diff_density_rms         0.161

#===END OF CIF ==============================================================
# 07mj007a

data_07mj007a_[C24H24Sb2]
_database_code_depnum_ccdc_archive 'CCDC 688590'

_audit_creation_method           'SHELXL-97 + hand edit'
_audit_creation_date             2007-08-17
_audit_author_name               'Webster, M.'

_chemical_name_systematic        
;
2,2'-bis(dimethylstibino)-1,1'-binaphthyl
;

_chemical_name_common            2,2'-bis(dimethylstibino)-1,1'-binaphthyl
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H24 Sb2'
_chemical_formula_sum            'C24 H24 Sb2'
_chemical_formula_weight         555.93

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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2 # Superceded **
_symmetry_space_group_name_Hall  '-P 1' # Superceded **

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.352(2)
_cell_length_b                   11.212(3)
_cell_length_c                   11.969(3)
_cell_angle_alpha                96.433(12)
_cell_angle_beta                 101.872(12)
_cell_angle_gamma                103.953(12)
_cell_volume                     1048.9(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    22910
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             540
_exptl_absorpt_coefficient_mu    2.580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6034 # 0.6830
_exptl_absorpt_correction_T_max  0.7456 # 0.9266
_exptl_absorpt_process_details   
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Nonius rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'area detector, Nonius Kappa ccd'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            11174
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.60
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4392
_reflns_number_gt                3415
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_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     
'w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+1.1653P] 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    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4392
_refine_ls_number_parameters     235
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0358
_refine_ls_wR_factor_ref         0.0813
_refine_ls_wR_factor_gt          0.0740
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_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
Sb1 Sb 0.01719(4) 0.45759(3) 0.27883(2) 0.02285(10) Uani 1 1 d . . .
Sb2 Sb 0.23578(4) 0.80093(3) 0.21693(2) 0.02416(10) Uani 1 1 d . . .
C1 C -0.1641(5) 0.6520(4) 0.1842(3) 0.0189(9) Uani 1 1 d . . .
C2 C -0.1314(5) 0.5395(4) 0.1541(3) 0.0183(9) Uani 1 1 d . . .
C3 C -0.1934(5) 0.4768(4) 0.0360(4) 0.0209(9) Uani 1 1 d . . .
H3 H -0.1702 0.3997 0.0144 0.025 Uiso 1 1 calc R . .
C4 C -0.2843(5) 0.5256(4) -0.0454(4) 0.0233(10) Uani 1 1 d . . .
H4 H -0.3232 0.4823 -0.1230 0.028 Uiso 1 1 calc R . .
C5 C -0.4163(5) 0.6927(5) -0.1001(4) 0.0270(11) Uani 1 1 d . . .
H5 H -0.4549 0.6509 -0.1782 0.032 Uiso 1 1 calc R . .
C6 C -0.4528(6) 0.8017(5) -0.0710(4) 0.0297(11) Uani 1 1 d . . .
H6 H -0.5148 0.8361 -0.1287 0.036 Uiso 1 1 calc R . .
C7 C -0.3988(6) 0.8642(5) 0.0446(4) 0.0292(11) Uani 1 1 d . . .
H7 H -0.4271 0.9395 0.0650 0.035 Uiso 1 1 calc R . .
C8 C -0.3059(5) 0.8169(4) 0.1277(4) 0.0238(10) Uani 1 1 d . . .
H8 H -0.2688 0.8609 0.2050 0.029 Uiso 1 1 calc R . .
C9 C -0.2639(5) 0.7040(4) 0.1008(4) 0.0200(9) Uani 1 1 d . . .
C10 C -0.3221(5) 0.6396(4) -0.0168(4) 0.0224(10) Uani 1 1 d . . .
C11 C -0.0912(5) 0.7257(4) 0.3062(4) 0.0193(9) Uani 1 1 d . . .
C12 C 0.0758(5) 0.7971(4) 0.3394(4) 0.0209(9) Uani 1 1 d . . .
C13 C 0.1408(5) 0.8666(4) 0.4527(4) 0.0210(9) Uani 1 1 d . . .
H13 H 0.2567 0.9136 0.4762 0.025 Uiso 1 1 calc R . .
C14 C 0.0400(5) 0.8675(4) 0.5292(4) 0.0232(10) Uani 1 1 d . . .
H14 H 0.0859 0.9165 0.6043 0.028 Uiso 1 1 calc R . .
C15 C -0.2401(6) 0.7945(5) 0.5752(4) 0.0269(11) Uani 1 1 d . . .
H15 H -0.1970 0.8449 0.6498 0.032 Uiso 1 1 calc R . .
C16 C -0.4048(6) 0.7221(5) 0.5450(4) 0.0285(11) Uani 1 1 d . . .
H16 H -0.4739 0.7208 0.5991 0.034 Uiso 1 1 calc R . .
C17 C -0.4718(6) 0.6494(5) 0.4333(4) 0.0283(11) Uani 1 1 d . . .
H17 H -0.5864 0.5996 0.4119 0.034 Uiso 1 1 calc R . .
C18 C -0.3720(5) 0.6505(4) 0.3557(4) 0.0231(10) Uani 1 1 d . . .
H18 H -0.4186 0.6019 0.2805 0.028 Uiso 1 1 calc R . .
C19 C -0.2005(5) 0.7229(4) 0.3857(4) 0.0200(9) Uani 1 1 d . . .
C20 C -0.1326(5) 0.7960(4) 0.4978(4) 0.0199(9) Uani 1 1 d . . .
C21 C -0.0485(6) 0.2759(5) 0.1736(4) 0.0319(11) Uani 1 1 d . . .
H21A H 0.0255 0.2766 0.1197 0.048 Uiso 1 1 calc R . .
H21B H -0.1673 0.2546 0.1297 0.048 Uiso 1 1 calc R . .
H21C H -0.0336 0.2139 0.2235 0.048 Uiso 1 1 calc R . .
C22 C -0.1736(6) 0.4036(5) 0.3738(4) 0.0304(11) Uani 1 1 d . . .
H22A H -0.1691 0.4750 0.4307 0.046 Uiso 1 1 calc R . .
H22B H -0.1523 0.3353 0.4138 0.046 Uiso 1 1 calc R . .
H22C H -0.2862 0.3759 0.3200 0.046 Uiso 1 1 calc R . .
C23 C 0.1350(6) 0.9298(5) 0.1222(4) 0.0338(12) Uani 1 1 d . . .
H23A H 0.1919 0.9456 0.0593 0.051 Uiso 1 1 calc R . .
H23B H 0.1546 1.0084 0.1746 0.051 Uiso 1 1 calc R . .
H23C H 0.0126 0.8941 0.0897 0.051 Uiso 1 1 calc R . .
C24 C 0.4528(6) 0.9433(4) 0.3236(4) 0.0291(11) Uani 1 1 d . . .
H24A H 0.5434 0.9594 0.2821 0.044 Uiso 1 1 calc R . .
H24B H 0.4938 0.9151 0.3960 0.044 Uiso 1 1 calc R . .
H24C H 0.4197 1.0202 0.3410 0.044 Uiso 1 1 calc R . .

