#------------------------------------------------------------------------------
#$Date: 2019-11-25 02:31:03 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/06/4350634.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_4350634
loop_
_publ_author_name
'Usher, Alistair J.'
'Lucas, Nigel T.'
'Dalton, Gulliver T.'
'Randles, Michael D.'
'Viau, Lydie'
'Humphrey, Mark G.'
'Petrie, Simon'
'Stranger, Robert'
'Willis, Anthony C.'
'Rae, A. David'
_publ_section_title
;
 Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal
 exchange at group 6-iridium clusters.
;
_journal_issue                   26
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10859
_journal_page_last               10872
_journal_paper_doi               10.1021/ic061736l
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C29 H27 Ir3 Mo2 O11'
_chemical_formula_sum            'C29 H27 Ir3 Mo2 O11'
_chemical_formula_weight         1320.07
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_date             2004-10-19
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
2001-04-13 - Report on C29 H27 Ir3 Mo2 O11  
             by Nigel T. Lucas and Anthony Willis
             for Mark Humphrey
2004-10-19 - acw compiles cif
2004-10-19 - passes checkcif tests with minor warnings
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.520(3)
_cell_length_b                   15.621(2)
_cell_length_c                   9.805(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      22.8
_cell_volume                     3296.1(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      296.2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.01536
_diffrn_orient_matrix_UB_12      0.05944
_diffrn_orient_matrix_UB_13      0.01724
_diffrn_orient_matrix_UB_21      0.04326
_diffrn_orient_matrix_UB_22      -0.01864
_diffrn_orient_matrix_UB_23      -0.02246
_diffrn_orient_matrix_UB_31      -0.00721
_diffrn_orient_matrix_UB_32      0.01473
_diffrn_orient_matrix_UB_33      -0.09798
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00000
_diffrn_reflns_av_sigmaI/netI    0.060
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4269
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        -0.82
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.896
_exptl_absorpt_correction_T_max  .112
_exptl_absorpt_correction_T_min  .053
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
ψ scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.660
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2416.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.326
_refine_ls_goodness_of_fit_ref   1.378
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     214
_refine_ls_number_reflns         2741
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0297
