#------------------------------------------------------------------------------
#$Date: 2021-10-15 01:13:57 +0300 (Fri, 15 Oct 2021) $
#$Revision: 269952 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/49/1564922.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1564922
loop_
_publ_author_name
'Dütsch, Luis'
'Riesinger, Christoph'
'Balazs, Gabor'
'Seidl, Michael'
'Scheer, Manfred'
_publ_section_title
;
 Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2
 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition
 Metals
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC04924K
_journal_year                    2021
_chemical_formula_moiety
'C28 H20 As2 Mo4 O8 Sb2, 2(Al C16 Cl12 F24 O4)'
_chemical_formula_sum            'C60 H20 Al2 As2 Cl24 F48 Mo4 O16 Sb2'
_chemical_formula_weight         3590.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-07-28
_audit_creation_method
;
Olex2 1.5-alpha
(compiled 2021.07.19 svn.r715e62df for OlexSys, GUI svn.r6380)
;
_audit_update_record
;
2021-08-24 deposited with the CCDC.	2021-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.9690(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.6398(2)
_cell_length_b                   23.2138(2)
_cell_length_c                   23.1270(2)
_cell_measurement_reflns_used    33990
_cell_measurement_temperature    123.0(1)
_cell_measurement_theta_max      73.8630
_cell_measurement_theta_min      3.8590
_cell_volume                     10202.27(18)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41h (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector_area_resol_mean 4.2047
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -24.00  69.00   1.00    2.50    --   44.92 -57.00-120.00   93
  2  ω    -27.00  75.00   1.00    2.50    --   44.92 -77.00  30.00  102
  3  ω     73.00 176.00   1.00   10.00    --  104.50 125.00   0.00  103
  4  ω     23.00 109.00   1.00   10.00    --  104.50 -94.00   0.00   86
  5  ω     68.00 178.00   1.00   10.00    --  104.50  15.00  60.00  110
  6  ω     33.00 121.00   1.00   10.00    --  104.50-125.00-150.00   88
  7  ω     82.00 173.00   1.00   10.00    --  104.50  45.00 120.00   91
  8  ω     15.00 117.00   1.00    2.50    --   44.92  77.00-150.00  102
  9  ω     21.00 113.00   1.00    2.50    --   44.92  57.00 -30.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            58041
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.031
_diffrn_reflns_theta_min         3.808
_exptl_absorpt_coefficient_mu    16.089
_exptl_absorpt_correction_T_max  0.719
_exptl_absorpt_correction_T_min  0.477
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41h (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.338
_exptl_crystal_description       block
_exptl_crystal_F_000             6840
_exptl_crystal_recrystallization_method
'The material was recrystallised from a mixture of CH2Cl2 and hexane  by solvent layering'
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.903
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1675
_refine_ls_number_reflns         20043
_refine_ls_number_restraints     587
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0769P)²+22.0108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1181
_refine_ls_wR_factor_ref         0.1233
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18107
_reflns_number_total             20043
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc04924k2.cif
_cod_data_source_block           ld196_cr014_abs
_cod_original_cell_volume        10202.27(17)
_cod_database_code               1564922
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.271
_shelx_estimated_absorpt_t_min   0.096
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F6A-C31A \\sim F4A-C31A \\sim F5A-C31A \\sim F4B-C31B \\sim F5B-C31B \\sim
F3A-C30A \\sim F1A-C30A ~
 F2A-C30A \\sim F2B-C30B \\sim F3B-C30B \\sim F1B-C30B
 with sigma of 0.02
 Al2-O14A \\sim Al2-O14
 with sigma of 0.02
 C30B-C29 \\sim C30A-C29 \\sim C31A-C29 \\sim C31B-C29 \\sim C32B-C29 \\sim
C32A-C29
 with sigma of 0.02
 Al1-O12B \\sim Al1-O12A
 with sigma of 0.02
 Cl2-C32A \\sim Cl3A-C32A \\sim Cl1-C32A \\sim Cl3B-C32B
 with sigma of 0.02
 C44B-F23B \\sim C44B-F24B \\sim C44B-F22B
 with sigma of 0.02
 F23B-F24B \\sim F24B-F22B \\sim F22B-F23B
 with sigma of 0.03
 C42A-C41A \\sim C42B-C41B \\sim C44A-C41A \\sim C43-C41A
 with sigma of 0.02
 C44B-C41B \\sim C42B-C41B \\sim C44A-C41A \\sim C43-C41A \\sim C42A-C41A
 with sigma of 0.02
 Sb2-As2 \\sim Sb2B-As2B \\sim Sb1-As1 \\sim Sb1B-As1B
 with sigma of 0.02
 Sb2B-As1B \\sim Sb1-As2
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F25 \\sim C46 \\sim F26 \\sim F27: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.7A
F36 \\sim C52: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.01 within 1.7A
C53 \\sim O15A \\sim O15 \\sim Al2: within 1.8A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.8A
C30B \\sim C29 \\sim C30A \\sim C31B \\sim C31A \\sim C32B \\sim C32A: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
F22B \\sim C44B \\sim F23B \\sim F24B \\sim C41B: within 1.99A with sigma of
0.01 and sigma for terminal atoms of 0.01 within 1.99A
F3B \\sim F1B \\sim C30B \\sim F2B: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 1.7A
F20B \\sim C43: within 1.7A with sigma of 0.01 and sigma for terminal atoms of
0.01 within 1.7A
F19B \\sim F21B \\sim C43: within 1.99A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 1.99A
C44B \\sim C41B \\sim C41A \\sim C43 \\sim C44A \\sim C42B: within 1.99A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 1.99A
C42B \\sim Cl10 \\sim Cl1A: within 1.99A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.99A
Sb1B \\sim As1 \\sim As1B \\sim Sb1 \\sim Sb2B \\sim As2 \\sim As2B \\sim Sb2:
within 3.2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.2A
C11 \\sim C12 \\sim C10 \\sim C9 \\sim C8: within 1.7A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 1.7A
Cl1B \\sim Cl21 \\sim C54: within 1.99A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.99A
Al1: within 3A with sigma of 0.0001 and sigma for terminal atoms of 0.0002
within 3A
Uanis(O14A) \\sim Ueq, Uanis(O14) \\sim Ueq: with sigma of 0.003 and sigma for
terminal atoms of 0.02
Uanis(F4B) \\sim Ueq, Uanis(F5B) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.005
Uanis(F20B) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.003
Uanis(F3B) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.02
Uanis(F22B) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.005
Uanis(C25) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C26)
\\sim Ueq, Uanis(C22) \\sim Ueq: with sigma of 0.003 and sigma for terminal
atoms of 0.01
Uanis(C41A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.02
Uanis(C11) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(O12A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.02
Uanis(O12B) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: Cl21(0.7) O14(0.6) Cl11(0.85) Cl12(0.85) F20A(0.85) F21A(0.85)
 F19A(0.85) F22A(0.85) F23A(0.85) F24A(0.85) C41A(0.85) C42A(0.85) C44A(0.85)
 Cl3A(0.85) F1A(0.85) F2A(0.85) F4A(0.85) F5A(0.85) C30A(0.85) O15A(0.5)
 O15(0.5) Cl3(0.15) C42B(0.15) Cl1A(0.15) C41B(0.15) F19B(0.15) F21B(0.15)
 F20B(0.15) Sb2(0.84) Sb1(0.84) As2(0.84) As1(0.84) C32A(0.85) C31A(0.85)
 F6A(0.85) As2B(0.16) Sb2B(0.16) Sb1B(0.16) As1B(0.16) C44B(0.15) F23B(0.15)
 F24B(0.15) F22B(0.15) C32B(0.15) Cl3B(0.15) C31B(0.15) F4B(0.15) F5B(0.15)
 C30B(0.15) F2B(0.15) F3B(0.15) F1B(0.15) O12A(0.45) O12B(0.55) Cl1B(0.3)
 O14A(0.4)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.58485(2) 0.53934(2) 0.74173(2) 0.01204(8) Uani 1 1 d . . . . .
Mo2 Mo 0.63823(2) 0.56429(2) 0.63402(2) 0.01403(9) Uani 1 1 d . . . . .
Mo3 Mo 0.86912(2) 0.40352(2) 0.87185(2) 0.01111(8) Uani 1 1 d . . . . .
Mo4 Mo 0.93529(2) 0.48025(2) 0.79249(2) 0.01133(8) Uani 1 1 d . . . . .
Cl1 Cl 1.31633(7) 0.48854(6) 0.67987(8) 0.0398(4) Uani 1 1 d D . . . .
Cl5 Cl 1.31076(6) 0.18171(6) 0.59342(6) 0.0286(3) Uani 1 1 d . . . . .
Cl6 Cl 1.26885(7) 0.11624(5) 0.47994(6) 0.0260(3) Uani 1 1 d . . . . .
Cl4 Cl 1.19149(7) 0.10782(5) 0.55881(6) 0.0270(3) Uani 1 1 d . . . . .
Cl7 Cl 0.94895(7) 0.44242(6) 0.37560(6) 0.0303(3) Uani 1 1 d . . . . .
Cl9 Cl 1.09614(7) 0.41368(6) 0.41928(6) 0.0293(3) Uani 1 1 d . . . . .
Cl8 Cl 0.99313(7) 0.33528(6) 0.34078(5) 0.0311(3) Uani 1 1 d . . . . .
Cl10 Cl 0.97897(6) 0.29385(6) 0.64668(6) 0.0284(3) Uani 1 1 d . U . . .
Cl13 Cl 0.43086(8) 0.38888(7) -0.15438(6) 0.0378(3) Uani 1 1 d . . . . .
Cl14 Cl 0.57702(8) 0.35946(6) -0.11426(6) 0.0363(3) Uani 1 1 d . . . . .
Cl15 Cl 0.53618(7) 0.45863(5) -0.06448(7) 0.0298(3) Uani 1 1 d . . . . .
Cl16 Cl 0.69689(7) 0.11661(6) 0.08955(6) 0.0303(3) Uani 1 1 d . . . . .
Cl17 Cl 0.80485(7) 0.19996(6) 0.14229(6) 0.0297(3) Uani 1 1 d . . . . .
Cl18 Cl 0.80913(8) 0.12542(6) 0.04563(7) 0.0339(3) Uani 1 1 d . . . . .
Cl19 Cl 0.77946(8) 0.51309(6) 0.17666(7) 0.0351(3) Uani 1 1 d . . . . .
Cl20 Cl 0.77763(7) 0.41210(6) 0.24735(6) 0.0302(3) Uani 1 1 d . . . . .
Cl21 Cl 0.6499(2) 0.46141(16) 0.15902(18) 0.0290(7) Uani 0.7 1 d . U P A 1
Cl22 Cl 0.55043(7) 0.17809(6) 0.23412(6) 0.0294(3) Uani 1 1 d . . . . .
Cl23 Cl 0.55185(7) 0.16416(5) 0.11090(6) 0.0276(3) Uani 1 1 d . . . . .
Cl24 Cl 0.45862(6) 0.24485(6) 0.12986(6) 0.0272(3) Uani 1 1 d . . . . .
Al1 Al 1.14047(6) 0.30253(5) 0.55709(6) 0.0091(2) Uani 1 1 d D . . . .
Al2 Al 0.64084(6) 0.30695(5) 0.07237(6) 0.0109(2) Uani 1 1 d D U . . .
F7 F 1.29018(17) 0.24824(14) 0.48031(19) 0.0371(8) Uani 1 1 d . . . . .
F8 F 1.1924(2) 0.29443(14) 0.43839(19) 0.0408(9) Uani 1 1 d . . . . .
F9 F 1.2080(2) 0.21537(17) 0.39755(16) 0.0416(9) Uani 1 1 d . . . . .
F10 F 1.11505(17) 0.13743(15) 0.42103(16) 0.0369(8) Uani 1 1 d . . . . .
F11 F 1.08169(17) 0.22555(15) 0.40469(13) 0.0315(7) Uani 1 1 d . . . . .
F12 F 1.07248(15) 0.18026(13) 0.48092(16) 0.0274(7) Uani 1 1 d . . . . .
F15 F 0.93960(15) 0.42103(13) 0.49822(14) 0.0246(6) Uani 1 1 d . . . . .
F13 F 1.04465(16) 0.44902(12) 0.51308(14) 0.0235(6) Uani 1 1 d . . . . .
F14 F 1.02964(16) 0.38178(12) 0.56922(13) 0.0225(6) Uani 1 1 d . . . . .
F17 F 0.95368(16) 0.26519(13) 0.42625(15) 0.0283(7) Uani 1 1 d . . . . .
F18 F 0.88459(15) 0.33848(15) 0.40597(15) 0.0317(7) Uani 1 1 d . . . . .
F16 F 0.93197(15) 0.30456(13) 0.49970(14) 0.0251(6) Uani 1 1 d . . . . .
F28 F 0.44887(17) 0.34451(15) 0.03616(16) 0.0334(7) Uani 1 1 d . . . . .
F29 F 0.41642(18) 0.41191(16) -0.03280(18) 0.0398(9) Uani 1 1 d . . . . .
F30 F 0.5148(2) 0.41726(15) 0.04642(16) 0.0352(8) Uani 1 1 d . . . . .
F25 F 0.4874(2) 0.25277(14) -0.01140(18) 0.0483(10) Uani 1 1 d . U . . .
F26 F 0.4863(3) 0.26885(15) -0.10286(18) 0.0546(11) Uani 1 1 d . U . . .
F27 F 0.4004(2) 0.29798(18) -0.07870(18) 0.0513(11) Uani 1 1 d . U . . .