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
Sb1 0.01990(17) 0.0238(2) 0.02171(17) 0.00108(13) 0.00115(12) 0.00459(13)
Sb2 0.02246(17) 0.02316(19) 0.02277(17) -0.00383(13) 0.00816(12) -0.00018(13)
C1 0.014(2) 0.024(3) 0.017(2) 0.0016(18) 0.0038(16) 0.0014(18)
C2 0.015(2) 0.018(2) 0.018(2) 0.0019(17) 0.0031(16) -0.0002(18)
C3 0.018(2) 0.016(2) 0.024(2) -0.0044(18) 0.0046(17) -0.0001(18)
C4 0.021(2) 0.025(3) 0.017(2) -0.0041(18) 0.0033(17) -0.0025(19)
C5 0.021(2) 0.034(3) 0.021(2) 0.003(2) 0.0008(18) 0.002(2)
C6 0.026(2) 0.036(3) 0.027(2) 0.013(2) 0.0010(19) 0.009(2)
C7 0.025(2) 0.032(3) 0.032(3) 0.007(2) 0.008(2) 0.011(2)
C8 0.025(2) 0.026(3) 0.020(2) 0.0018(19) 0.0059(18) 0.007(2)
C9 0.015(2) 0.022(3) 0.019(2) 0.0006(18) 0.0020(16) -0.0018(18)
C10 0.015(2) 0.026(3) 0.021(2) 0.0046(19) 0.0038(17) -0.0033(19)
C11 0.021(2) 0.016(2) 0.020(2) 0.0025(17) 0.0023(17) 0.0071(18)
C12 0.020(2) 0.020(2) 0.022(2) 0.0037(18) 0.0035(17) 0.0054(19)
C13 0.021(2) 0.015(2) 0.021(2) -0.0021(18) 0.0014(17) -0.0023(18)
C14 0.024(2) 0.021(3) 0.019(2) -0.0047(18) 0.0009(18) 0.0021(19)
C15 0.028(2) 0.032(3) 0.021(2) 0.000(2) 0.0094(19) 0.009(2)
C16 0.027(2) 0.033(3) 0.028(2) 0.005(2) 0.013(2) 0.008(2)
C17 0.021(2) 0.032(3) 0.034(3) 0.008(2) 0.011(2) 0.006(2)
C18 0.020(2) 0.023(3) 0.025(2) 0.0028(19) 0.0035(18) 0.0047(19)
C19 0.020(2) 0.021(2) 0.019(2) 0.0014(18) 0.0039(17) 0.0074(19)
C20 0.020(2) 0.022(3) 0.018(2) 0.0027(18) 0.0053(17) 0.0054(19)
C21 0.032(3) 0.028(3) 0.033(3) 0.000(2) 0.004(2) 0.010(2)
C22 0.032(3) 0.035(3) 0.030(3) 0.012(2) 0.013(2) 0.013(2)
C23 0.035(3) 0.034(3) 0.028(3) 0.007(2) 0.009(2) -0.001(2)
C24 0.024(2) 0.020(3) 0.038(3) 0.000(2) 0.006(2) -0.001(2)

_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
Sb1 C22 2.152(4) . ?
Sb1 C21 2.154(5) . ?
Sb1 C2 2.169(4) . ?
Sb2 C23 2.155(5) . ?
Sb2 C24 2.158(4) . ?
Sb2 C12 2.174(4) . ?
C1 C2 1.379(6) . ?
C1 C9 1.432(6) . ?
C1 C11 1.519(6) . ?
C2 C3 1.436(6) . ?
C3 C4 1.356(6) . ?
C3 H3 0.9500 . ?
C4 C10 1.411(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.355(7) . ?
C5 C10 1.416(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.408(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.368(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.413(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.435(6) . ?
C11 C12 1.381(6) . ?
C11 C19 1.445(6) . ?
C12 C13 1.414(6) . ?
C13 C14 1.366(6) . ?
C13 H13 0.9500 . ?
C14 C20 1.419(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.368(7) . ?
C15 C20 1.416(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.412(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.369(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.415(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.417(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?