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00010|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0370
_refine_ls_wR_factor_ref         0.0318
_reflns_number_gt                2741
_reflns_number_total             3927
_reflns_threshold_expression     I>2.00σ(I)
_cod_data_source_file            ic061736lsi20060912_051558.cif
_cod_data_source_block           ntl18
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3296.3(12)
_cod_original_sg_symbol_H-M      'P n m a    '
_cod_original_formula_sum        'C29 H27 Ir3 Mo2 O11 '
_cod_database_code               4350634
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
1/2+x,1/2-y,1/2-z
'   -x,1/2+y,   -z'
'1/2-x,   -y,1/2+z'
'   -x,   -y,   -z'
1/2-x,1/2+y,1/2+z
'   +x,1/2-y,   +z'
'1/2+x,   +y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
Ir1 0.15705(2) 0.2500 0.70557(5) 0.0319(1) 1. ST Uani d
Ir3 0.08871(1) 0.33719(2) 0.52401(3) 0.03119(8) 1.000 . Uani d
Mo5 0.19529(5) 0.2500 0.4250(1) 0.0302(3) 1. ST Uani d
Mo4 0.03079(5) 0.2500 0.7549(1) 0.0296(3) 1. ST Uani d
O11 0.2283(4) 0.3929(6) 0.8413(8) 0.103(4) 1.000 . Uani d
O31 0.0617(4) 0.5038(4) 0.6674(9) 0.087(3) 1.000 . Uani d
O32 0.0248(4) 0.3606(5) 0.2520(8) 0.079(3) 1.000 . Uani d
O35 0.2067(3) 0.4446(4) 0.5075(7) 0.065(2) 1.000 . Uani d
O51 0.3106(5) 0.2500 0.613(1) 0.095(5) 1. ST Uani d
O41 0.0863(3) 0.3860(5) 0.9525(8) 0.075(3) 1.000 . Uani d
C11 0.2009(5) 0.3391(7) 0.7905(9) 0.053(3) 1.000 . Uani d
C31 0.0699(5) 0.4403(5) 0.615(1) 0.056(3) 1.000 . Uani d
C32 0.0479(5) 0.3564(6) 0.355(1) 0.050(3) 1.000 . Uani d
C35 0.1829(4) 0.3781(6) 0.4924(9) 0.041(3) 1.000 . Uani d
C51 0.2652(7) 0.2500 0.554(1) 0.059(5) 1. ST Uani d
C41 0.0715(4) 0.3352(7) 0.874(1) 0.051(3) 1.000 . Uani d
C501 0.2719(4) 0.2950(6) 0.2745(9) 0.051(3) 1.000 . Uani d
C502 0.2135(5) 0.3235(6) 0.2210(8) 0.042(3) 1.000 . Uani d
C503 0.1784(7) 0.2500 0.190(1) 0.043(4) 1. ST Uani d
C511 0.3262(5) 0.3524(9) 0.306(1) 0.081(4) 1.000 . Uani d
C512 0.1972(6) 0.4154(6) 0.1841(9) 0.062(3) 1.000 . Uani d
C401 -0.0732(4) 0.2953(7) 0.702(1) 0.056(3) 1.000 . Uani d
C402 -0.0559(5) 0.3230(5) 0.832(1) 0.050(3) 1.000 . Uani d
C403 -0.0452(5) 0.2500 0.912(1) 0.036(3) 1. ST Uani d
C411 -0.0936(6) 0.353(1) 0.589(1) 0.137(7) 1.000 . Uani d
C412 -0.0610(6) 0.4136(7) 0.888(1) 0.091(5) 1.000 . Uani d
H1 0.0312 0.2500 0.5683 0.063 1. S Uiso d
H503 0.1374 0.2500 0.1534 0.053 1. S Uiso d
H511b 0.3616 0.3184 0.3263 0.097 1.000 . Uiso c
H511a 0.3348 0.3874 0.2288 0.097 1.000 . Uiso c
H511c 0.3164 0.3875 0.3818 0.097 1.000 . Uiso c
H512a 0.2085 0.4261 0.0921 0.075 1.000 . Uiso c
H512b 0.1537 0.4239 0.1949 0.075 1.000 . Uiso c
H512c 0.2191 0.4534 0.2424 0.075 1.000 . Uiso c
H403 -0.0329 0.2500 1.0053 0.043 1. S Uiso d
H411a -0.1260 0.3893 0.6212 0.164 1.000 . Uiso c