F33 F 0.7596(2) 0.21579(15) -0.05377(16) 0.0373(8) Uani 1 1 d . . . . .
F31 F 0.81613(17) 0.25645(14) 0.03452(18) 0.0357(8) Uani 1 1 d . . . . .
F32 F 0.7223(2) 0.29531(15) -0.0303(2) 0.0476(10) Uani 1 1 d . . . . .
F34 F 0.6625(3) 0.1341(2) -0.05247(18) 0.0589(12) Uani 1 1 d . . . . .
F35 F 0.6207(2) 0.2193(2) -0.08247(18) 0.0603(13) Uani 1 1 d . . . . .
F36 F 0.59065(19) 0.1726(2) -0.0167(2) 0.0647(14) Uani 1 1 d . U . . .
F38 F 0.6798(2) 0.47727(19) 0.04652(18) 0.0461(10) Uani 1 1 d . . . . .
F39 F 0.7118(2) 0.40337(19) 0.00942(16) 0.0512(11) Uani 1 1 d . . . . .
F37 F 0.78805(19) 0.46742(15) 0.05895(17) 0.0370(8) Uani 1 1 d . . . . .
F42 F 0.87367(17) 0.41748(16) 0.17113(17) 0.0359(8) Uani 1 1 d . . . . .
F40 F 0.8345(2) 0.36052(18) 0.09157(19) 0.0518(11) Uani 1 1 d . . . . .
F41 F 0.8329(2) 0.33438(15) 0.17999(19) 0.0455(9) Uani 1 1 d . . . . .
F44 F 0.55967(18) 0.30283(14) 0.25453(15) 0.0312(7) Uani 1 1 d . . . . .
F45 F 0.53696(17) 0.35134(13) 0.17001(15) 0.0301(7) Uani 1 1 d . . . . .
F43 F 0.64196(16) 0.34878(13) 0.24009(15) 0.0273(6) Uani 1 1 d . . . . .
F48 F 0.68537(17) 0.24391(15) 0.28341(14) 0.0299(7) Uani 1 1 d . . . . .
F46 F 0.72651(15) 0.27311(14) 0.21608(15) 0.0285(7) Uani 1 1 d . . . . .
F47 F 0.68750(16) 0.18679(13) 0.21081(15) 0.0281(7) Uani 1 1 d . . . . .
O1 O 0.5930(2) 0.67348(15) 0.76114(18) 0.0268(8) Uani 1 1 d . . . . .
O2 O 0.6579(3) 0.5197(2) 0.8864(2) 0.0428(11) Uani 1 1 d . . . . .
O3 O 0.7653(2) 0.51746(17) 0.60513(18) 0.0297(8) Uani 1 1 d . . . . .
O4 O 0.5411(3) 0.4658(2) 0.5534(2) 0.0490(13) Uani 1 1 d . . . . .
O5 O 0.9188(2) 0.30388(15) 0.80665(18) 0.0300(9) Uani 1 1 d . . . . .
O6 O 1.01832(19) 0.43836(16) 0.97164(17) 0.0253(8) Uani 1 1 d . . . . .
O7 O 1.0289(2) 0.5553(2) 0.90771(19) 0.0355(9) Uani 1 1 d . . . . .
O8 O 0.8760(2) 0.59288(16) 0.71509(19) 0.0330(9) Uani 1 1 d . . . . .
O9 O 1.19403(17) 0.36269(14) 0.57998(16) 0.0211(7) Uani 1 1 d . . . . .
O10 O 1.18228(16) 0.24525(13) 0.53736(14) 0.0150(6) Uani 1 1 d . . . . .
O11 O 1.06769(16) 0.32215(13) 0.49085(14) 0.0133(6) Uani 1 1 d . . . . .
O13 O 0.57708(18) 0.33733(16) 0.00694(16) 0.0235(8) Uani 1 1 d . . . . .
O14 O 0.6862(4) 0.2516(3) 0.0578(4) 0.0172(18) Uani 0.6 1 d D U P B 1
O16 O 0.60288(18) 0.28150(15) 0.12242(16) 0.0198(7) Uani 1 1 d . . . . .
C1 C 0.4727(3) 0.5259(3) 0.6571(3) 0.0335(13) Uani 1 1 d . . . . .
H1 H 0.463438 0.536158 0.614804 0.040 Uiso 1 1 calc R U . . .
C2 C 0.4654(3) 0.5613(3) 0.7038(3) 0.0320(13) Uani 1 1 d . . . . .
H2 H 0.449297 0.599997 0.697696 0.038 Uiso 1 1 calc R U . . .
C3 C 0.4862(3) 0.5296(3) 0.7632(4) 0.0383(15) Uani 1 1 d . . . . .
H3 H 0.486186 0.543837 0.801700 0.046 Uiso 1 1 calc R U . . .
C4 C 0.5062(3) 0.4737(2) 0.7520(3) 0.0336(14) Uani 1 1 d . . . . .
H4 H 0.522570 0.443484 0.781989 0.040 Uiso 1 1 calc R U . . .
C5 C 0.4974(3) 0.4708(3) 0.6868(3) 0.0326(13) Uani 1 1 d . . . . .
H5 H 0.506322 0.437806 0.666734 0.039 Uiso 1 1 calc R U . . .
C6 C 0.5932(2) 0.6250(2) 0.7544(2) 0.0164(9) Uani 1 1 d . . . . .
C7 C 0.6327(3) 0.5267(3) 0.8343(3) 0.0305(12) Uani 1 1 d . . . . .
C8 C 0.5554(3) 0.6219(2) 0.5593(3) 0.0300(12) Uani 1 1 d . U . . .
H8 H 0.510791 0.606921 0.532882 0.036 Uiso 1 1 calc R U . . .
C9 C 0.5711(3) 0.6495(2) 0.6172(2) 0.0210(10) Uani 1 1 d . U . . .
H9 H 0.538975 0.656490 0.636667 0.025 Uiso 1 1 calc R U . . .
C10 C 0.6432(3) 0.6653(2) 0.6416(3) 0.0274(11) Uani 1 1 d . U . . .
H10 H 0.668015 0.684595 0.680155 0.033 Uiso 1 1 calc R U . . .
C11 C 0.6713(4) 0.6470(3) 0.5980(3) 0.0393(14) Uani 1 1 d . U . . .
H11 H 0.718615 0.651960 0.602224 0.047 Uiso 1 1 calc R U . . .
C12 C 0.6174(4) 0.6200(3) 0.5471(3) 0.0392(14) Uani 1 1 d . U . . .
H12 H 0.621963 0.603673 0.511175 0.047 Uiso 1 1 calc R U . . .
C13 C 0.7195(3) 0.5324(2) 0.6164(2) 0.0221(10) Uani 1 1 d . . . . .
C14 C 0.5767(3) 0.5004(2) 0.5840(2) 0.0281(12) Uani 1 1 d . . . . .
C15 C 0.8465(3) 0.3986(3) 0.9615(2) 0.0280(12) Uani 1 1 d . . . . .
H15 H 0.872613 0.421431 0.997028 0.034 Uiso 1 1 calc R U . . .
C16 C 0.7829(3) 0.4142(3) 0.9128(2) 0.0250(11) Uani 1 1 d . . . . .
H16 H 0.758252 0.449386 0.909346 0.030 Uiso 1 1 calc R U . . .
C17 C 0.7622(3) 0.3677(2) 0.8697(2) 0.0245(11) Uani 1 1 d . . . . .
H17 H 0.720962 0.366620 0.832123 0.029 Uiso 1 1 calc R U . . .
C18 C 0.8122(3) 0.3239(2) 0.8913(3) 0.0276(12) Uani 1 1 d . . . . .
H18 H 0.811012 0.287875 0.871404 0.033 Uiso 1 1 calc R U . . .
C19 C 0.8649(3) 0.3428(3) 0.9482(2) 0.0267(12) Uani 1 1 d . . . . .
H19 H 0.905716 0.321744 0.973338 0.032 Uiso 1 1 calc R U . . .
C20 C 0.9042(3) 0.3422(2) 0.8297(2) 0.0189(9) Uani 1 1 d . . . . .
C21 C 0.9666(2) 0.4261(2) 0.9332(2) 0.0165(9) Uani 1 1 d . . . . .
C22 C 1.0078(2) 0.4035(2) 0.7875(2) 0.0200(10) Uani 1 1 d . U . . .
H22 H 1.017303 0.371174 0.814722 0.024 Uiso 1 1 calc R U . . .
C23 C 1.0472(3) 0.4547(3) 0.7992(3) 0.0268(11) Uani 1 1 d . U . . .
H23 H 1.088119 0.462721 0.835600 0.032 Uiso 1 1 calc R U . . .
C24 C 1.0159(3) 0.4921(2) 0.7480(2) 0.0251(11) Uani 1 1 d . U . . .
H24 H 1.031504 0.529726 0.743789 0.030 Uiso 1 1 calc R U . . .
C25 C 0.9568(3) 0.4634(2) 0.7039(2) 0.0205(10) Uani 1 1 d . U . . .
H25 H 0.925809 0.478354 0.664589 0.025 Uiso 1 1 calc R U . . .
C26 C 0.9518(2) 0.4085(2) 0.7284(2) 0.0180(9) Uani 1 1 d . U . . .
H26 H 0.916970 0.380154 0.708606 0.022 Uiso 1 1 calc R U . . .
C27 C 0.9927(3) 0.5281(2) 0.8668(2) 0.0213(10) Uani 1 1 d . . . . .
C28 C 0.8965(3) 0.5531(2) 0.7450(2) 0.0206(10) Uani 1 1 d . . . . .
C33 C 1.1885(2) 0.2098(2) 0.4944(2) 0.0136(8) Uani 1 1 d . . . . .
C34 C 1.2375(2) 0.1562(2) 0.5286(2) 0.0163(9) Uani 1 1 d . . . . .
C35 C 1.2206(3) 0.2420(2) 0.4520(3) 0.0268(11) Uani 1 1 d . . . . .
C36 C 1.1135(3) 0.1876(2) 0.4491(2) 0.0210(10) Uani 1 1 d . . . . .
C37 C 1.0100(2) 0.3556(2) 0.4647(2) 0.0140(9) Uani 1 1 d . . . . .
C38 C 1.0114(3) 0.3855(2) 0.4030(2) 0.0208(10) Uani 1 1 d . . . . .
C39 C 1.0055(2) 0.4028(2) 0.5118(2) 0.0173(9) Uani 1 1 d . . . . .
C40 C 0.9437(2) 0.3156(2) 0.4480(2) 0.0201(10) Uani 1 1 d . . . . .
C45 C 0.5108(3) 0.3491(2) -0.0323(2) 0.0177(9) Uani 1 1 d . . . . .
C47 C 0.5123(3) 0.3872(2) -0.0892(2) 0.0225(10) Uani 1 1 d . . . . .
C48 C 0.4713(3) 0.3819(2) 0.0046(2) 0.0233(10) Uani 1 1 d . . . . .
C46 C 0.4695(4) 0.2915(3) -0.0567(3) 0.0395(14) Uani 1 1 d . U . . .
C49 C 0.7063(2) 0.2125(2) 0.0227(2) 0.0190(10) Uani 1 1 d . . . . .
C50 C 0.7525(3) 0.1656(2) 0.0713(2) 0.0184(9) Uani 1 1 d . . . . .
C51 C 0.7519(3) 0.2452(2) -0.0074(3) 0.0263(11) Uani 1 1 d . . . . .
C52 C 0.6453(3) 0.1834(3) -0.0323(3) 0.0439(16) Uani 1 1 d . U . . .
C53 C 0.7466(3) 0.4034(2) 0.1203(2) 0.0248(11) Uani 1 1 d . U . . .
C54 C 0.7395(3) 0.4444(3) 0.1725(3) 0.0270(11) Uani 1 1 d . U . . .
C55 C 0.7306(4) 0.4394(3) 0.0577(3) 0.0348(14) Uani 1 1 d . . . . .
C56 C 0.8237(3) 0.3784(2) 0.1419(3) 0.0341(13) Uani 1 1 d . . . . .
C57 C 0.6020(2) 0.2642(2) 0.1775(2) 0.0143(9) Uani 1 1 d . . . . .
C58 C 0.5436(3) 0.2151(2) 0.1644(2) 0.0200(10) Uani 1 1 d . . . . .
C59 C 0.5845(3) 0.3173(2) 0.2111(2) 0.0221(10) Uani 1 1 d . . . . .
C60 C 0.6761(3) 0.2419(2) 0.2224(2) 0.0214(10) Uani 1 1 d . . . . .
Cl11 Cl 1.10975(11) 0.35356(9) 0.71310(10) 0.0281(4) Uani 0.85 1 d . . P C 1
Cl12 Cl 1.07428(8) 0.25396(8) 0.76786(6) 0.0285(3) Uani 0.85 1 d . . P C 1
F20A F 1.2169(2) 0.26576(19) 0.74753(18) 0.0348(9) Uani 0.85 1 d . . P D 1
F21A F 1.2191(2) 0.20838(18) 0.67605(19) 0.0315(9) Uani 0.85 1 d . . P D 1
F19A F 1.1762(2) 0.1801(2) 0.7418(2) 0.0346(10) Uani 0.85 1 d . . P D 1
F22A F 1.1003(2) 0.15128(16) 0.6205(2) 0.0356(9) Uani 0.85 1 d . . P C 1
F23A F 1.0106(3) 0.2049(4) 0.5734(4) 0.0330(19) Uani 0.85 1 d . . P C 1
F24A F 1.0300(2) 0.16949(18) 0.6653(2) 0.0323(9) Uani 0.85 1 d . . P C 1
C41A C 1.1064(3) 0.2478(2) 0.6601(3) 0.0154(11) Uani 0.85 1 d D U P C 1
C42A C 1.0695(3) 0.2857(3) 0.6962(2) 0.0169(11) Uani 0.85 1 d D . P C 1
C43 C 1.1798(3) 0.2246(2) 0.7072(2) 0.0248(10) Uani 1 1 d D U . . .