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
C22 Sb1 C21 93.7(2) . . ?
C22 Sb1 C2 96.39(17) . . ?
C21 Sb1 C2 96.12(18) . . ?
C23 Sb2 C24 94.1(2) . . ?
C23 Sb2 C12 95.42(18) . . ?
C24 Sb2 C12 96.59(17) . . ?
C2 C1 C9 121.1(4) . . ?
C2 C1 C11 120.6(4) . . ?
C9 C1 C11 118.3(4) . . ?
C1 C2 C3 118.8(4) . . ?
C1 C2 Sb1 121.9(3) . . ?
C3 C2 Sb1 119.2(3) . . ?
C4 C3 C2 121.3(4) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C3 C4 C10 121.1(4) . . ?
C3 C4 H4 119.4 . . ?
C10 C4 H4 119.4 . . ?
C6 C5 C10 121.5(4) . . ?
C6 C5 H5 119.2 . . ?
C10 C5 H5 119.2 . . ?
C5 C6 C7 120.1(4) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 120.3(5) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 121.4(4) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C8 C9 C1 123.5(4) . . ?
C8 C9 C10 118.0(4) . . ?
C1 C9 C10 118.5(4) . . ?
C4 C10 C5 122.3(4) . . ?
C4 C10 C9 119.1(4) . . ?
C5 C10 C9 118.7(4) . . ?
C12 C11 C19 120.6(4) . . ?
C12 C11 C1 120.3(4) . . ?
C19 C11 C1 119.1(4) . . ?
C11 C12 C13 119.5(4) . . ?
C11 C12 Sb2 119.7(3) . . ?
C13 C12 Sb2 120.8(3) . . ?
C14 C13 C12 121.2(4) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C13 C14 C20 120.7(4) . . ?
C13 C14 H14 119.6 . . ?
C20 C14 H14 119.6 . . ?
C16 C15 C20 121.5(4) . . ?
C16 C15 H15 119.3 . . ?
C20 C15 H15 119.3 . . ?
C15 C16 C17 119.8(4) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 120.2(4) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 121.1(4) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C20 C19 C18 119.0(4) . . ?
C20 C19 C11 118.5(4) . . ?
C18 C19 C11 122.5(4) . . ?
C19 C20 C15 118.5(4) . . ?
C19 C20 C14 119.4(4) . . ?
C15 C20 C14 122.1(4) . . ?
Sb1 C21 H21A 109.5 . . ?
Sb1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Sb1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Sb1 C22 H22A 109.5 . . ?
Sb1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Sb1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Sb2 C23 H23A 109.5 . . ?
Sb2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Sb2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Sb2 C24 H24A 109.5 . . ?
Sb2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Sb2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 C1 C2 C3 2.5(6) . . . . ?
C11 C1 C2 C3 -175.9(4) . . . . ?
C9 C1 C2 Sb1 -179.4(3) . . . . ?
C11 C1 C2 Sb1 2.1(5) . . . . ?
C22 Sb1 C2 C1 72.7(4) . . . . ?
C21 Sb1 C2 C1 167.1(3) . . . . ?
C22 Sb1 C2 C3 -109.3(3) . . . . ?
C21 Sb1 C2 C3 -14.8(3) . . . . ?
C1 C2 C3 C4 -0.7(6) . . . . ?
Sb1 C2 C3 C4 -178.9(3) . . . . ?
C2 C3 C4 C10 -0.3(7) . . . . ?
C10 C5 C6 C7 -0.9(7) . . . . ?
C5 C6 C7 C8 1.6(7) . . . . ?
C6 C7 C8 C9 -1.1(7) . . . . ?
C7 C8 C9 C1 178.7(4) . . . . ?
C7 C8 C9 C10 -0.1(7) . . . . ?
C2 C1 C9 C8 177.9(4) . . . . ?
C11 C1 C9 C8 -3.5(6) . . . . ?
C2 C1 C9 C10 -3.3(6) . . . . ?
C11 C1 C9 C10 175.3(4) . . . . ?
C3 C4 C10 C5 179.8(4) . . . . ?
C3 C4 C10 C9 -0.4(6) . . . . ?
C6 C5 C10 C4 179.5(4) . . . . ?
C6 C5 C10 C9 -0.3(7) . . . . ?
C8 C9 C10 C4 -179.0(4) . . . . ?
C1 C9 C10 C4 2.2(6) . . . . ?
C8 C9 C10 C5 0.8(6) . . . . ?
C1 C9 C10 C5 -178.1(4) . . . . ?
C2 C1 C11 C12 79.5(6) . . . . ?
C9 C1 C11 C12 -99.1(5) . . . . ?
C2 C1 C11 C19 -102.4(5) . . . . ?
C9 C1 C11 C19 79.0(5) . . . . ?
C19 C11 C12 C13 0.9(7) . . . . ?
C1 C11 C12 C13 179.0(4) . . . . ?
C19 C11 C12 Sb2 -179.2(3) . . . . ?
C1 C11 C12 Sb2 -1.2(6) . . . . ?
C23 Sb2 C12 C11 78.8(4) . . . . ?
C24 Sb2 C12 C11 173.6(4) . . . . ?
C23 Sb2 C12 C13 -101.3(4) . . . . ?
C24 Sb2 C12 C13 -6.5(4) . . . . ?
C11 C12 C13 C14 -2.0(7) . . . . ?
Sb2 C12 C13 C14 178.2(4) . . . . ?
C12 C13 C14 C20 1.5(7) . . . . ?
C20 C15 C16 C17 -1.7(8) . . . . ?
C15 C16 C17 C18 0.5(7) . . . . ?
C16 C17 C18 C19 0.6(7) . . . . ?
C17 C18 C19 C20 -0.5(7) . . . . ?
C17 C18 C19 C11 179.6(4) . . . . ?
C12 C11 C19 C20 0.6(6) . . . . ?
C1 C11 C19 C20 -177.5(4) . . . . ?
C12 C11 C19 C18 -179.6(4) . . . . ?
C1 C11 C19 C18 2.3(7) . . . . ?
C18 C19 C20 C15 -0.6(6) . . . . ?
C11 C19 C20 C15 179.3(4) . . . . ?
C18 C19 C20 C14 179.1(4) . . . . ?
C11 C19 C20 C14 -1.0(6) . . . . ?
C16 C15 C20 C19 1.7(7) . . . . ?
C16 C15 C20 C14 -177.9(5) . . . . ?
C13 C14 C20 C19 0.0(7) . . . . ?
C13 C14 C20 C15 179.7(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.913
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.913
_refine_diff_density_max         0.991
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.134

#===END OF CIF ==============================================================
# 07mj010

data_07mj010_[C28H24MoO4Sb2]
_database_code_depnum_ccdc_archive 'CCDC 688591'

_audit_creation_method           'SHELXL-97 + hand edit'
_audit_creation_date             2007-08-19
_audit_author_name               'Webster, M.'

_chemical_name_systematic        
;
Tetracarbonyl(2,2'-bis(dimethylstibino)-1,1'-binaphthyl)molybdenum(0)
;

_chemical_name_common            
;Tetracarbonyl(2,2'-bis(dimethylstibino)-1,1'-
binaphthyl)molybdenum(0)
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H24 Mo O4 Sb2'
_chemical_formula_sum            'C28 H24 Mo O4 Sb2'
_chemical_formula_structural     '(C24 H24 Sb2) (C O)4 Mo'
_chemical_formula_weight         763.91

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2 # Superceded **
_symmetry_space_group_name_Hall  '-P 1' # Superceded **

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7993(15)
_cell_length_b                   15.073(3)
_cell_length_c                   16.058(2)
_cell_angle_alpha                64.903(8)
_cell_angle_beta                 82.036(9)
_cell_angle_gamma                80.998(8)
_cell_volume                     2761.9(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    70247
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1472
_exptl_absorpt_coefficient_mu    2.420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8843 # 0.8117
_exptl_absorpt_correction_T_max  1.0000 # 0.9309
_exptl_absorpt_process_details   
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            50073
_diffrn_reflns_av_R_equivalents  0.1060
_diffrn_reflns_av_sigmaI/netI    0.1034
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.96
_diffrn_reflns_theta_max         26.50
_reflns_number_total             11362
_reflns_number_gt                7325
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_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     
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+43.7026P] 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    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11362
_refine_ls_number_parameters     631
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.1477
_refine_ls_R_factor_gt           0.0823
_refine_ls_wR_factor_ref         0.1530
_refine_ls_wR_factor_gt          0.1291
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_restrained_S_all      1.198
_refine_ls_shift/su_max          0.001
_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
Mo1 Mo 0.59232(8) 1.00151(8) 0.17209(7) 0.0296(3) Uani 1 1 d . . .
Mo2 Mo 0.21191(8) 0.52208(8) 0.21412(7) 0.0273(2) Uani 1 1 d . . .
Sb1 Sb 0.44800(6) 0.86526(6) 0.22832(6) 0.0277(2) Uani 1 1 d . . .
Sb2 Sb 0.44272(6) 1.10052(6) 0.24992(6) 0.02663(19) Uani 1 1 d . . .
Sb3 Sb 0.03025(6) 0.63167(6) 0.13808(5) 0.02677(19) Uani 1 1 d . . .
Sb4 Sb 0.07499(6) 0.39272(6) 0.33573(6) 0.0305(2) Uani 1 1 d . . .
O1 O 0.7557(7) 1.1568(7) 0.1133(6) 0.039(2) Uani 1 1 d . . .
O2 O 0.7539(8) 0.8828(9) 0.0802(8) 0.063(3) Uani 1 1 d . . .
O3 O 0.4786(8) 1.1326(8) -0.0105(7) 0.055(3) Uani 1 1 d . . .
O4 O 0.6824(7) 0.8939(7) 0.3709(7) 0.044(2) Uani 1 1 d . . .
O5 O 0.4110(8) 0.3906(7) 0.3119(7) 0.051(3) Uani 1 1 d . . .
O6 O 0.3590(7) 0.6718(7) 0.0691(7) 0.047(2) Uani 1 1 d . . .
O7 O 0.1882(8) 0.6466(8) 0.3368(7) 0.055(3) Uani 1 1 d . . .
O8 O 0.2147(8) 0.4096(7) 0.0849(7) 0.048(2) Uani 1 1 d . . .
C1 C 0.2994(8) 0.9147(8) 0.3778(7) 0.020(2) Uani 1 1 d . . .
C2 C 0.3844(9) 0.8507(8) 0.3637(8) 0.025(3) Uani 1 1 d . . .
C3 C 0.4410(8) 0.7840(8) 0.4390(8) 0.026(3) Uani 1 1 d . . .
H3 H 0.5016 0.7435 0.4286 0.031 Uiso 1 1 calc R . .
C4 C 0.4107(10) 0.7757(9) 0.5277(9) 0.040(3) Uani 1 1 d . . .
H4 H 0.4493 0.7286 0.5774 0.047 Uiso 1 1 calc R . .
C5 C 0.2932(10) 0.8307(9) 0.6355(8) 0.033(3) Uani 1 1 d . . .
H5 H 0.3326 0.7854 0.6853 0.040 Uiso 1 1 calc R . .
C6 C 0.2086(10) 0.8894(10) 0.6511(9) 0.039(3) Uani 1 1 d . . .
H6 H 0.1871 0.8836 0.7121 0.047 Uiso 1 1 calc R . .
C7 C 0.1521(10) 0.9595(9) 0.5765(8) 0.029(3) Uani 1 1 d . . .
H7 H 0.0943 1.0020 0.5877 0.035 Uiso 1 1 calc R . .
C8 C 0.1790(10) 0.9670(9) 0.4897(8) 0.028(3) Uani 1 1 d . . .
H8 H 0.1394 1.0143 0.4409 0.034 Uiso 1 1 calc R . .
C9 C 0.2655(9) 0.9054(9) 0.4700(8) 0.029(3) Uani 1 1 d . . .
C10 C 0.3231(10) 0.8367(9) 0.5452(8) 0.030(3) Uani 1 1 d . . .
C11 C 0.2421(8) 0.9912(8) 0.3001(7) 0.022(2) Uani 1 1 d . . .
C12 C 0.2838(9) 1.0772(8) 0.2419(8) 0.027(3) Uani 1 1 d . . .
C13 C 0.2274(9) 1.1475(9) 0.1675(8) 0.027(3) Uani 1 1 d . . .
H13 H 0.2569 1.2066 0.1274 0.033 Uiso 1 1 calc R . .
C14 C 0.1291(9) 1.1311(9) 0.1522(8) 0.029(2) Uani 1 1 d U . .
H14 H 0.0920 1.1790 0.1020 0.035 Uiso 1 1 calc R . .
C15 C -0.0137(9) 1.0236(9) 0.1946(9) 0.031(2) Uani 1 1 d U . .
H15 H -0.0511 1.0704 0.1441 0.038 Uiso 1 1 calc R . .
C16 C -0.0550(10) 0.9378(9) 0.2509(9) 0.036(3) Uani 1 1 d U . .
H16 H -0.1214 0.9262 0.2396 0.043 Uiso 1 1 calc R . .
C17 C -0.0010(10) 0.8664(9) 0.3253(8) 0.034(3) Uani 1 1 d U . .
H17 H -0.0295 0.8062 0.3635 0.041 Uiso 1 1 calc R . .
C18 C 0.0944(9) 0.8852(8) 0.3420(8) 0.028(3) Uani 1 1 d . . .
H18 H 0.1308 0.8377 0.3929 0.033 Uiso 1 1 calc R . .
C19 C 0.1397(8) 0.9745(8) 0.2845(7) 0.018(2) Uani 1 1 d U . .