C44A C 1.0604(3) 0.1927(3) 0.6304(3) 0.0221(12) Uani 0.85 1 d D U P C 1
Cl3A Cl 1.20959(10) 0.49706(8) 0.55602(10) 0.0421(4) Uani 0.85 1 d D . P E 1
Cl2 Cl 1.17395(7) 0.45473(7) 0.65352(8) 0.0385(4) Uani 1 1 d D . . . .
F1A F 1.3498(2) 0.4283(2) 0.5822(2) 0.0446(12) Uani 0.85 1 d D . P F 1
F2A F 1.2561(3) 0.3997(3) 0.5060(2) 0.0403(15) Uani 0.85 1 d D . P F 1
F3A F 1.32669(19) 0.33633(18) 0.56914(17) 0.0455(10) Uani 1 1 d D . . . .
F4A F 1.37044(19) 0.36913(18) 0.68989(19) 0.0314(9) Uani 0.85 1 d D . P G 1
F5A F 1.2936(3) 0.3010(2) 0.6612(3) 0.0373(12) Uani 0.85 1 d D . P G 1
C29 C 1.2548(2) 0.3907(2) 0.6087(2) 0.0177(9) Uani 1 1 d D U . . .
C30A C 1.2971(3) 0.3895(3) 0.5660(3) 0.0284(13) Uani 0.85 1 d D U P F 1
O15A O 0.7126(5) 0.3525(5) 0.1108(6) 0.021(2) Uani 0.5 1 d . U P B 1
O15 O 0.6924(5) 0.3651(5) 0.1096(6) 0.018(2) Uani 0.5 1 d . U P B 2
Cl3 Cl 1.0326(4) 0.1797(4) 0.7004(6) 0.032(2) Uani 0.15 1 d . . P C 2
C42B C 1.0436(15) 0.2318(15) 0.6524(15) 0.022(3) Uani 0.15 1 d D U P C 2
Cl1A Cl 1.0320(8) 0.1976(10) 0.5817(10) 0.026(3) Uani 0.15 1 d . U P C 2
C41B C 1.1189(15) 0.2619(14) 0.6768(15) 0.020(3) Uani 0.15 1 d D U P C 2
F19B F 1.1831(13) 0.2064(11) 0.7644(12) 0.031(4) Uani 0.15 1 d . U P D 2
F21B F 1.1662(11) 0.1693(9) 0.6753(10) 0.028(4) Uani 0.15 1 d . U P D 2
F20B F 1.2391(9) 0.2370(9) 0.7070(9) 0.018(3) Uani 0.15 1 d . U P D 2
Sb2 Sb 0.80151(6) 0.43613(5) 0.75044(6) 0.01335(18) Uani 0.84 1 d D U P H 1
Sb1 Sb 0.72258(4) 0.56508(4) 0.75878(5) 0.01363(16) Uani 0.84 1 d D U P H 1
As2 As 0.85711(8) 0.51106(12) 0.85004(11) 0.0141(3) Uani 0.84 1 d D U P H 1
As1 As 0.65450(10) 0.47127(10) 0.70133(10) 0.0151(3) Uani 0.84 1 d D U P H 1
C32A C 1.2405(3) 0.4541(2) 0.6252(3) 0.0213(11) Uani 0.85 1 d D U P E 1
C31A C 1.3017(3) 0.3573(2) 0.6712(3) 0.0217(11) Uani 0.85 1 d D U P G 1
F6A F 1.2822(3) 0.3685(2) 0.7186(2) 0.0336(10) Uani 0.85 1 d D . P G 1
As2B As 0.8135(6) 0.4261(5) 0.7551(6) 0.0218(18) Uani 0.16 1 d D U P H 2
Sb2B Sb 0.8375(3) 0.5118(4) 0.8413(4) 0.0169(10) Uani 0.16 1 d D U P H 2
Sb1B Sb 0.6723(3) 0.4711(4) 0.7144(3) 0.0203(11) Uani 0.16 1 d D U P H 2
As1B As 0.7090(5) 0.5777(4) 0.7565(6) 0.0201(17) Uani 0.16 1 d D U P H 2
C44B C 1.1197(10) 0.3089(11) 0.7273(12) 0.026(4) Uani 0.15 1 d D U P C 2
F23B F 1.0846(13) 0.3568(14) 0.6991(15) 0.031(6) Uani 0.15 1 d D U P C 2
F24B F 1.1879(10) 0.3223(9) 0.7606(9) 0.030(4) Uani 0.15 1 d D U P C 2
F22B F 1.0927(10) 0.2881(10) 0.7676(9) 0.025(4) Uani 0.15 1 d D U P C 2
C32B C 1.2535(17) 0.4350(9) 0.6588(9) 0.021(4) Uani 0.15 1 d D U P F 2
Cl3B Cl 1.2764(7) 0.3960(7) 0.7296(6) 0.043(3) Uani 0.15 1 d D . P F 2
C31B C 1.3220(8) 0.3527(8) 0.6249(13) 0.023(4) Uani 0.15 1 d D U P F 2
F4B F 1.3150(14) 0.3050(12) 0.6535(14) 0.024(7) Uani 0.15 1 d D U P F 2
F5B F 1.3801(9) 0.3806(9) 0.6610(10) 0.023(4) Uani 0.15 1 d D U P F 2
C30B C 1.2560(11) 0.4242(9) 0.5487(9) 0.032(3) Uani 0.15 1 d D U P F 2
F2B F 1.2109(13) 0.4685(10) 0.5297(13) 0.042(5) Uani 0.15 1 d D U P F 2
F3B F 1.2310(15) 0.3918(13) 0.4961(13) 0.029(5) Uani 0.15 1 d D U P F 2
F1B F 1.3187(12) 0.4470(11) 0.5549(13) 0.033(4) Uani 0.15 1 d D U P F 2
O12A O 1.1256(4) 0.2871(4) 0.6250(4) 0.0103(18) Uani 0.45 1 d D U P C 1
O12B O 1.1093(4) 0.2762(3) 0.6114(3) 0.0105(15) Uani 0.55 1 d D U P C 2
Cl1B Cl 0.6482(5) 0.4432(3) 0.1474(5) 0.0275(17) Uani 0.3 1 d . U P A 2
O14A O 0.6698(6) 0.2451(5) 0.0434(6) 0.014(3) Uani 0.4 1 d D U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-9 9 10 0.0590
-8 -10 10 0.0688
8 10 -9 0.0587
9 -9 -9 0.0457
-4 -14 5 0.0762
4 14 -5 0.0762
9 5 5 0.1227
8 -1 8 0.1228
-5 7 -9 0.1202
-9 -5 -5 0.1232
-5 -14 4 0.0772
-11 3 -2 0.1032
-12 -4 1 0.0970
9 10 -9 0.0552
-8 -11 8 0.0596
-11 8 8 0.0678
-11 -7 10 0.0579
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
C1 Mo1 Mo2 84.37(15) . . ?
C1 Mo1 Sb1 138.74(15) . . ?
C1 Mo1 As1 97.05(14) . . ?
C1 Mo1 Sb1B 104.88(19) . . ?
C1 Mo1 As1B 137.5(3) . . ?
C2 Mo1 Mo2 107.95(16) . . ?
C2 Mo1 C1 34.7(2) . . ?
C2 Mo1 C5 58.1(2) . . ?
C2 Mo1 Sb1 151.77(15) . . ?
C2 Mo1 As1 131.60(16) . . ?
C2 Mo1 Sb1B 139.4(2) . . ?
C2 Mo1 As1B 144.8(2) . . ?
C3 Mo1 Mo2 143.7(2) . . ?
C3 Mo1 C1 60.5(2) . . ?
C3 Mo1 C2 37.0(2) . . ?
C3 Mo1 C4 35.9(2) . . ?
C3 Mo1 C5 59.5(2) . . ?
C3 Mo1 Sb1 159.83(19) . . ?
C3 Mo1 As1 134.11(16) . . ?
C3 Mo1 Sb1B 137.5(2) . . ?
C3 Mo1 As1B 156.7(3) . . ?
C4 Mo1 Mo2 132.98(17) . . ?
C4 Mo1 C1 60.3(2) . . ?
C4 Mo1 C2 59.9(2) . . ?
C4 Mo1 C5 36.0(2) . . ?
C4 Mo1 Sb1 148.21(16) . . ?
C4 Mo1 As1 98.55(15) . . ?
C4 Mo1 Sb1B 101.6(2) . . ?
C4 Mo1 As1B 155.2(2) . . ?
C5 Mo1 Mo2 97.39(16) . . ?
C5 Mo1 C1 35.4(2) . . ?
C5 Mo1 Sb1 138.06(14) . . ?
C5 Mo1 As1 78.92(15) . . ?
C5 Mo1 Sb1B 85.3(2) . . ?
C5 Mo1 As1B 143.5(3) . . ?
C6 Mo1 Mo2 84.09(13) . . ?
C6 Mo1 C1 104.4(2) . . ?
C6 Mo1 C2 81.73(19) . . ?
C6 Mo1 C3 95.67(19) . . ?
C6 Mo1 C4 131.55(19) . . ?
C6 Mo1 C5 138.4(2) . . ?
C6 Mo1 Sb1 75.04(13) . . ?
C6 Mo1 As1 129.79(14) . . ?
C6 Mo1 Sb1B 126.7(2) . . ?
C6 Mo1 As1B 67.6(2) . . ?
C7 Mo1 Mo2 134.12(17) . . ?
C7 Mo1 C1 140.5(2) . . ?
C7 Mo1 C2 116.3(2) . . ?
C7 Mo1 C3 82.1(3) . . ?
C7 Mo1 C4 82.3(3) . . ?
C7 Mo1 C5 115.4(2) . . ?
C7 Mo1 C6 90.6(2) . . ?
C7 Mo1 Sb1 80.18(17) . . ?
C7 Mo1 As1 100.85(17) . . ?
C7 Mo1 Sb1B 94.0(2) . . ?
C7 Mo1 As1B 82.0(3) . . ?
Sb1 Mo1 Mo2 54.38(2) . . ?
As1 Mo1 Mo2 53.23(6) . . ?
As1 Mo1 Sb1 59.51(5) . . ?
Sb1B Mo1 Mo2 56.01(18) . . ?
As1B Mo1 Mo2 53.9(3) . . ?
As1B Mo1 Sb1B 60.7(2) . . ?
C8 Mo2 Mo1 108.16(15) . . ?
C8 Mo2 C9 34.90(19) . . ?
C8 Mo2 C10 58.6(2) . . ?
C8 Mo2 Sb1 139.85(14) . . ?
C8 Mo2 As1 143.85(17) . . ?
C8 Mo2 Sb1B 150.8(2) . . ?
C8 Mo2 As1B 131.8(2) . . ?
C9 Mo2 Mo1 85.44(12) . . ?
C9 Mo2 Sb1 105.09(13) . . ?
C9 Mo2 As1 136.39(13) . . ?
C9 Mo2 Sb1B 138.4(2) . . ?
C9 Mo2 As1B 96.96(19) . . ?
C10 Mo2 Mo1 98.25(14) . . ?
C10 Mo2 C9 35.06(18) . . ?
C10 Mo2 Sb1 85.60(15) . . ?
C10 Mo2 As1 142.23(16) . . ?
C10 Mo2 Sb1B 137.7(2) . . ?
C10 Mo2 As1B 79.3(2) . . ?
C11 Mo2 Mo1 133.28(17) . . ?
C11 Mo2 C8 59.1(2) . . ?
C11 Mo2 C9 58.55(19) . . ?
C11 Mo2 C10 35.3(2) . . ?
C11 Mo2 Sb1 102.73(19) . . ?
C11 Mo2 As1 157.04(18) . . ?
C11 Mo2 Sb1B 149.9(2) . . ?
C11 Mo2 As1B 99.9(3) . . ?
C12 Mo2 Mo1 142.84(15) . . ?
C12 Mo2 C8 35.8(2) . . ?
C12 Mo2 C9 58.91(19) . . ?
C12 Mo2 C10 59.3(2) . . ?
C12 Mo2 C11 35.9(3) . . ?
C12 Mo2 Sb1 138.6(2) . . ?
C12 Mo2 As1 158.50(18) . . ?
C12 Mo2 Sb1B 161.3(2) . . ?
C12 Mo2 As1B 135.2(3) . . ?
C13 Mo2 Mo1 131.97(14) . . ?
C13 Mo2 C8 119.4(2) . . ?
C13 Mo2 C9 139.14(19) . . ?
C13 Mo2 C10 111.5(2) . . ?
C13 Mo2 C11 81.1(2) . . ?
C13 Mo2 C12 85.2(2) . . ?
C13 Mo2 Sb1 88.76(15) . . ?
C13 Mo2 As1 83.85(15) . . ?
C13 Mo2 Sb1B 80.5(2) . . ?
C13 Mo2 As1B 96.0(2) . . ?
C14 Mo2 Mo1 88.98(17) . . ?
C14 Mo2 C8 83.1(2) . . ?
C14 Mo2 C9 109.1(2) . . ?
C14 Mo2 C10 141.4(2) . . ?
C14 Mo2 C11 128.3(2) . . ?
C14 Mo2 C12 93.0(3) . . ?
C14 Mo2 C13 90.1(2) . . ?
C14 Mo2 Sb1 128.02(16) . . ?
C14 Mo2 As1 68.66(16) . . ?
C14 Mo2 Sb1B 75.3(2) . . ?
C14 Mo2 As1B 131.7(3) . . ?
Sb1 Mo2 Mo1 55.92(2) . . ?
As1 Mo2 Mo1 51.52(6) . . ?
As1 Mo2 Sb1 59.55(4) . . ?
Sb1B Mo2 Mo1 53.01(17) . . ?
As1B Mo2 Mo1 52.6(2) . . ?
As1B Mo2 Sb1B 58.9(2) . . ?
C15 Mo3 Mo4 145.33(16) . . ?
C15 Mo3 C16 35.27(19) . . ?
C15 Mo3 C17 58.66(19) . . ?
C15 Mo3 C18 59.3(2) . . ?
C15 Mo3 Sb2 138.12(14) . . ?
C15 Mo3 As2 100.94(17) . . ?
C15 Mo3 As2B 143.3(3) . . ?
C15 Mo3 Sb2B 100.0(2) . . ?
C16 Mo3 Mo4 137.19(14) . . ?
C16 Mo3 C17 35.3(2) . . ?
C16 Mo3 Sb2 103.00(14) . . ?
C16 Mo3 As2 86.89(15) . . ?
C16 Mo3 As2B 108.0(3) . . ?
C16 Mo3 Sb2B 81.9(2) . . ?
C17 Mo3 Mo4 142.24(13) . . ?
C17 Mo3 Sb2 88.68(13) . . ?
C17 Mo3 As2 109.06(15) . . ?
C17 Mo3 As2B 91.1(4) . . ?
C17 Mo3 Sb2B 101.57(19) . . ?
C18 Mo3 Mo4 155.31(15) . . ?
C18 Mo3 C16 58.9(2) . . ?
C18 Mo3 C17 34.8(2) . . ?
C18 Mo3 Sb2 109.14(14) . . ?
C18 Mo3 As2 143.33(15) . . ?
C18 Mo3 As2B 108.4(3) . . ?
C18 Mo3 Sb2B 136.2(2) . . ?
C19 Mo3 Mo4 158.97(13) . . ?
C19 Mo3 C15 36.0(2) . . ?
C19 Mo3 C16 59.15(19) . . ?
C19 Mo3 C17 58.57(18) . . ?
C19 Mo3 C18 35.6(2) . . ?
C19 Mo3 Sb2 144.36(15) . . ?
C19 Mo3 As2 136.80(16) . . ?
C19 Mo3 As2B 144.0(3) . . ?
C19 Mo3 Sb2B 135.9(2) . . ?
C20 Mo3 Mo4 78.59(13) . . ?
C20 Mo3 C15 129.8(2) . . ?
C20 Mo3 C16 138.4(2) . . ?
C20 Mo3 C17 104.7(2) . . ?
C20 Mo3 C18 80.6(2) . . ?
C20 Mo3 C19 93.9(2) . . ?
C20 Mo3 C21 94.33(19) . . ?
C20 Mo3 Sb2 80.39(14) . . ?
C20 Mo3 As2 128.65(14) . . ?
C20 Mo3 As2B 74.3(3) . . ?
C20 Mo3 Sb2B 130.2(2) . . ?
C21 Mo3 Mo4 74.33(13) . . ?
C21 Mo3 C15 82.93(19) . . ?
C21 Mo3 C16 113.24(19) . . ?
C21 Mo3 C17 140.99(18) . . ?
C21 Mo3 C18 120.54(19) . . ?
C21 Mo3 C19 86.86(19) . . ?
C21 Mo3 Sb2 128.47(13) . . ?
C21 Mo3 As2 82.98(14) . . ?
C21 Mo3 As2B 127.1(4) . . ?
C21 Mo3 Sb2B 90.88(18) . . ?
Sb2 Mo3 Mo4 54.29(3) . . ?
As2 Mo3 Mo4 51.18(5) . . ?
As2 Mo3 Sb2 63.18(5) . . ?
As2B Mo3 Mo4 52.9(3) . . ?
As2B Mo3 Sb2B 63.6(3) . . ?
Sb2B Mo3 Mo4 55.44(17) . . ?
C22 Mo4 Mo3 91.64(12) . . ?
C22 Mo4 Sb2 105.72(13) . . ?
C22 Mo4 As2 140.97(13) . . ?
C22 Mo4 As2B 99.5(3) . . ?
C22 Mo4 Sb2B 142.9(2) . . ?
C23 Mo4 Mo3 116.83(14) . . ?
C23 Mo4 C22 34.87(19) . . ?
C23 Mo4 C26 58.39(18) . . ?
C23 Mo4 Sb2 139.74(15) . . ?
C23 Mo4 As2 147.71(14) . . ?
C23 Mo4 As2B 133.9(3) . . ?
C23 Mo4 Sb2B 154.40(19) . . ?
C24 Mo4 Mo3 150.15(15) . . ?
C24 Mo4 C22 58.80(19) . . ?
C24 Mo4 C23 35.4(2) . . ?
C24 Mo4 C25 35.97(19) . . ?
C24 Mo4 C26 59.32(18) . . ?
C24 Mo4 Sb2 133.88(14) . . ?
C24 Mo4 As2 156.33(16) . . ?
C24 Mo4 As2B 132.6(3) . . ?
C24 Mo4 Sb2B 157.7(2) . . ?
C25 Mo4 Mo3 133.47(13) . . ?
C25 Mo4 C22 58.63(17) . . ?
C25 Mo4 C23 58.91(18) . . ?
C25 Mo4 C26 35.51(18) . . ?
C25 Mo4 Sb2 97.95(13) . . ?
C25 Mo4 As2 153.21(13) . . ?
C25 Mo4 As2B 96.7(3) . . ?
C25 Mo4 Sb2B 146.67(19) . . ?
C26 Mo4 Mo3 99.57(12) . . ?
C26 Mo4 C22 34.89(17) . . ?
C26 Mo4 Sb2 83.39(12) . . ?
C26 Mo4 As2 143.54(13) . . ?
C26 Mo4 As2B 79.0(3) . . ?
C26 Mo4 Sb2B 139.1(2) . . ?
C27 Mo4 Mo3 93.35(14) . . ?
C27 Mo4 C22 106.7(2) . . ?
C27 Mo4 C23 81.1(2) . . ?
C27 Mo4 C24 91.6(2) . . ?
C27 Mo4 C25 127.31(19) . . ?
C27 Mo4 C26 139.03(19) . . ?
C27 Mo4 C28 88.8(2) . . ?
C27 Mo4 Sb2 133.54(14) . . ?
C27 Mo4 As2 71.39(15) . . ?
C27 Mo4 As2B 135.7(3) . . ?
C27 Mo4 Sb2B 77.6(2) . . ?
C28 Mo4 Mo3 127.72(14) . . ?
C28 Mo4 C22 137.33(18) . . ?
C28 Mo4 C23 115.1(2) . . ?
C28 Mo4 C24 81.8(2) . . ?
C28 Mo4 C25 80.17(19) . . ?
C28 Mo4 C26 112.24(18) . . ?
C28 Mo4 Sb2 89.40(15) . . ?
C28 Mo4 As2 81.48(15) . . ?
C28 Mo4 As2B 95.6(3) . . ?
C28 Mo4 Sb2B 78.6(2) . . ?
Sb2 Mo4 Mo3 53.35(3) . . ?
As2 Mo4 Mo3 50.57(6) . . ?
As2 Mo4 Sb2 62.44(5) . . ?
As2B Mo4 Mo3 50.3(3) . . ?
As2B Mo4 Sb2B 60.4(3) . . ?
Sb2B Mo4 Mo3 51.30(18) . . ?
O9 Al1 O10 111.95(17) . . ?
O9 Al1 O11 106.71(17) . . ?
O9 Al1 O12A 101.8(3) . . ?
O9 Al1 O12B 115.9(3) . . ?
O10 Al1 O12A 111.0(3) . . ?
O11 Al1 O10 108.42(16) . . ?
O11 Al1 O12A 116.8(3) . . ?
O12B Al1 O10 106.4(3) . . ?
O12B Al1 O11 107.1(3) . . ?
O13 Al2 O16 109.66(17) . . ?
O13 Al2 O15A 113.8(4) . . ?
O13 Al2 O15 103.2(4) . . ?
O13 Al2 O14A 104.6(4) . . ?
O14 Al2 O13 115.3(3) . . ?
O14 Al2 O16 107.6(3) . . ?
O14 Al2 O15A 97.7(5) . . ?
O16 Al2 O15A 112.3(5) . . ?
O16 Al2 O14A 106.4(4) . . ?
O15 Al2 O16 106.5(4) . . ?
O15 Al2 O14A 125.8(5) . . ?
C29 O9 Al1 155.2(3) . . ?
C33 O10 Al1 150.2(3) . . ?
C37 O11 Al1 148.7(3) . . ?
C45 O13 Al2 154.9(3) . . ?
C49 O14 Al2 157.7(6) . . ?
C57 O16 Al2 155.8(3) . . ?
Mo1 C1 H1 123.4 . . ?
C2 C1 Mo1 69.9(3) . . ?
C2 C1 H1 127.1 . . ?
C2 C1 C5 105.8(6) . . ?
C5 C1 Mo1 71.3(3) . . ?
C5 C1 H1 127.1 . . ?
Mo1 C2 H2 121.4 . . ?
C1 C2 Mo1 75.3(3) . . ?
C1 C2 H2 124.9 . . ?
C1 C2 C3 110.2(5) . . ?
C3 C2 Mo1 70.0(3) . . ?
C3 C2 H2 124.9 . . ?
Mo1 C3 H3 119.6 . . ?
C2 C3 Mo1 73.0(3) . . ?
C2 C3 H3 126.6 . . ?
C4 C3 Mo1 72.7(3) . . ?
C4 C3 C2 106.8(6) . . ?
C4 C3 H3 126.6 . . ?
Mo1 C4 H4 119.9 . . ?
C3 C4 Mo1 71.4(3) . . ?
C3 C4 H4 126.1 . . ?
C3 C4 C5 107.8(6) . . ?
C5 C4 Mo1 74.4(3) . . ?
C5 C4 H4 126.1 . . ?
Mo1 C5 H5 123.4 . . ?
C1 C5 Mo1 73.4(3) . . ?
C1 C5 H5 125.3 . . ?
C4 C5 Mo1 69.5(3) . . ?
C4 C5 C1 109.4(5) . . ?
C4 C5 H5 125.3 . . ?
O1 C6 Mo1 175.2(4) . . ?
O2 C7 Mo1 178.3(5) . . ?
Mo2 C8 H8 121.1 . . ?
C9 C8 Mo2 74.0(3) . . ?
C9 C8 H8 125.8 . . ?
C9 C8 C12 108.3(6) . . ?
C12 C8 Mo2 70.8(3) . . ?
C12 C8 H8 125.8 . . ?
Mo2 C9 H9 122.6 . . ?
C8 C9 Mo2 71.1(3) . . ?
C8 C9 H9 125.9 . . ?
C8 C9 C10 108.3(5) . . ?
C10 C9 Mo2 72.1(3) . . ?
C10 C9 H9 125.9 . . ?
Mo2 C10 H10 122.2 . . ?
C9 C10 Mo2 72.8(3) . . ?
C9 C10 H10 126.3 . . ?
C11 C10 Mo2 70.4(3) . . ?
C11 C10 C9 107.3(6) . . ?
C11 C10 H10 126.3 . . ?
Mo2 C11 H11 120.2 . . ?
C10 C11 Mo2 74.3(3) . . ?
C10 C11 H11 125.7 . . ?
C10 C11 C12 108.7(5) . . ?
C12 C11 Mo2 71.6(3) . . ?
C12 C11 H11 125.7 . . ?
Mo2 C12 H12 119.6 . . ?
C8 C12 Mo2 73.5(3) . . ?
C8 C12 H12 126.3 . . ?
C11 C12 Mo2 72.6(3) . . ?
C11 C12 C8 107.4(5) . . ?
C11 C12 H12 126.3 . . ?
O3 C13 Mo2 176.1(4) . . ?
O4 C14 Mo2 177.0(5) . . ?
Mo3 C15 H15 120.5 . . ?
C16 C15 Mo3 73.7(3) . . ?
C16 C15 H15 126.0 . . ?
C16 C15 C19 108.0(5) . . ?
C19 C15 Mo3 71.6(3) . . ?
C19 C15 H15 126.0 . . ?
Mo3 C16 H16 121.7 . . ?
C15 C16 Mo3 71.0(3) . . ?
C15 C16 H16 126.3 . . ?
C15 C16 C17 107.4(5) . . ?
C17 C16 Mo3 72.7(3) . . ?
C17 C16 H16 126.3 . . ?
Mo3 C17 H17 122.0 . . ?
C16 C17 Mo3 72.0(3) . . ?
C16 C17 H17 125.5 . . ?
C18 C17 Mo3 72.1(3) . . ?
C18 C17 C16 108.9(5) . . ?
C18 C17 H17 125.5 . . ?
Mo3 C18 H18 121.7 . . ?
C17 C18 Mo3 73.1(3) . . ?
C17 C18 H18 126.2 . . ?
C17 C18 C19 107.5(5) . . ?
C19 C18 Mo3 70.7(3) . . ?
C19 C18 H18 126.2 . . ?
Mo3 C19 H19 119.8 . . ?
C15 C19 Mo3 72.4(3) . . ?