C20 C 0.0849(9) 1.0441(9) 0.2107(8) 0.029(2) Uani 1 1 d U . .
C21 C 0.4988(12) 0.7130(9) 0.2580(10) 0.044(4) Uani 1 1 d . . .
H21A H 0.5634 0.6923 0.2909 0.066 Uiso 1 1 calc R . .
H21B H 0.5134 0.7044 0.2002 0.066 Uiso 1 1 calc R . .
H21C H 0.4428 0.6727 0.2966 0.066 Uiso 1 1 calc R . .
C22 C 0.3125(10) 0.8781(10) 0.1596(9) 0.035(3) Uani 1 1 d . . .
H22A H 0.3347 0.8854 0.0963 0.053 Uiso 1 1 calc R . .
H22B H 0.2644 0.9360 0.1583 0.053 Uiso 1 1 calc R . .
H22C H 0.2758 0.8188 0.1925 0.053 Uiso 1 1 calc R . .
C23 C 0.4409(11) 1.0818(12) 0.3887(10) 0.050(4) Uani 1 1 d . . .
H23A H 0.5108 1.0911 0.4001 0.074 Uiso 1 1 calc R . .
H23B H 0.4238 1.0153 0.4303 0.074 Uiso 1 1 calc R . .
H23C H 0.3872 1.1304 0.3998 0.074 Uiso 1 1 calc R . .
C24 C 0.4311(11) 1.2567(9) 0.1813(10) 0.044(3) Uani 1 1 d . . .
H24A H 0.4995 1.2792 0.1795 0.066 Uiso 1 1 calc R . .
H24B H 0.3764 1.2854 0.2145 0.066 Uiso 1 1 calc R . .
H24C H 0.4120 1.2775 0.1181 0.066 Uiso 1 1 calc R . .
C25 C 0.6940(10) 1.0996(10) 0.1352(8) 0.034(3) Uani 1 1 d . . .
C26 C 0.6953(10) 0.9241(11) 0.1145(10) 0.043(3) Uani 1 1 d . . .
C27 C 0.5219(10) 1.0810(10) 0.0521(10) 0.042(3) Uani 1 1 d . . .
C28 C 0.6512(9) 0.9299(10) 0.2991(10) 0.035(3) Uani 1 1 d . . .
C29 C -0.1526(8) 0.5427(8) 0.2868(8) 0.023(2) Uani 1 1 d . . .
C30 C -0.0968(8) 0.6224(8) 0.2437(8) 0.024(2) Uani 1 1 d . . .
C31 C -0.1102(10) 0.6983(9) 0.2746(8) 0.034(3) Uani 1 1 d . . .
H31 H -0.0699 0.7528 0.2443 0.040 Uiso 1 1 calc R . .
C32 C -0.1811(9) 0.6939(9) 0.3484(8) 0.028(3) Uani 1 1 d . . .
H32 H -0.1900 0.7459 0.3682 0.033 Uiso 1 1 calc R . .
C33 C -0.3110(10) 0.6059(9) 0.4738(8) 0.031(3) Uani 1 1 d . . .
H33 H -0.3201 0.6572 0.4945 0.037 Uiso 1 1 calc R . .
C34 C -0.3650(10) 0.5254(10) 0.5196(9) 0.039(3) Uani 1 1 d . . .
H34 H -0.4098 0.5200 0.5735 0.046 Uiso 1 1 calc R . .
C35 C -0.3555(10) 0.4514(10) 0.4888(9) 0.038(3) Uani 1 1 d . . .
H35 H -0.3956 0.3969 0.5203 0.046 Uiso 1 1 calc R . .
C36 C -0.2881(9) 0.4565(9) 0.4127(9) 0.031(3) Uani 1 1 d . . .
H36 H -0.2815 0.4041 0.3937 0.037 Uiso 1 1 calc R . .
C37 C -0.2291(9) 0.5359(8) 0.3625(8) 0.026(3) Uani 1 1 d . . .
C38 C -0.2412(9) 0.6129(8) 0.3952(8) 0.025(3) Uani 1 1 d . . .
C39 C -0.1432(8) 0.4617(8) 0.2517(8) 0.024(2) Uani 1 1 d . . .
C40 C -0.0557(10) 0.3916(9) 0.2664(8) 0.030(3) Uani 1 1 d . . .
C41 C -0.0485(10) 0.3210(8) 0.2302(8) 0.030(3) Uani 1 1 d . . .
H41 H 0.0118 0.2732 0.2399 0.035 Uiso 1 1 calc R . .
C42 C -0.1271(11) 0.3201(10) 0.1810(9) 0.039(3) Uani 1 1 d . . .
H42 H -0.1209 0.2703 0.1585 0.047 Uiso 1 1 calc R . .
C43 C -0.2976(12) 0.3914(11) 0.1108(9) 0.044(4) Uani 1 1 d . . .
H43 H -0.2916 0.3432 0.0865 0.053 Uiso 1 1 calc R . .
C44 C -0.3848(11) 0.4603(12) 0.0946(10) 0.052(4) Uani 1 1 d . . .
H44 H -0.4402 0.4582 0.0620 0.063 Uiso 1 1 calc R . .
C45 C -0.3905(11) 0.5329(12) 0.1264(10) 0.050(4) Uani 1 1 d . . .
H45 H -0.4487 0.5830 0.1122 0.060 Uiso 1 1 calc R . .
C46 C -0.3157(9) 0.5349(10) 0.1772(9) 0.034(3) Uani 1 1 d . . .
H46 H -0.3233 0.5848 0.1996 0.041 Uiso 1 1 calc R . .
C47 C -0.2267(9) 0.4636(9) 0.1970(8) 0.028(3) Uani 1 1 d . . .
C48 C -0.2167(10) 0.3904(9) 0.1627(8) 0.032(3) Uani 1 1 d . . .
C49 C 0.0332(10) 0.7858(9) 0.0729(8) 0.037(3) Uani 1 1 d . . .
H49A H 0.0665 0.8074 0.1115 0.056 Uiso 1 1 calc R . .
H49B H -0.0395 0.8181 0.0641 0.056 Uiso 1 1 calc R . .
H49C H 0.0740 0.8034 0.0128 0.056 Uiso 1 1 calc R . .
C50 C -0.0442(10) 0.6090(10) 0.0402(8) 0.034(3) Uani 1 1 d . . .
H50A H -0.0513 0.5387 0.0620 0.051 Uiso 1 1 calc R . .
H50B H -0.0011 0.6314 -0.0189 0.051 Uiso 1 1 calc R . .
H50C H -0.1147 0.6465 0.0322 0.051 Uiso 1 1 calc R . .
C51 C 0.1256(12) 0.2388(10) 0.3921(10) 0.051(4) Uani 1 1 d . . .
H51A H 0.1870 0.2255 0.4276 0.077 Uiso 1 1 calc R . .
H51B H 0.1456 0.2171 0.3419 0.077 Uiso 1 1 calc R . .
H51C H 0.0676 0.2029 0.4326 0.077 Uiso 1 1 calc R . .
C52 C 0.0001(10) 0.4010(11) 0.4591(9) 0.042(3) Uani 1 1 d . . .
H52A H -0.0292 0.4692 0.4463 0.063 Uiso 1 1 calc R . .
H52B H 0.0523 0.3793 0.5051 0.063 Uiso 1 1 calc R . .
H52C H -0.0573 0.3584 0.4830 0.063 Uiso 1 1 calc R . .
C53 C 0.3366(10) 0.4390(10) 0.2764(8) 0.034(3) Uani 1 1 d . . .
C54 C 0.3024(10) 0.6164(10) 0.1215(9) 0.035(3) Uani 1 1 d . . .
C55 C 0.1973(11) 0.5996(10) 0.2940(10) 0.044(4) Uani 1 1 d . . .
C56 C 0.2162(9) 0.4492(9) 0.1312(9) 0.031(3) Uani 1 1 d . . .

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
Mo1 0.0225(5) 0.0362(6) 0.0348(6) -0.0199(5) -0.0005(4) -0.0030(5)
Mo2 0.0241(5) 0.0287(6) 0.0301(6) -0.0133(5) -0.0063(4) 0.0018(4)
Sb1 0.0241(4) 0.0286(4) 0.0354(5) -0.0188(4) -0.0021(3) -0.0008(3)
Sb2 0.0217(4) 0.0274(4) 0.0340(4) -0.0156(4) -0.0024(3) -0.0032(3)
Sb3 0.0233(4) 0.0266(4) 0.0275(4) -0.0090(4) -0.0036(3) 0.0005(3)
Sb4 0.0306(5) 0.0256(4) 0.0325(5) -0.0101(4) -0.0061(4) 0.0026(4)
O1 0.027(5) 0.045(6) 0.047(6) -0.018(5) -0.006(4) -0.009(4)
O2 0.035(6) 0.092(9) 0.072(8) -0.051(7) 0.001(5) 0.012(6)
O3 0.052(6) 0.072(8) 0.040(6) -0.019(6) -0.010(5) -0.013(6)
O4 0.047(6) 0.032(5) 0.052(6) -0.015(5) -0.018(5) 0.001(4)
O5 0.047(6) 0.057(7) 0.050(6) -0.029(5) -0.021(5) 0.028(5)
O6 0.034(5) 0.047(6) 0.057(6) -0.021(5) 0.002(5) -0.005(5)
O7 0.063(7) 0.059(7) 0.062(7) -0.045(6) -0.015(5) 0.007(5)
O8 0.059(7) 0.048(6) 0.047(6) -0.029(5) -0.017(5) 0.004(5)
C1 0.011(5) 0.029(6) 0.019(6) -0.008(5) 0.002(4) -0.004(4)
C2 0.027(6) 0.020(6) 0.032(6) -0.014(5) -0.001(5) -0.005(5)
C3 0.015(5) 0.023(6) 0.036(7) -0.010(5) -0.006(5) 0.006(5)
C4 0.041(8) 0.025(7) 0.043(8) -0.001(6) -0.018(6) -0.004(6)
C5 0.039(7) 0.036(7) 0.019(6) -0.006(6) -0.006(5) -0.003(6)
C6 0.036(8) 0.056(9) 0.028(7) -0.017(7) 0.008(6) -0.022(7)
C7 0.037(7) 0.032(7) 0.024(6) -0.016(6) -0.006(5) -0.005(6)
C8 0.039(7) 0.033(7) 0.021(6) -0.018(5) 0.001(5) -0.008(6)
C9 0.028(6) 0.025(6) 0.030(7) -0.006(5) -0.006(5) -0.005(5)
C10 0.041(7) 0.022(6) 0.033(7) -0.015(6) -0.010(6) -0.006(5)
C11 0.023(6) 0.027(6) 0.022(6) -0.016(5) -0.007(5) -0.001(5)
C12 0.028(6) 0.023(6) 0.032(7) -0.014(5) -0.008(5) 0.007(5)
C13 0.029(6) 0.026(6) 0.025(6) -0.009(5) -0.004(5) 0.000(5)
C14 0.025(6) 0.026(5) 0.038(6) -0.014(4) -0.017(5) 0.008(4)
C15 0.018(5) 0.030(5) 0.043(7) -0.013(4) -0.016(4) 0.010(4)
C16 0.032(6) 0.036(6) 0.048(7) -0.024(4) -0.007(5) -0.002(4)
C17 0.037(7) 0.031(6) 0.034(6) -0.013(4) 0.005(5) -0.010(5)
C18 0.027(6) 0.023(6) 0.033(7) -0.013(5) -0.002(5) 0.000(5)
C19 0.011(5) 0.028(5) 0.021(5) -0.019(3) -0.002(3) 0.004(4)
C20 0.019(5) 0.035(5) 0.032(6) -0.014(4) -0.010(4) 0.004(3)
C21 0.070(10) 0.024(7) 0.046(8) -0.022(6) -0.015(7) 0.005(7)
C22 0.033(7) 0.041(8) 0.038(7) -0.021(6) -0.013(6) -0.001(6)
C23 0.042(8) 0.068(11) 0.057(9) -0.039(9) -0.009(7) -0.015(8)
C24 0.049(9) 0.028(7) 0.060(9) -0.020(7) -0.007(7) -0.009(6)
C25 0.032(7) 0.042(8) 0.028(7) -0.016(6) -0.002(5) 0.001(6)
C26 0.029(7) 0.048(9) 0.052(9) -0.024(8) 0.011(6) -0.007(6)
C27 0.026(7) 0.034(8) 0.059(9) -0.009(7) -0.020(7) -0.005(6)
C28 0.025(7) 0.037(8) 0.052(9) -0.024(7) -0.008(6) -0.005(6)
C29 0.020(6) 0.021(6) 0.025(6) -0.010(5) -0.001(5) 0.007(5)
C30 0.019(6) 0.027(6) 0.026(6) -0.010(5) -0.008(5) 0.003(5)
C31 0.036(7) 0.032(7) 0.035(7) -0.018(6) 0.004(6) -0.004(6)
C32 0.032(6) 0.034(7) 0.032(7) -0.025(6) -0.009(5) -0.002(5)
C33 0.037(7) 0.028(7) 0.028(7) -0.013(6) -0.002(5) 0.000(6)
C34 0.037(7) 0.053(9) 0.033(7) -0.025(7) -0.003(6) 0.000(6)
C35 0.041(8) 0.034(7) 0.042(8) -0.015(6) 0.002(6) -0.019(6)
C36 0.024(6) 0.029(7) 0.044(7) -0.018(6) 0.001(5) -0.008(5)
C37 0.024(6) 0.019(6) 0.034(7) -0.010(5) -0.008(5) 0.002(5)
C38 0.026(6) 0.025(6) 0.032(6) -0.018(5) -0.011(5) 0.002(5)
C39 0.017(6) 0.020(6) 0.031(6) -0.009(5) 0.002(5) -0.002(5)
C40 0.035(7) 0.025(6) 0.028(6) -0.006(5) 0.001(5) -0.017(5)
C41 0.034(7) 0.012(6) 0.031(7) 0.001(5) 0.007(5) -0.005(5)
C42 0.045(8) 0.035(8) 0.036(7) -0.013(6) 0.008(6) -0.019(7)
C43 0.060(10) 0.052(9) 0.036(8) -0.027(7) -0.004(7) -0.025(8)
C44 0.037(8) 0.072(11) 0.056(10) -0.028(9) -0.011(7) -0.016(8)
C45 0.027(7) 0.072(11) 0.059(10) -0.035(9) -0.011(7) 0.004(7)
C46 0.025(6) 0.041(8) 0.045(8) -0.023(7) -0.015(6) 0.004(6)
C47 0.028(6) 0.033(7) 0.023(6) -0.009(5) 0.007(5) -0.015(5)
C48 0.040(7) 0.036(7) 0.026(6) -0.014(6) 0.006(5) -0.023(6)
C49 0.037(7) 0.042(8) 0.026(7) -0.005(6) -0.004(6) -0.009(6)
C50 0.035(7) 0.042(8) 0.028(7) -0.017(6) -0.011(5) 0.004(6)
C51 0.054(9) 0.029(8) 0.052(9) 0.000(7) -0.016(7) 0.010(7)
C52 0.039(8) 0.048(9) 0.035(7) -0.013(7) -0.014(6) 0.001(7)
C53 0.042(8) 0.046(8) 0.020(6) -0.021(6) -0.001(6) -0.001(7)
C54 0.025(7) 0.038(8) 0.044(8) -0.018(7) 0.000(6) -0.004(6)
C55 0.048(9) 0.035(8) 0.045(8) -0.010(7) -0.026(7) 0.010(7)
C56 0.022(6) 0.035(7) 0.035(7) -0.015(6) -0.007(5) 0.005(5)