C15 C19 H19 125.9 . . ?
C18 C19 Mo3 73.7(3) . . ?
C18 C19 C15 108.2(5) . . ?
C18 C19 H19 125.9 . . ?
O5 C20 Mo3 172.7(4) . . ?
O6 C21 Mo3 173.5(4) . . ?
Mo4 C22 H22 122.4 . . ?
C23 C22 Mo4 71.5(3) . . ?
C23 C22 H22 125.9 . . ?
C23 C22 C26 108.1(5) . . ?
C26 C22 Mo4 71.9(3) . . ?
C26 C22 H22 125.9 . . ?
Mo4 C23 H23 121.7 . . ?
C22 C23 Mo4 73.7(3) . . ?
C22 C23 H23 125.7 . . ?
C22 C23 C24 108.6(5) . . ?
C24 C23 Mo4 70.7(3) . . ?
C24 C23 H23 125.7 . . ?
Mo4 C24 H24 119.5 . . ?
C23 C24 Mo4 73.9(3) . . ?
C23 C24 H24 126.3 . . ?
C23 C24 C25 107.5(5) . . ?
C25 C24 Mo4 72.2(3) . . ?
C25 C24 H24 126.3 . . ?
Mo4 C25 H25 120.0 . . ?
C24 C25 Mo4 71.8(3) . . ?
C24 C25 H25 125.9 . . ?
C26 C25 Mo4 74.1(3) . . ?
C26 C25 C24 108.2(4) . . ?
C26 C25 H25 125.9 . . ?
Mo4 C26 H26 121.9 . . ?
C22 C26 Mo4 73.2(3) . . ?
C22 C26 C25 107.6(4) . . ?
C22 C26 H26 126.2 . . ?
C25 C26 Mo4 70.4(3) . . ?
C25 C26 H26 126.2 . . ?
O7 C27 Mo4 175.5(4) . . ?
O8 C28 Mo4 175.4(4) . . ?
O10 C33 C34 109.7(4) . . ?
O10 C33 C35 110.9(4) . . ?
O10 C33 C36 110.0(3) . . ?
C35 C33 C34 109.8(4) . . ?
C35 C33 C36 106.5(4) . . ?
C36 C33 C34 109.9(4) . . ?
Cl5 C34 Cl6 108.2(2) . . ?
Cl5 C34 Cl4 106.9(3) . . ?
Cl6 C34 Cl4 107.7(2) . . ?
C33 C34 Cl5 108.9(3) . . ?
C33 C34 Cl6 114.2(3) . . ?
C33 C34 Cl4 110.6(3) . . ?
F7 C35 F9 106.9(4) . . ?
F7 C35 C33 112.4(4) . . ?
F8 C35 F7 107.8(5) . . ?
F8 C35 F9 107.1(5) . . ?
F8 C35 C33 109.3(4) . . ?
F9 C35 C33 113.2(4) . . ?
F10 C36 C33 113.7(4) . . ?
F11 C36 F10 107.6(4) . . ?
F11 C36 F12 106.6(4) . . ?
F11 C36 C33 111.2(4) . . ?
F12 C36 F10 107.2(4) . . ?
F12 C36 C33 110.2(4) . . ?
O11 C37 C38 109.3(3) . . ?
O11 C37 C39 111.7(4) . . ?
O11 C37 C40 107.5(4) . . ?
C39 C37 C38 110.1(4) . . ?
C40 C37 C38 110.8(4) . . ?
C40 C37 C39 107.4(4) . . ?
Cl9 C38 Cl7 108.7(3) . . ?
Cl9 C38 Cl8 107.2(3) . . ?
Cl8 C38 Cl7 107.7(3) . . ?
C37 C38 Cl7 112.1(3) . . ?
C37 C38 Cl9 109.4(3) . . ?
C37 C38 Cl8 111.6(3) . . ?
F15 C39 C37 112.7(4) . . ?
F13 C39 F15 107.5(4) . . ?
F13 C39 C37 112.0(4) . . ?
F14 C39 F15 107.7(4) . . ?
F14 C39 F13 106.7(4) . . ?
F14 C39 C37 109.8(4) . . ?
F17 C40 F18 108.0(4) . . ?
F17 C40 F16 106.3(4) . . ?
F17 C40 C37 111.5(4) . . ?
F18 C40 C37 113.8(4) . . ?
F16 C40 F18 107.2(4) . . ?
F16 C40 C37 109.8(4) . . ?
O13 C45 C47 109.1(4) . . ?
O13 C45 C48 109.7(4) . . ?
O13 C45 C46 109.6(4) . . ?
C48 C45 C47 111.0(4) . . ?
C46 C45 C47 110.9(4) . . ?
C46 C45 C48 106.4(4) . . ?
Cl13 C47 Cl14 108.5(3) . . ?
Cl15 C47 Cl13 108.0(3) . . ?
Cl15 C47 Cl14 107.2(3) . . ?
C45 C47 Cl13 113.5(4) . . ?
C45 C47 Cl14 109.2(3) . . ?
C45 C47 Cl15 110.3(3) . . ?
F28 C48 C45 110.2(4) . . ?
F29 C48 F28 108.1(4) . . ?
F29 C48 C45 112.9(4) . . ?
F30 C48 F28 106.7(4) . . ?
F30 C48 F29 108.3(4) . . ?
F30 C48 C45 110.3(4) . . ?
F25 C46 F26 106.6(5) . . ?
F25 C46 F27 107.9(5) . . ?
F25 C46 C45 110.5(5) . . ?
F26 C46 C45 110.3(5) . . ?
F27 C46 F26 108.2(5) . . ?
F27 C46 C45 113.1(5) . . ?
O14 C49 C50 105.6(5) . . ?
O14 C49 C51 108.2(5) . . ?
O14 C49 C52 115.7(5) . . ?
C51 C49 C50 110.3(4) . . ?
C52 C49 C50 110.5(4) . . ?
C52 C49 C51 106.4(4) . . ?
O14A C49 C50 114.7(7) . . ?
O14A C49 C51 115.0(7) . . ?
O14A C49 C52 99.0(7) . . ?
Cl17 C50 Cl16 106.6(3) . . ?
Cl17 C50 Cl18 107.8(3) . . ?
Cl18 C50 Cl16 108.4(3) . . ?
C49 C50 Cl16 110.0(3) . . ?
C49 C50 Cl17 109.2(3) . . ?
C49 C50 Cl18 114.6(3) . . ?
F33 C51 C49 113.0(4) . . ?
F31 C51 F33 106.9(4) . . ?
F31 C51 C49 111.9(4) . . ?
F32 C51 F33 108.1(5) . . ?
F32 C51 F31 107.0(5) . . ?
F32 C51 C49 109.7(4) . . ?
F34 C52 F35 106.8(6) . . ?
F34 C52 C49 114.7(5) . . ?
F35 C52 C49 110.2(6) . . ?
F36 C52 F34 107.6(6) . . ?
F36 C52 F35 105.8(6) . . ?
F36 C52 C49 111.1(5) . . ?
C55 C53 C54 109.2(5) . . ?
C56 C53 C54 111.1(4) . . ?
C56 C53 C55 107.9(5) . . ?
O15A C53 C54 116.9(7) . . ?
O15A C53 C55 113.7(7) . . ?
O15A C53 C56 97.2(6) . . ?
O15 C53 C54 102.4(6) . . ?
O15 C53 C55 108.1(7) . . ?
O15 C53 C56 117.9(6) . . ?
Cl19 C54 Cl21 103.7(3) . . ?
Cl20 C54 Cl19 107.9(3) . . ?
Cl20 C54 Cl21 107.4(3) . . ?
C53 C54 Cl19 113.5(3) . . ?
C53 C54 Cl20 110.7(4) . . ?
C53 C54 Cl21 113.3(4) . . ?
C53 C54 Cl1B 98.5(4) . . ?
Cl1B C54 Cl19 116.8(4) . . ?
Cl1B C54 Cl20 109.3(5) . . ?
F38 C55 F39 107.9(5) . . ?
F38 C55 F37 108.0(5) . . ?
F38 C55 C53 113.5(5) . . ?
F39 C55 F37 106.7(5) . . ?
F39 C55 C53 109.0(5) . . ?
F37 C55 C53 111.5(5) . . ?
F42 C56 C53 113.1(5) . . ?
F40 C56 F42 107.0(5) . . ?
F40 C56 C53 109.3(5) . . ?
F41 C56 F42 107.8(5) . . ?
F41 C56 F40 108.2(5) . . ?
F41 C56 C53 111.2(5) . . ?
O16 C57 C58 108.7(4) . . ?
O16 C57 C59 109.0(4) . . ?
O16 C57 C60 110.8(4) . . ?
C59 C57 C58 110.6(4) . . ?
C60 C57 C58 111.0(4) . . ?
C60 C57 C59 106.6(4) . . ?
Cl23 C58 Cl22 108.3(3) . . ?
Cl24 C58 Cl22 108.2(3) . . ?
Cl24 C58 Cl23 107.2(3) . . ?
C57 C58 Cl22 112.6(3) . . ?
C57 C58 Cl23 109.8(3) . . ?
C57 C58 Cl24 110.5(3) . . ?
F44 C59 C57 113.7(4) . . ?
F45 C59 F44 107.1(4) . . ?
F45 C59 F43 107.4(4) . . ?
F45 C59 C57 111.2(4) . . ?
F43 C59 F44 106.7(4) . . ?
F43 C59 C57 110.4(4) . . ?
F48 C60 C57 112.6(4) . . ?
F46 C60 F48 107.5(4) . . ?
F46 C60 F47 107.0(4) . . ?
F46 C60 C57 110.7(4) . . ?
F47 C60 F48 106.1(4) . . ?
F47 C60 C57 112.6(4) . . ?
C43 C41A C42A 110.7(4) . . ?
C43 C41A C44A 106.1(5) . . ?
C44A C41A C42A 110.3(4) . . ?
O12A C41A C42A 104.4(5) . . ?
O12A C41A C43 102.3(5) . . ?
O12A C41A C44A 122.7(6) . . ?
Cl10 C42A Cl12 107.8(3) . . ?
Cl11 C42A Cl10 109.5(3) . . ?
Cl11 C42A Cl12 108.4(3) . . ?
C41A C42A Cl10 108.5(4) . . ?
C41A C42A Cl11 109.4(4) . . ?
C41A C42A Cl12 113.2(4) . . ?
F20A C43 C41A 111.7(4) . . ?
F21A C43 F20A 105.9(4) . . ?
F21A C43 C41A 110.4(4) . . ?
F19A C43 F20A 106.6(5) . . ?
F19A C43 F21A 107.1(5) . . ?
F19A C43 C41A 114.6(5) . . ?
F19B C43 C41B 110.9(16) . . ?
F19B C43 F21B 98.3(14) . . ?
F21B C43 C41B 108.7(14) . . ?
F20B C43 C41B 121.3(15) . . ?
F20B C43 F19B 113.1(14) . . ?
F20B C43 F21B 101.3(13) . . ?
F22A C44A F23A 105.7(6) . . ?
F22A C44A C41A 110.5(5) . . ?
F23A C44A C41A 110.8(6) . . ?
F24A C44A F22A 106.3(5) . . ?
F24A C44A F23A 108.7(6) . . ?
F24A C44A C41A 114.3(5) . . ?
O9 C29 C30A 109.1(4) . . ?
O9 C29 C32A 110.3(4) . . ?
O9 C29 C31A 109.6(4) . . ?
O9 C29 C32B 113.9(13) . . ?
O9 C29 C31B 114.8(8) . . ?
O9 C29 C30B 97.7(8) . . ?
C30A C29 C32A 111.9(4) . . ?
C30A C29 C31A 106.0(4) . . ?
C32A C29 C31A 109.9(4) . . ?
C32B C29 C31B 117.8(15) . . ?
C32B C29 C30B 109.5(12) . . ?
C31B C29 C30B 99.7(13) . . ?
F1A C30A F3A 107.1(5) . . ?
F1A C30A C29 113.9(5) . . ?
F2A C30A F1A 106.6(6) . . ?
F2A C30A F3A 107.6(5) . . ?
F2A C30A C29 111.9(5) . . ?
F3A C30A C29 109.4(5) . . ?
C53 O15A Al2 153.4(9) . . ?
C53 O15 Al2 153.7(9) . . ?
Cl3 C42B Cl10 107.9(15) . . ?
Cl3 C42B Cl1A 106.3(19) . . ?
Cl1A C42B Cl10 115.9(18) . . ?
C41B C42B Cl10 104(2) . . ?
C41B C42B Cl3 116(2) . . ?
C41B C42B Cl1A 107(2) . . ?
C43 C41B C42B 117(2) . . ?
C43 C41B C44B 107(2) . . ?
C43 C41B O12B 111.7(19) . . ?
C42B C41B C44B 107(2) . . ?
O12B C41B C42B 91(2) . . ?
O12B C41B C44B 124(2) . . ?
Mo3 Sb2 Mo4 72.36(3) . . ?
Mo3 Sb2 As2 55.38(6) . . ?
Mo3 Sb2 As1 121.29(7) . . ?
Mo4 Sb2 As2 55.55(5) . . ?
Mo4 Sb2 As1 141.77(6) . . ?
As2 Sb2 As1 100.37(7) . . ?
Mo1 Sb1 As2 128.26(6) . . ?
Mo2 Sb1 Mo1 69.70(2) . . ?
Mo2 Sb1 As2 140.18(6) . . ?
As1 Sb1 Mo1 55.89(6) . . ?
As1 Sb1 Mo2 57.95(5) . . ?
As1 Sb1 As2 99.89(7) . . ?