_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
Mo1 C25 1.969(14) . ?
Mo1 C26 2.012(14) . ?
Mo1 C27 2.036(14) . ?
Mo1 C28 2.048(14) . ?
Mo1 Sb2 2.7351(14) . ?
Mo1 Sb1 2.7562(14) . ?
Mo2 C54 1.954(13) . ?
Mo2 C53 1.967(13) . ?
Mo2 C56 2.045(13) . ?
Mo2 C55 2.045(16) . ?
Mo2 Sb3 2.7385(13) . ?
Mo2 Sb4 2.7527(14) . ?
Sb1 C22 2.123(11) . ?
Sb1 C2 2.144(11) . ?
Sb1 C21 2.147(12) . ?
Sb2 C23 2.122(14) . ?
Sb2 C24 2.125(13) . ?
Sb2 C12 2.147(12) . ?
Sb3 C49 2.108(13) . ?
Sb3 C50 2.113(11) . ?
Sb3 C30 2.155(11) . ?
Sb4 C52 2.123(13) . ?
Sb4 C51 2.129(13) . ?
Sb4 C40 2.140(12) . ?
O1 C25 1.170(15) . ?
O2 C26 1.134(16) . ?
O3 C27 1.131(15) . ?
O4 C28 1.146(15) . ?
O5 C53 1.160(15) . ?
O6 C54 1.164(14) . ?
O7 C55 1.163(16) . ?
O8 C56 1.138(14) . ?
C1 C2 1.398(15) . ?
C1 C9 1.437(15) . ?
C1 C11 1.481(15) . ?
C2 C3 1.408(15) . ?
C3 C4 1.380(17) . ?
C3 H3 0.9500 . ?
C4 C10 1.410(18) . ?
C4 H4 0.9500 . ?
C5 C6 1.353(18) . ?
C5 C10 1.416(16) . ?
C5 H5 0.9500 . ?
C6 C7 1.414(17) . ?
C6 H6 0.9500 . ?
C7 C8 1.349(15) . ?
C7 H7 0.9500 . ?
C8 C9 1.420(17) . ?
C8 H8 0.9500 . ?
C9 C10 1.422(16) . ?
C11 C12 1.374(16) . ?
C11 C19 1.447(14) . ?
C12 C13 1.413(16) . ?
C13 C14 1.392(15) . ?
C13 H13 0.9500 . ?
C14 C20 1.401(16) . ?
C14 H14 0.9500 . ?
C15 C16 1.363(17) . ?
C15 C20 1.426(15) . ?
C15 H15 0.9500 . ?
C16 C17 1.404(17) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(16) . ?
C17 H17 0.9500 . ?
C18 C19 1.429(15) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(15) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C29 C30 1.363(16) . ?
C29 C37 1.430(15) . ?
C29 C39 1.530(15) . ?
C30 C31 1.407(16) . ?
C31 C32 1.373(16) . ?
C31 H31 0.9500 . ?
C32 C38 1.415(16) . ?
C32 H32 0.9500 . ?
C33 C34 1.362(17) . ?
C33 C38 1.417(16) . ?
C33 H33 0.9500 . ?
C34 C35 1.383(18) . ?
C34 H34 0.9500 . ?
C35 C36 1.375(17) . ?
C35 H35 0.9500 . ?
C36 C37 1.396(16) . ?
C36 H36 0.9500 . ?
C37 C38 1.443(16) . ?
C39 C40 1.385(16) . ?
C39 C47 1.465(15) . ?
C40 C41 1.398(16) . ?
C41 C42 1.367(17) . ?
C41 H41 0.9500 . ?
C42 C48 1.405(19) . ?
C42 H42 0.9500 . ?
C43 C44 1.37(2) . ?
C43 C48 1.412(17) . ?
C43 H43 0.9500 . ?
C44 C45 1.38(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.352(17) . ?
C45 H45 0.9500 . ?
C46 C47 1.408(17) . ?
C46 H46 0.9500 . ?
C47 C48 1.410(17) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?