Mo3 As2 Mo4 78.25(7) . . ?
Mo3 As2 Sb2 61.43(6) . . ?
Mo3 As2 Sb1 122.52(8) . . ?
Mo4 As2 Sb2 62.00(6) . . ?
Mo4 As2 Sb1 110.23(8) . . ?
Sb2 As2 Sb1 73.09(5) . . ?
Mo1 As1 Mo2 75.25(6) . . ?
Mo1 As1 Sb2 133.04(8) . . ?
Mo1 As1 Sb1 64.60(6) . . ?
Mo2 As1 Sb2 109.70(9) . . ?
Mo2 As1 Sb1 62.50(6) . . ?
Sb1 As1 Sb2 76.51(5) . . ?
Cl1 C32A Cl3A 107.2(3) . . ?
Cl2 C32A Cl1 109.5(3) . . ?
Cl2 C32A Cl3A 106.0(3) . . ?
C29 C32A Cl1 113.4(4) . . ?
C29 C32A Cl3A 110.0(4) . . ?
C29 C32A Cl2 110.4(4) . . ?
F4A C31A C29 112.6(5) . . ?
F5A C31A F4A 107.7(5) . . ?
F5A C31A C29 109.4(4) . . ?
F5A C31A F6A 106.2(5) . . ?
F6A C31A F4A 108.4(5) . . ?
F6A C31A C29 112.3(4) . . ?
Mo3 As2B Mo4 76.8(3) . . ?
Mo3 As2B Sb2B 59.7(3) . . ?
Mo3 As2B Sb1B 113.6(5) . . ?
Mo4 As2B Sb2B 62.2(3) . . ?
Mo4 As2B Sb1B 130.3(4) . . ?
Sb2B As2B Sb1B 81.1(3) . . ?
Mo3 Sb2B Mo4 73.26(19) . . ?
Mo3 Sb2B As2B 56.8(3) . . ?
Mo3 Sb2B As1B 136.2(3) . . ?
Mo4 Sb2B As1B 117.6(3) . . ?
As2B Sb2B Mo4 57.4(3) . . ?
As2B Sb2B As1B 91.8(3) . . ?
Mo1 Sb1B Mo2 71.0(2) . . ?
Mo1 Sb1B As2B 146.3(4) . . ?
Mo1 Sb1B As1B 58.7(3) . . ?
Mo2 Sb1B As2B 117.6(4) . . ?
As1B Sb1B Mo2 58.5(3) . . ?
As1B Sb1B As2B 96.4(3) . . ?
Mo1 As1B Mo2 73.5(3) . . ?
Mo1 As1B Sb2B 118.7(4) . . ?
Mo1 As1B Sb1B 60.6(3) . . ?
Mo2 As1B Sb2B 127.7(3) . . ?
Mo2 As1B Sb1B 62.6(3) . . ?
Sb1B As1B Sb2B 79.6(3) . . ?
F23B C44B C41B 111(3) . . ?
F23B C44B F24B 109.2(19) . . ?
F24B C44B C41B 107(2) . . ?
F22B C44B C41B 112(2) . . ?
F22B C44B F23B 109.9(19) . . ?
F22B C44B F24B 108.0(17) . . ?
Cl1 C32B Cl3B 102.0(14) . . ?
Cl2 C32B Cl1 115.8(11) . . ?
Cl2 C32B Cl3B 96.3(13) . . ?
C29 C32B Cl1 117.2(17) . . ?
C29 C32B Cl2 115.5(18) . . ?
C29 C32B Cl3B 105.9(12) . . ?
F3A C31B C29 108.1(15) . . ?
F4B C31B F3A 107.3(19) . . ?
F4B C31B C29 109.3(19) . . ?
F4B C31B F5B 110(2) . . ?
F5B C31B F3A 110.2(19) . . ?
F5B C31B C29 112.0(16) . . ?
F2B C30B C29 114.5(18) . . ?
F2B C30B F3B 99(2) . . ?
F2B C30B F1B 104(2) . . ?
F3B C30B C29 112(2) . . ?
F3B C30B F1B 109(2) . . ?
F1B C30B C29 115.9(17) . . ?
C41A O12A Al1 148.7(7) . . ?
C41B O12B Al1 151.5(12) . . ?
C49 O14A Al2 161.0(10) . . ?
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 Mo2 3.1460(5) . ?
Mo1 C1 2.398(6) . ?
Mo1 C2 2.328(5) . ?
Mo1 C3 2.288(5) . ?
Mo1 C4 2.305(5) . ?
Mo1 C5 2.370(6) . ?
Mo1 C6 2.008(5) . ?
Mo1 C7 1.998(6) . ?
Mo1 Sb1 2.7784(10) . ?
Mo1 As1 2.547(3) . ?
Mo1 Sb1B 2.658(8) . ?
Mo1 As1B 2.606(10) . ?
Mo2 C8 2.321(5) . ?
Mo2 C9 2.359(5) . ?
Mo2 C10 2.350(5) . ?
Mo2 C11 2.299(5) . ?
Mo2 C12 2.287(5) . ?
Mo2 C13 2.016(5) . ?
Mo2 C14 2.000(6) . ?
Mo2 Sb1 2.7270(11) . ?
Mo2 As1 2.606(2) . ?
Mo2 Sb1B 2.759(8) . ?
Mo2 As1B 2.650(12) . ?
Mo3 Mo4 3.2192(4) . ?
Mo3 C15 2.298(5) . ?
Mo3 C16 2.332(4) . ?
Mo3 C17 2.340(5) . ?
Mo3 C18 2.327(5) . ?
Mo3 C19 2.288(5) . ?
Mo3 C20 2.013(5) . ?
Mo3 C21 2.028(5) . ?
Mo3 Sb2 2.7103(13) . ?
Mo3 As2 2.540(3) . ?
Mo3 As2B 2.542(13) . ?
Mo3 Sb2B 2.624(8) . ?
Mo4 C22 2.358(5) . ?
Mo4 C23 2.330(5) . ?
Mo4 C24 2.288(4) . ?
Mo4 C25 2.293(4) . ?
Mo4 C26 2.341(4) . ?
Mo4 C27 2.000(5) . ?
Mo4 C28 2.005(5) . ?
Mo4 Sb2 2.7429(13) . ?
Mo4 As2 2.562(2) . ?
Mo4 As2B 2.637(13) . ?
Mo4 Sb2B 2.768(7) . ?
Cl1 C32A 1.773(5) . ?
Cl1 C32B 1.72(3) . ?
Cl5 C34 1.765(5) . ?
Cl6 C34 1.765(5) . ?
Cl4 C34 1.779(5) . ?
Cl7 C38 1.782(5) . ?
Cl9 C38 1.765(5) . ?
Cl8 C38 1.774(5) . ?
Cl10 C42A 1.781(5) . ?
Cl10 C42B 1.93(3) . ?
Cl13 C47 1.766(5) . ?
Cl14 C47 1.772(5) . ?
Cl15 C47 1.762(5) . ?
Cl16 C50 1.779(5) . ?
Cl17 C50 1.765(5) . ?
Cl18 C50 1.769(5) . ?
Cl19 C54 1.781(6) . ?
Cl20 C54 1.766(6) . ?
Cl21 C54 1.796(7) . ?
Cl22 C58 1.784(5) . ?
Cl23 C58 1.768(5) . ?
Cl24 C58 1.760(5) . ?
Al1 O9 1.731(3) . ?
Al1 O10 1.740(3) . ?
Al1 O11 1.736(3) . ?
Al1 O12A 1.751(7) . ?
Al1 O12B 1.732(6) . ?
Al2 O13 1.722(3) . ?
Al2 O14 1.698(7) . ?
Al2 O16 1.735(3) . ?
Al2 O15A 1.754(12) . ?
Al2 O15 1.726(12) . ?
Al2 O14A 1.782(10) . ?
F7 C35 1.333(7) . ?
F8 C35 1.332(6) . ?
F9 C35 1.334(7) . ?
F10 C36 1.341(6) . ?
F11 C36 1.317(6) . ?
F12 C36 1.331(6) . ?
F15 C39 1.339(5) . ?
F13 C39 1.337(6) . ?
F14 C39 1.316(6) . ?
F17 C40 1.321(6) . ?
F18 C40 1.337(6) . ?
F16 C40 1.334(6) . ?
F28 C48 1.327(6) . ?
F29 C48 1.324(6) . ?
F30 C48 1.318(6) . ?
F25 C46 1.319(7) . ?
F26 C46 1.349(8) . ?
F27 C46 1.324(9) . ?
F33 C51 1.331(6) . ?
F31 C51 1.327(7) . ?
F32 C51 1.325(6) . ?
F34 C52 1.336(9) . ?
F35 C52 1.356(8) . ?
F36 C52 1.334(7) . ?
F38 C55 1.315(8) . ?
F39 C55 1.326(7) . ?
F37 C55 1.344(6) . ?
F42 C56 1.341(7) . ?
F40 C56 1.334(7) . ?
F41 C56 1.315(7) . ?
F44 C59 1.338(6) . ?
F45 C59 1.327(6) . ?
F43 C59 1.330(6) . ?
F48 C60 1.349(6) . ?
F46 C60 1.322(6) . ?
F47 C60 1.346(6) . ?
O1 C6 1.136(6) . ?
O2 C7 1.122(8) . ?
O3 C13 1.127(6) . ?
O4 C14 1.132(7) . ?
O5 C20 1.136(6) . ?
O6 C21 1.126(6) . ?
O7 C27 1.141(6) . ?
O8 C28 1.133(7) . ?
O9 C29 1.336(6) . ?
O10 C33 1.333(5) . ?
O11 C37 1.350(5) . ?
O13 C45 1.342(6) . ?
O14 C49 1.385(9) . ?
O16 C57 1.343(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.412(9) . ?
C1 C5 1.449(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.466(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.416(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.448(9) . ?
C5 H5 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.404(8) . ?
C8 C12 1.415(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.418(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.410(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.412(11) . ?
C12 H12 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.403(8) . ?
C15 C19 1.417(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.416(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.397(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.411(8) . ?
C19 H19 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.405(8) . ?
C22 C26 1.409(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.405(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.414(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.414(7) . ?
C26 H26 0.9500 . ?
C33 C34 1.605(6) . ?
C33 C35 1.572(6) . ?
C33 C36 1.578(6) . ?
C37 C38 1.596(6) . ?
C37 C39 1.574(6) . ?
C37 C40 1.573(6) . ?
C45 C47 1.595(7) . ?
C45 C48 1.585(7) . ?
C45 C46 1.569(7) . ?
C49 C50 1.589(7) . ?
C49 C51 1.568(6) . ?
C49 C52 1.553(8) . ?
C49 O14A 1.285(11) . ?
C53 C54 1.588(8) . ?
C53 C55 1.589(8) . ?
C53 C56 1.580(9) . ?
C53 O15A 1.348(13) . ?
C53 O15 1.375(13) . ?
C54 Cl1B 1.742(11) . ?
C57 C58 1.598(6) . ?
C57 C59 1.571(6) . ?
C57 C60 1.565(7) . ?
Cl11 C42A 1.753(6) . ?
Cl12 C42A 1.781(5) . ?
F20A C43 1.346(7) . ?
F21A C43 1.331(6) . ?
F19A C43 1.328(7) . ?
F22A C44A 1.341(7) . ?
F23A C44A 1.347(9) . ?
F24A C44A 1.317(7) . ?
C41A C42A 1.595(7) . ?
C41A C43 1.575(7) . ?
C41A C44A 1.581(8) . ?
C41A O12A 1.379(10) . ?
C43 C41B 1.46(3) . ?
C43 F19B 1.37(3) . ?
C43 F21B 1.45(2) . ?
C43 F20B 1.258(18) . ?
Cl3A C32A 1.779(6) . ?
Cl2 C32A 1.738(6) . ?
Cl2 C32B 1.66(3) . ?
F1A C30A 1.348(7) . ?
F2A C30A 1.335(7) . ?
F3A C30A 1.367(7) . ?
F3A C31B 1.38(3) . ?
F4A C31A 1.341(6) . ?
F5A C31A 1.326(7) . ?
C29 C30A 1.553(7) . ?
C29 C32A 1.577(7) . ?
C29 C31A 1.592(7) . ?
C29 C32B 1.559(15) . ?
C29 C31B 1.561(15) . ?
C29 C30B 1.599(15) . ?
Cl3 C42B 1.72(3) . ?
C42B Cl1A 1.75(4) . ?
C42B C41B 1.592(16) . ?
C41B C44B 1.594(16) . ?
C41B O12B 1.48(3) . ?
Sb2 As2 2.754(2) . ?
Sb2 As1 2.911(2) . ?
Sb1 As2 3.0270(19) . ?
Sb1 As1 2.650(2) . ?
C31A F6A 1.333(7) . ?
As2B Sb2B 2.722(12) . ?
As2B Sb1B 2.885(12) . ?
Sb2B As1B 3.027(9) . ?
Sb1B As1B 2.659(11) . ?
C44B F23B 1.35(2) . ?
C44B F24B 1.35(2) . ?
C44B F22B 1.35(2) . ?
C32B Cl3B 1.765(16) . ?
C31B F4B 1.326(15) . ?
C31B F5B 1.330(15) . ?
C30B F2B 1.341(15) . ?
C30B F3B 1.350(15) . ?
C30B F1B 1.355(15) . ?
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
Mo1 C1 C2 C3 -61.7(4) . . . . ?
Mo1 C1 C5 C4 60.5(4) . . . . ?
Mo1 C2 C3 C4 -65.4(4) . . . . ?