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
C25 Mo1 C26 89.4(5) . . ?
C25 Mo1 C27 90.1(5) . . ?
C26 Mo1 C27 92.0(6) . . ?
C25 Mo1 C28 90.2(5) . . ?
C26 Mo1 C28 94.2(6) . . ?
C27 Mo1 C28 173.8(6) . . ?
C25 Mo1 Sb2 94.0(4) . . ?
C26 Mo1 Sb2 176.5(4) . . ?
C27 Mo1 Sb2 86.9(4) . . ?
C28 Mo1 Sb2 86.9(4) . . ?
C25 Mo1 Sb1 178.3(4) . . ?
C26 Mo1 Sb1 92.1(4) . . ?
C27 Mo1 Sb1 90.8(3) . . ?
C28 Mo1 Sb1 88.8(3) . . ?
Sb2 Mo1 Sb1 84.61(4) . . ?
C54 Mo2 C53 91.0(5) . . ?
C54 Mo2 C56 90.6(5) . . ?
C53 Mo2 C56 92.8(5) . . ?
C54 Mo2 C55 90.2(6) . . ?
C53 Mo2 C55 91.1(5) . . ?
C56 Mo2 C55 176.0(5) . . ?
C54 Mo2 Sb3 92.6(4) . . ?
C53 Mo2 Sb3 176.2(4) . . ?
C56 Mo2 Sb3 88.4(3) . . ?
C55 Mo2 Sb3 87.6(4) . . ?
C54 Mo2 Sb4 176.2(4) . . ?
C53 Mo2 Sb4 92.3(4) . . ?
C56 Mo2 Sb4 87.3(3) . . ?
C55 Mo2 Sb4 91.7(4) . . ?
Sb3 Mo2 Sb4 84.13(4) . . ?
C22 Sb1 C2 104.1(5) . . ?
C22 Sb1 C21 97.0(5) . . ?
C2 Sb1 C21 99.2(5) . . ?
C22 Sb1 Mo1 125.7(4) . . ?
C2 Sb1 Mo1 105.8(3) . . ?
C21 Sb1 Mo1 121.2(4) . . ?
C23 Sb2 C24 100.3(6) . . ?
C23 Sb2 C12 102.6(5) . . ?
C24 Sb2 C12 99.8(5) . . ?
C23 Sb2 Mo1 122.9(4) . . ?
C24 Sb2 Mo1 115.5(4) . . ?
C12 Sb2 Mo1 112.5(3) . . ?
C49 Sb3 C50 100.3(5) . . ?
C49 Sb3 C30 99.8(5) . . ?
C50 Sb3 C30 102.4(4) . . ?
C49 Sb3 Mo2 116.6(3) . . ?
C50 Sb3 Mo2 123.5(3) . . ?
C30 Sb3 Mo2 110.9(3) . . ?
C52 Sb4 C51 97.6(6) . . ?
C52 Sb4 C40 103.0(5) . . ?
C51 Sb4 C40 98.4(5) . . ?
C52 Sb4 Mo2 124.2(4) . . ?
C51 Sb4 Mo2 119.4(4) . . ?
C40 Sb4 Mo2 110.2(3) . . ?
C2 C1 C9 119.4(10) . . ?
C2 C1 C11 121.6(10) . . ?
C9 C1 C11 119.0(10) . . ?
C1 C2 C3 119.3(10) . . ?
C1 C2 Sb1 122.2(8) . . ?
C3 C2 Sb1 117.8(8) . . ?
C4 C3 C2 121.7(11) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C10 120.6(11) . . ?
C3 C4 H4 119.7 . . ?
C10 C4 H4 119.7 . . ?
C6 C5 C10 120.3(11) . . ?
C6 C5 H5 119.9 . . ?
C10 C5 H5 119.9 . . ?
C5 C6 C7 120.0(12) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 121.1(12) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 121.1(12) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
C8 C9 C10 117.3(11) . . ?
C8 C9 C1 122.5(10) . . ?
C10 C9 C1 120.0(11) . . ?
C4 C10 C5 121.1(11) . . ?
C4 C10 C9 118.7(11) . . ?
C5 C10 C9 120.2(11) . . ?
C12 C11 C19 119.1(10) . . ?
C12 C11 C1 121.9(9) . . ?
C19 C11 C1 119.0(9) . . ?
C11 C12 C13 120.1(11) . . ?
C11 C12 Sb2 121.5(8) . . ?
C13 C12 Sb2 118.0(8) . . ?
C14 C13 C12 120.8(11) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C14 C20 120.2(10) . . ?
C13 C14 H14 119.9 . . ?
C20 C14 H14 119.9 . . ?
C16 C15 C20 120.9(11) . . ?
C16 C15 H15 119.6 . . ?
C20 C15 H15 119.6 . . ?
C15 C16 C17 121.0(11) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 118.8(11) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 121.5(11) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C20 C19 C18 118.7(10) . . ?
C20 C19 C11 120.4(10) . . ?
C18 C19 C11 120.9(10) . . ?
C19 C20 C14 119.5(10) . . ?
C19 C20 C15 119.1(11) . . ?
C14 C20 C15 121.4(10) . . ?
Sb1 C21 H21A 109.5 . . ?
Sb1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Sb1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Sb1 C22 H22A 109.5 . . ?
Sb1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Sb1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Sb2 C23 H23A 109.5 . . ?
Sb2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Sb2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Sb2 C24 H24A 109.5 . . ?
Sb2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Sb2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C25 Mo1 179.0(11) . . ?
O2 C26 Mo1 178.2(14) . . ?
O3 C27 Mo1 172.2(13) . . ?
O4 C28 Mo1 176.6(11) . . ?
C30 C29 C37 120.8(10) . . ?
C30 C29 C39 121.8(10) . . ?
C37 C29 C39 117.2(10) . . ?
C29 C30 C31 120.9(11) . . ?
C29 C30 Sb3 122.9(8) . . ?
C31 C30 Sb3 115.7(8) . . ?
C32 C31 C30 120.4(11) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C31 C32 C38 120.8(11) . . ?
C31 C32 H32 119.6 . . ?
C38 C32 H32 119.6 . . ?
C34 C33 C38 119.8(11) . . ?
C34 C33 H33 120.1 . . ?
C38 C33 H33 120.1 . . ?
C33 C34 C35 121.0(12) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C36 C35 C34 120.2(12) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C35 C36 C37 122.4(12) . . ?
C35 C36 H36 118.8 . . ?
C37 C36 H36 118.8 . . ?
C36 C37 C29 125.2(11) . . ?
C36 C37 C38 116.5(11) . . ?
C29 C37 C38 118.1(10) . . ?
C32 C38 C33 121.0(10) . . ?
C32 C38 C37 118.9(10) . . ?
C33 C38 C37 120.0(11) . . ?
C40 C39 C47 120.4(10) . . ?
C40 C39 C29 121.5(10) . . ?
C47 C39 C29 118.1(10) . . ?
C39 C40 C41 119.6(11) . . ?
C39 C40 Sb4 122.0(9) . . ?
C41 C40 Sb4 118.2(9) . . ?
C42 C41 C40 120.8(12) . . ?
C42 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
C41 C42 C48 122.1(12) . . ?
C41 C42 H42 119.0 . . ?
C48 C42 H42 119.0 . . ?
C44 C43 C48 121.6(13) . . ?
C44 C43 H43 119.2 . . ?
C48 C43 H43 119.2 . . ?
C43 C44 C45 118.7(13) . . ?
C43 C44 H44 120.6 . . ?
C45 C44 H44 120.6 . . ?
C46 C45 C44 122.0(14) . . ?
C46 C45 H45 119.0 . . ?
C44 C45 H45 119.0 . . ?
C45 C46 C47 120.4(13) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 H46 119.8 . . ?
C46 C47 C48 118.9(11) . . ?
C46 C47 C39 123.1(11) . . ?
C48 C47 C39 118.0(11) . . ?
C42 C48 C47 119.1(11) . . ?
C42 C48 C43 122.7(12) . . ?
C47 C48 C43 118.2(13) . . ?
Sb3 C49 H49A 109.5 . . ?
Sb3 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
Sb3 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
Sb3 C50 H50A 109.5 . . ?
Sb3 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
Sb3 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Sb4 C51 H51A 109.5 . . ?
Sb4 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Sb4 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Sb4 C52 H52A 109.5 . . ?
Sb4 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Sb4 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O5 C53 Mo2 179.0(12) . . ?
O6 C54 Mo2 177.2(11) . . ?
O7 C55 Mo2 177.7(12) . . ?
O8 C56 Mo2 177.5(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C1 C11 C12 -76.8(15) . . . . ?
C30 C29 C39 C40 76.4(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.670
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.248

#===END OF CIF ==============================================================
#
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#===END OF FILE =============================================================