Mo1 C3 C4 C5 -66.0(4) . . . . ?
Mo1 C4 C5 C1 -62.9(4) . . . . ?
Mo2 C8 C9 C10 63.0(3) . . . . ?
Mo2 C8 C12 C11 -65.1(4) . . . . ?
Mo2 C9 C10 C11 62.3(3) . . . . ?
Mo2 C10 C11 C12 63.8(4) . . . . ?
Mo2 C11 C12 C8 65.7(4) . . . . ?
Mo3 C15 C16 C17 64.0(3) . . . . ?
Mo3 C15 C19 C18 -65.5(3) . . . . ?
Mo3 C16 C17 C18 63.0(3) . . . . ?
Mo3 C17 C18 C19 62.8(3) . . . . ?
Mo3 C18 C19 C15 64.7(3) . . . . ?
Mo4 C22 C23 C24 -62.4(4) . . . . ?
Mo4 C22 C26 C25 62.4(3) . . . . ?
Mo4 C23 C24 C25 -64.9(3) . . . . ?
Mo4 C24 C25 C26 -65.7(3) . . . . ?
Mo4 C25 C26 C22 -64.2(3) . . . . ?
Cl10 C42B C41B C43 158.3(18) . . . . ?
Cl10 C42B C41B C44B 39(3) . . . . ?
Cl10 C42B C41B O12B -86.9(18) . . . . ?
Al1 O9 C29 C30A 82.1(9) . . . . ?
Al1 O9 C29 C32A -154.6(7) . . . . ?
Al1 O9 C29 C31A -33.5(9) . . . . ?
Al1 O9 C29 C32B -121.1(11) . . . . ?
Al1 O9 C29 C31B 19.0(15) . . . . ?
Al1 O9 C29 C30B 123.5(11) . . . . ?
Al1 O10 C33 C34 -165.7(5) . . . . ?
Al1 O10 C33 C35 72.8(7) . . . . ?
Al1 O10 C33 C36 -44.7(8) . . . . ?
Al1 O11 C37 C38 129.0(5) . . . . ?
Al1 O11 C37 C39 7.0(7) . . . . ?
Al1 O11 C37 C40 -110.7(5) . . . . ?
Al2 O13 C45 C47 -179.0(7) . . . . ?
Al2 O13 C45 C48 59.2(10) . . . . ?
Al2 O13 C45 C46 -57.3(10) . . . . ?
Al2 O14 C49 C50 -167.0(17) . . . . ?
Al2 O14 C49 C51 74.9(19) . . . . ?
Al2 O14 C49 C52 -44(2) . . . . ?
Al2 O16 C57 C58 -147.0(7) . . . . ?
Al2 O16 C57 C59 92.3(8) . . . . ?
Al2 O16 C57 C60 -24.7(10) . . . . ?
O9 Al1 O10 C33 -111.1(6) . . . . ?
O9 Al1 O11 C37 -63.0(6) . . . . ?
O9 Al1 O12A C41A -159.2(11) . . . . ?
O9 Al1 O12B C41B -40(3) . . . . ?
O9 C29 C30A F1A 163.7(5) . . . . ?
O9 C29 C30A F2A 42.7(7) . . . . ?
O9 C29 C30A F3A -76.5(5) . . . . ?
O9 C29 C32A Cl1 165.2(3) . . . . ?
O9 C29 C32A Cl3A -74.8(4) . . . . ?
O9 C29 C32A Cl2 41.8(5) . . . . ?
O9 C29 C31A F4A 157.1(4) . . . . ?
O9 C29 C31A F5A 37.4(6) . . . . ?
O9 C29 C31A F6A -80.2(5) . . . . ?
O9 C29 C32B Cl1 -159.6(11) . . . . ?
O9 C29 C32B Cl2 -17.8(16) . . . . ?
O9 C29 C32B Cl3B 87.4(17) . . . . ?
O9 C29 C31B F3A 67.2(15) . . . . ?
O9 C29 C31B F4B -49(2) . . . . ?
O9 C29 C31B F5B -171.2(17) . . . . ?
O9 C29 C30B F2B 74(2) . . . . ?
O9 C29 C30B F3B -37.7(19) . . . . ?
O9 C29 C30B F1B -164.2(18) . . . . ?
O10 Al1 O9 C29 -38.9(8) . . . . ?
O10 Al1 O11 C37 176.3(5) . . . . ?
O10 Al1 O12A C41A -40.0(13) . . . . ?
O10 Al1 O12B C41B 86(3) . . . . ?
O10 C33 C34 Cl5 -43.2(4) . . . . ?
O10 C33 C34 Cl6 -164.2(3) . . . . ?
O10 C33 C34 Cl4 74.0(4) . . . . ?
O10 C33 C35 F7 78.6(5) . . . . ?
O10 C33 C35 F8 -41.0(6) . . . . ?
O10 C33 C35 F9 -160.3(4) . . . . ?
O10 C33 C36 F10 -156.2(4) . . . . ?
O10 C33 C36 F11 82.3(5) . . . . ?
O10 C33 C36 F12 -35.7(5) . . . . ?
O11 Al1 O9 C29 -157.4(8) . . . . ?
O11 Al1 O10 C33 6.3(7) . . . . ?
O11 Al1 O12A C41A 85.0(12) . . . . ?
O11 Al1 O12B C41B -159(3) . . . . ?
O11 C37 C38 Cl7 -166.6(3) . . . . ?
O11 C37 C38 Cl9 -46.0(4) . . . . ?
O11 C37 C38 Cl8 72.5(4) . . . . ?
O11 C37 C39 F15 -155.6(4) . . . . ?
O11 C37 C39 F13 82.9(5) . . . . ?
O11 C37 C39 F14 -35.5(5) . . . . ?
O11 C37 C40 F17 -38.9(5) . . . . ?
O11 C37 C40 F18 -161.4(4) . . . . ?
O11 C37 C40 F16 78.5(5) . . . . ?
O13 Al2 O14 C49 2(2) . . . . ?
O13 Al2 O16 C57 -158.8(8) . . . . ?
O13 Al2 O15A C53 8(2) . . . . ?
O13 Al2 O15 C53 -87.0(19) . . . . ?
O13 Al2 O14A C49 96(3) . . . . ?
O13 C45 C47 Cl13 163.3(3) . . . . ?
O13 C45 C47 Cl14 42.1(5) . . . . ?
O13 C45 C47 Cl15 -75.4(4) . . . . ?
O13 C45 C48 F28 -80.9(5) . . . . ?
O13 C45 C48 F29 158.1(4) . . . . ?
O13 C45 C48 F30 36.7(5) . . . . ?
O13 C45 C46 F25 38.7(7) . . . . ?
O13 C45 C46 F26 -78.9(6) . . . . ?
O13 C45 C46 F27 159.8(4) . . . . ?
O14 Al2 O13 C45 109.7(9) . . . . ?
O14 Al2 O16 C57 75.1(9) . . . . ?
O14 Al2 O15A C53 130(2) . . . . ?
O14 C49 C50 Cl16 78.5(5) . . . . ?
O14 C49 C50 Cl17 -38.1(5) . . . . ?
O14 C49 C50 Cl18 -159.1(5) . . . . ?
O14 C49 C51 F33 -164.6(5) . . . . ?
O14 C49 C51 F31 74.7(6) . . . . ?
O14 C49 C51 F32 -43.9(7) . . . . ?
O14 C49 C52 F34 -159.5(6) . . . . ?
O14 C49 C52 F35 79.9(7) . . . . ?
O14 C49 C52 F36 -37.1(8) . . . . ?
O16 Al2 O13 C45 -11.8(9) . . . . ?
O16 Al2 O14 C49 124.6(18) . . . . ?
O16 Al2 O15A C53 -118(2) . . . . ?
O16 Al2 O15 C53 157.5(19) . . . . ?
O16 Al2 O14A C49 -148(3) . . . . ?
O16 C57 C58 Cl22 167.2(3) . . . . ?
O16 C57 C58 Cl23 46.4(5) . . . . ?
O16 C57 C58 Cl24 -71.6(4) . . . . ?
O16 C57 C59 F44 159.1(4) . . . . ?
O16 C57 C59 F45 38.1(5) . . . . ?
O16 C57 C59 F43 -81.0(5) . . . . ?
O16 C57 C60 F48 157.4(4) . . . . ?
O16 C57 C60 F46 37.1(5) . . . . ?
O16 C57 C60 F47 -82.7(5) . . . . ?
C1 C2 C3 Mo1 65.1(4) . . . . ?
C1 C2 C3 C4 -0.3(6) . . . . ?
C2 C1 C5 Mo1 -61.8(4) . . . . ?
C2 C1 C5 C4 -1.3(6) . . . . ?
C2 C3 C4 Mo1 65.5(4) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C3 C4 C5 Mo1 64.0(4) . . . . ?
C3 C4 C5 C1 1.1(6) . . . . ?
C5 C1 C2 Mo1 62.7(4) . . . . ?
C5 C1 C2 C3 0.9(6) . . . . ?
C8 C9 C10 Mo2 -62.3(3) . . . . ?
C8 C9 C10 C11 0.0(6) . . . . ?
C9 C8 C12 Mo2 65.0(4) . . . . ?
C9 C8 C12 C11 -0.1(6) . . . . ?
C9 C10 C11 Mo2 -63.9(3) . . . . ?
C9 C10 C11 C12 -0.1(6) . . . . ?
C10 C11 C12 Mo2 -65.6(4) . . . . ?
C10 C11 C12 C8 0.1(6) . . . . ?
C12 C8 C9 Mo2 -62.9(4) . . . . ?
C12 C8 C9 C10 0.1(6) . . . . ?
C15 C16 C17 Mo3 -63.0(3) . . . . ?
C15 C16 C17 C18 0.1(5) . . . . ?
C16 C15 C19 Mo3 65.2(3) . . . . ?
C16 C15 C19 C18 -0.3(5) . . . . ?
C16 C17 C18 Mo3 -63.0(3) . . . . ?
C16 C17 C18 C19 -0.2(5) . . . . ?
C17 C18 C19 Mo3 -64.3(3) . . . . ?
C17 C18 C19 C15 0.3(5) . . . . ?
C19 C15 C16 Mo3 -63.9(3) . . . . ?
C19 C15 C16 C17 0.1(5) . . . . ?
C22 C23 C24 Mo4 64.4(3) . . . . ?
C22 C23 C24 C25 -0.5(6) . . . . ?
C23 C22 C26 Mo4 -62.7(3) . . . . ?
C23 C22 C26 C25 -0.3(5) . . . . ?
C23 C24 C25 Mo4 66.1(3) . . . . ?
C23 C24 C25 C26 0.4(5) . . . . ?
C24 C25 C26 Mo4 64.2(3) . . . . ?
C24 C25 C26 C22 0.0(5) . . . . ?
C26 C22 C23 Mo4 63.0(3) . . . . ?
C26 C22 C23 C24 0.5(5) . . . . ?
C34 C33 C35 F7 -42.8(5) . . . . ?
C34 C33 C35 F8 -162.4(4) . . . . ?
C34 C33 C35 F9 78.4(5) . . . . ?
C34 C33 C36 F10 -35.3(5) . . . . ?
C34 C33 C36 F11 -156.9(4) . . . . ?
C34 C33 C36 F12 85.1(4) . . . . ?
C35 C33 C34 Cl5 78.9(4) . . . . ?
C35 C33 C34 Cl6 -42.1(5) . . . . ?
C35 C33 C34 Cl4 -163.8(3) . . . . ?
C35 C33 C36 F10 83.5(5) . . . . ?
C35 C33 C36 F11 -38.0(5) . . . . ?
C35 C33 C36 F12 -156.0(4) . . . . ?
C36 C33 C34 Cl5 -164.2(3) . . . . ?
C36 C33 C34 Cl6 74.7(4) . . . . ?
C36 C33 C34 Cl4 -47.0(4) . . . . ?
C36 C33 C35 F7 -161.8(4) . . . . ?
C36 C33 C35 F8 78.7(5) . . . . ?
C36 C33 C35 F9 -40.6(5) . . . . ?
C38 C37 C39 F15 82.8(5) . . . . ?
C38 C37 C39 F13 -38.7(5) . . . . ?
C38 C37 C39 F14 -157.1(4) . . . . ?
C38 C37 C40 F17 80.4(5) . . . . ?
C38 C37 C40 F18 -42.0(5) . . . . ?
C38 C37 C40 F16 -162.1(4) . . . . ?
C39 C37 C38 Cl7 -43.6(5) . . . . ?
C39 C37 C38 Cl9 77.0(4) . . . . ?
C39 C37 C38 Cl8 -164.5(3) . . . . ?
C39 C37 C40 F17 -159.3(4) . . . . ?
C39 C37 C40 F18 78.2(5) . . . . ?
C39 C37 C40 F16 -41.8(5) . . . . ?
C40 C37 C38 Cl7 75.1(4) . . . . ?
C40 C37 C38 Cl9 -164.3(3) . . . . ?
C40 C37 C38 Cl8 -45.8(5) . . . . ?
C40 C37 C39 F15 -37.9(5) . . . . ?
C40 C37 C39 F13 -159.4(4) . . . . ?
C40 C37 C39 F14 82.2(4) . . . . ?
C47 C45 C48 F28 158.3(4) . . . . ?
C47 C45 C48 F29 37.3(6) . . . . ?
C47 C45 C48 F30 -84.0(5) . . . . ?
C47 C45 C46 F25 159.2(5) . . . . ?
C47 C45 C46 F26 41.7(7) . . . . ?
C47 C45 C46 F27 -79.6(6) . . . . ?
C48 C45 C47 Cl13 -75.6(5) . . . . ?
C48 C45 C47 Cl14 163.2(3) . . . . ?
C48 C45 C47 Cl15 45.6(5) . . . . ?
C48 C45 C46 F25 -79.9(6) . . . . ?
C48 C45 C46 F26 162.5(5) . . . . ?
C48 C45 C46 F27 41.3(6) . . . . ?
C46 C45 C47 Cl13 42.4(5) . . . . ?
C46 C45 C47 Cl14 -78.7(5) . . . . ?
C46 C45 C47 Cl15 163.7(4) . . . . ?
C46 C45 C48 F28 37.6(6) . . . . ?
C46 C45 C48 F29 -83.4(5) . . . . ?
C46 C45 C48 F30 155.2(4) . . . . ?
C50 C49 C51 F33 80.3(6) . . . . ?
C50 C49 C51 F31 -40.4(6) . . . . ?
C50 C49 C51 F32 -158.9(5) . . . . ?
C50 C49 C52 F34 -39.5(6) . . . . ?
C50 C49 C52 F35 -160.2(5) . . . . ?
C50 C49 C52 F36 82.9(7) . . . . ?
C50 C49 O14A Al2 107(3) . . . . ?
C51 C49 C50 Cl16 -164.8(3) . . . . ?
C51 C49 C50 Cl17 78.6(4) . . . . ?
C51 C49 C50 Cl18 -42.4(5) . . . . ?
C51 C49 C52 F34 80.2(6) . . . . ?
C51 C49 C52 F35 -40.4(7) . . . . ?
C51 C49 C52 F36 -157.4(5) . . . . ?
C51 C49 O14A Al2 -22(3) . . . . ?
C52 C49 C50 Cl16 -47.4(5) . . . . ?
C52 C49 C50 Cl17 -164.0(4) . . . . ?
C52 C49 C50 Cl18 75.0(5) . . . . ?
C52 C49 C51 F33 -39.6(6) . . . . ?
C52 C49 C51 F31 -160.3(5) . . . . ?
C52 C49 C51 F32 81.1(6) . . . . ?
C52 C49 O14A Al2 -135(3) . . . . ?
C54 C53 C55 F38 -37.7(6) . . . . ?
C54 C53 C55 F39 -157.9(5) . . . . ?
C54 C53 C55 F37 84.5(6) . . . . ?
C54 C53 C56 F42 -40.9(6) . . . . ?
C54 C53 C56 F40 -160.0(4) . . . . ?
C54 C53 C56 F41 80.6(5) . . . . ?
C54 C53 O15A Al2 95(2) . . . . ?
C54 C53 O15 Al2 178.4(18) . . . . ?
C55 C53 C54 Cl19 -43.9(5) . . . . ?
C55 C53 C54 Cl20 -165.3(4) . . . . ?
C55 C53 C54 Cl21 74.1(5) . . . . ?
C55 C53 C54 Cl1B 80.3(6) . . . . ?
C55 C53 C56 F42 78.8(6) . . . . ?
C55 C53 C56 F40 -40.3(6) . . . . ?
C55 C53 C56 F41 -159.7(5) . . . . ?
C55 C53 O15A Al2 -34(2) . . . . ?
C55 C53 O15 Al2 63(2) . . . . ?
C56 C53 C54 Cl19 75.0(5) . . . . ?
C56 C53 C54 Cl20 -46.4(5) . . . . ?
C56 C53 C54 Cl21 -167.0(4) . . . . ?
C56 C53 C54 Cl1B -160.8(5) . . . . ?
C56 C53 C55 F38 -158.6(5) . . . . ?
C56 C53 C55 F39 81.1(6) . . . . ?
C56 C53 C55 F37 -36.4(6) . . . . ?
C56 C53 O15A Al2 -147(2) . . . . ?
C56 C53 O15 Al2 -59(2) . . . . ?
C58 C57 C59 F44 39.6(6) . . . . ?
C58 C57 C59 F45 -81.4(5) . . . . ?
C58 C57 C59 F43 159.5(4) . . . . ?
C58 C57 C60 F48 -81.6(5) . . . . ?
C58 C57 C60 F46 158.1(4) . . . . ?
C58 C57 C60 F47 38.3(5) . . . . ?
C59 C57 C58 Cl22 -73.1(5) . . . . ?
C59 C57 C58 Cl23 166.0(3) . . . . ?
C59 C57 C58 Cl24 48.0(4) . . . . ?
C59 C57 C60 F48 39.0(5) . . . . ?
C59 C57 C60 F46 -81.3(4) . . . . ?
C59 C57 C60 F47 158.9(4) . . . . ?
C60 C57 C58 Cl22 45.0(5) . . . . ?
C60 C57 C58 Cl23 -75.8(4) . . . . ?
C60 C57 C58 Cl24 166.2(3) . . . . ?
C60 C57 C59 F44 -81.2(5) . . . . ?
C60 C57 C59 F45 157.8(4) . . . . ?
C60 C57 C59 F43 38.7(5) . . . . ?
C42A C41A C43 F20A -43.9(6) . . . . ?
C42A C41A C43 F21A -161.4(5) . . . . ?
C42A C41A C43 F19A 77.5(6) . . . . ?
C42A C41A C44A F22A -157.5(5) . . . . ?
C42A C41A C44A F23A 85.7(6) . . . . ?
C42A C41A C44A F24A -37.6(7) . . . . ?
C42A C41A O12A Al1 -149.0(10) . . . . ?
C43 C41A C42A Cl10 -164.2(4) . . . . ?
C43 C41A C42A Cl11 76.3(5) . . . . ?
C43 C41A C42A Cl12 -44.6(6) . . . . ?
C43 C41A C44A F22A -37.6(6) . . . . ?
C43 C41A C44A F23A -154.4(6) . . . . ?
C43 C41A C44A F24A 82.3(6) . . . . ?
C43 C41A O12A Al1 95.6(12) . . . . ?
C43 C41B C44B F23B 155.9(18) . . . . ?
C43 C41B C44B F24B 37(2) . . . . ?
C43 C41B C44B F22B -81(2) . . . . ?
C43 C41B O12B Al1 -54(4) . . . . ?
C44A C41A C42A Cl10 -47.2(5) . . . . ?
C44A C41A C42A Cl11 -166.6(4) . . . . ?
C44A C41A C42A Cl12 72.5(5) . . . . ?
C44A C41A C43 F20A -163.5(4) . . . . ?
C44A C41A C43 F21A 79.0(6) . . . . ?
C44A C41A C43 F19A -42.1(6) . . . . ?
C44A C41A O12A Al1 -22.9(15) . . . . ?
C30A C29 C32A Cl1 -73.2(5) . . . . ?
C30A C29 C32A Cl3A 46.8(5) . . . . ?
C30A C29 C32A Cl2 163.4(4) . . . . ?
C30A C29 C31A F4A 39.5(6) . . . . ?
C30A C29 C31A F5A -80.1(6) . . . . ?
C30A C29 C31A F6A 162.2(5) . . . . ?
O15A Al2 O13 C45 -138.5(9) . . . . ?
O15A Al2 O14 C49 -119.0(19) . . . . ?
O15A Al2 O16 C57 -31.2(9) . . . . ?
O15A C53 C54 Cl19 -174.7(6) . . . . ?
O15A C53 C54 Cl20 63.9(7) . . . . ?
O15A C53 C54 Cl21 -56.7(8) . . . . ?
O15A C53 C55 F38 94.8(7) . . . . ?
O15A C53 C55 F39 -25.5(8) . . . . ?
O15A C53 C55 F37 -143.0(7) . . . . ?
O15A C53 C56 F42 -163.4(7) . . . . ?
O15A C53 C56 F40 77.5(8) . . . . ?
O15A C53 C56 F41 -41.9(8) . . . . ?
O15 Al2 O13 C45 -125.1(9) . . . . ?
O15 Al2 O16 C57 -47.7(9) . . . . ?
O15 Al2 O14A C49 -23(3) . . . . ?
O15 C53 C54 Cl19 -158.2(6) . . . . ?
O15 C53 C54 Cl20 80.3(6) . . . . ?
O15 C53 C54 Cl1B -34.0(7) . . . . ?
O15 C53 C55 F38 72.9(7) . . . . ?
O15 C53 C55 F39 -47.3(8) . . . . ?
O15 C53 C55 F37 -164.8(6) . . . . ?
O15 C53 C56 F42 -158.6(8) . . . . ?
O15 C53 C56 F40 82.3(8) . . . . ?
O15 C53 C56 F41 -37.1(9) . . . . ?
Cl3 C42B C41B C43 40(3) . . . . ?
Cl3 C42B C41B C44B -80(3) . . . . ?
Cl3 C42B C41B O12B 155(2) . . . . ?
C42B C41B C44B F23B -78(3) . . . . ?
C42B C41B C44B F24B 163(2) . . . . ?
C42B C41B C44B F22B 45(3) . . . . ?
C42B C41B O12B Al1 -173.2(19) . . . . ?
Cl1A C42B C41B C43 -78(3) . . . . ?
Cl1A C42B C41B C44B 162(2) . . . . ?
Cl1A C42B C41B O12B 36(2) . . . . ?
F19B C43 C41B C42B -70(3) . . . . ?
F19B C43 C41B C44B 49(2) . . . . ?
F19B C43 C41B O12B -172.9(18) . . . . ?
F21B C43 C41B C42B 37(3) . . . . ?
F21B C43 C41B C44B 156.1(16) . . . . ?
F21B C43 C41B O12B -66(2) . . . . ?
F20B C43 C41B C42B 153(2) . . . . ?
F20B C43 C41B C44B -87(2) . . . . ?
F20B C43 C41B O12B 51(2) . . . . ?
C32A C29 C30A F1A 41.4(7) . . . . ?
C32A C29 C30A F2A -79.6(6) . . . . ?
C32A C29 C30A F3A 161.2(4) . . . . ?
C32A C29 C31A F4A -81.6(5) . . . . ?
C32A C29 C31A F5A 158.7(5) . . . . ?
C32A C29 C31A F6A 41.1(6) . . . . ?
C31A C29 C30A F1A -78.4(6) . . . . ?
C31A C29 C30A F2A 160.6(5) . . . . ?
C31A C29 C30A F3A 41.4(5) . . . . ?
C31A C29 C32A Cl1 44.3(5) . . . . ?
C31A C29 C32A Cl3A 164.3(3) . . . . ?
C31A C29 C32A Cl2 -79.1(5) . . . . ?
C44B C41B O12B Al1 76(4) . . . . ?
C32B C29 C31B F3A -154.3(14) . . . . ?
C32B C29 C31B F4B 89(2) . . . . ?
C32B C29 C31B F5B -33(3) . . . . ?
C32B C29 C30B F2B -44(2) . . . . ?
C32B C29 C30B F3B -157(2) . . . . ?
C32B C29 C30B F1B 77(2) . . . . ?
C31B C29 C32B Cl1 61.6(18) . . . . ?
C31B C29 C32B Cl2 -156.6(13) . . . . ?
C31B C29 C32B Cl3B -51(2) . . . . ?
C31B C29 C30B F2B -169(2) . . . . ?
C31B C29 C30B F3B 79(2) . . . . ?
C31B C29 C30B F1B -47(2) . . . . ?
C30B C29 C32B Cl1 -51.4(19) . . . . ?
C30B C29 C32B Cl2 90.5(16) . . . . ?
C30B C29 C32B Cl3B -164.4(14) . . . . ?
C30B C29 C31B F3A -36.0(15) . . . . ?
C30B C29 C31B F4B -152(2) . . . . ?
C30B C29 C31B F5B 86(2) . . . . ?
O12A Al1 O9 C29 79.6(8) . . . . ?
O12A Al1 O10 C33 135.9(7) . . . . ?
O12A Al1 O11 C37 50.1(7) . . . . ?
O12A C41A C42A Cl10 86.4(6) . . . . ?
O12A C41A C42A Cl11 -33.0(6) . . . . ?
O12A C41A C42A Cl12 -154.0(5) . . . . ?
O12A C41A C43 F20A 66.9(6) . . . . ?
O12A C41A C43 F21A -50.7(7) . . . . ?
O12A C41A C43 F19A -171.8(6) . . . . ?
O12A C41A C44A F22A 79.0(7) . . . . ?
O12A C41A C44A F23A -37.8(9) . . . . ?
O12A C41A C44A F24A -161.1(6) . . . . ?
O12B Al1 O9 C29 83.4(8) . . . . ?
O12B Al1 O10 C33 121.3(7) . . . . ?
O12B Al1 O11 C37 61.8(6) . . . . ?
O12B C41B C44B F23B 24(3) . . . . ?
O12B C41B C44B F24B -95(2) . . . . ?
O12B C41B C44B F22B 147(2) . . . . ?
O14A Al2 O13 C45 101.9(9) . . . . ?
O14A Al2 O16 C57 88.6(9) . . . . ?
O14A Al2 O15 C53 32(2) . . . . ?
O14A C49 C50 Cl16 63.5(8) . . . . ?
O14A C49 C50 Cl17 -53.1(8) . . . . ?
O14A C49 C50 Cl18 -174.1(7) . . . . ?
O14A C49 C51 F33 -148.1(7) . . . . ?
O14A C49 C51 F31 91.2(8) . . . . ?
O14A C49 C51 F32 -27.4(9) . . . . ?
O14A C49 C52 F34 -160.3(7) . . . . ?
O14A C49 C52 F35 79.1(8) . . . . ?
O14A C49 C52 F36 -37.9(9) . . . . ?