H411b -0.0595 0.3871 0.5600 0.164 1.000 . Uiso c
H411c -0.1084 0.3198 0.5149 0.164 1.000 . Uiso c
H412b -0.0290 0.4228 0.9532 0.109 1.000 . Uiso c
H412c -0.0566 0.4535 0.8154 0.109 1.000 . Uiso c
H412a -0.1003 0.4209 0.9301 0.109 1.000 . Uiso c
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 116 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 108 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Mo 0 8 -1.825 0.688
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ir 0 12 -2.066 7.990
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O 0 44 0.008 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-1 5 3
-1 5 -3
3 3 0
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
Ir3 Ir1 Ir3 61.07(2) . 7 yes
Ir3 Ir1 Mo5 61.38(2) . . yes
Ir3 Ir1 Mo4 64.93(2) . . yes
Ir3 Ir1 C11 101.2(3) . . yes
Ir3 Ir1 C11 161.3(3) . 7 yes
Ir3 Ir1 Mo5 61.38(2) 7 . yes
Ir3 Ir1 Mo4 64.93(2) 7 . yes
Ir3 Ir1 C11 161.3(3) 7 . yes
Ir3 Ir1 C11 101.2(3) 7 7 yes
Mo5 Ir1 Mo4 116.74(3) . . yes
Mo5 Ir1 C11 106.3(3) . . yes
Mo5 Ir1 C11 106.3(3) . 7 yes
Mo4 Ir1 C11 114.7(3) . . yes
Mo4 Ir1 C11 114.7(3) . 7 yes
C11 Ir1 C11 95.7(6) . 7 yes
Ir1 Ir3 Ir3 59.465(9) . 7 yes
Ir1 Ir3 Mo5 62.61(2) . . yes
Ir1 Ir3 Mo4 58.84(2) . . yes
Ir1 Ir3 C31 103.8(3) . . yes
Ir1 Ir3 C32 156.0(3) . . yes
Ir1 Ir3 C35 74.3(2) . . yes
Ir1 Ir3 H1 80.8 . . no
Ir3 Ir3 Mo5 61.32(1) 7 . yes
Ir3 Ir3 Mo4 62.21(1) 7 . yes
Ir3 Ir3 C31 148.7(3) 7 . yes
Ir3 Ir3 C32 99.1(3) 7 . yes
Ir3 Ir3 C35 107.3(2) 7 . yes
Ir3 Ir3 H1 43.9 7 . no
Mo5 Ir3 Mo4 112.70(2) . . yes
Mo5 Ir3 C31 138.2(3) . . yes
Mo5 Ir3 C32 98.7(3) . . yes
Mo5 Ir3 C35 48.0(2) . . yes
Mo5 Ir3 H1 105.2 . . no
Mo4 Ir3 C31 86.6(3) . . yes
Mo4 Ir3 C32 123.5(3) . . yes
Mo4 Ir3 C35 130.8(2) . . yes
Mo4 Ir3 H1 37.5 . . no
C31 Ir3 C32 100.3(4) . . yes
C31 Ir3 C35 91.0(4) . . yes
C31 Ir3 H1 111.5 . . no
C32 Ir3 C35 105.3(4) . . yes
C32 Ir3 H1 90.6 . . no
C35 Ir3 H1 149.9 . . no
Ir1 Mo5 Ir3 56.00(2) . . yes
Ir1 Mo5 Ir3 56.00(2) . 7 yes
Ir1 Mo5 C35 70.5(2) . . yes
Ir1 Mo5 C35 70.5(2) . 7 yes
Ir1 Mo5 C51 66.5(4) . . yes
Ir1 Mo5 C501 144.3(2) . . yes
Ir1 Mo5 C501 144.3(2) . 7 yes
Ir1 Mo5 C502 150.1(2) . . yes
Ir1 Mo5 C502 150.1(2) . 7 yes
Ir1 Mo5 C503 154.4(4) . . yes
Ir3 Mo5 Ir3 57.35(2) . 7 yes
Ir3 Mo5 C35 48.7(2) . . yes
Ir3 Mo5 C35 104.1(2) . 7 yes
Ir3 Mo5 C51 113.4(3) . . yes
Ir3 Mo5 C501 130.2(2) . . yes
Ir3 Mo5 C501 159.4(2) . 7 yes
Ir3 Mo5 C502 101.1(2) . . yes
Ir3 Mo5 C502 131.5(2) . 7 yes
Ir3 Mo5 C503 102.2(3) . . yes
Ir3 Mo5 C35 104.1(2) 7 . yes
Ir3 Mo5 C35 48.7(2) 7 7 yes
Ir3 Mo5 C51 113.4(3) 7 . yes
Ir3 Mo5 C501 159.4(2) 7 . yes
Ir3 Mo5 C501 130.2(2) 7 7 yes
Ir3 Mo5 C502 131.5(2) 7 . yes
Ir3 Mo5 C502 101.1(2) 7 7 yes
Ir3 Mo5 C503 102.2(3) 7 . yes
C35 Mo5 C35 140.8(5) . 7 yes
C35 Mo5 C51 84.0(3) . . yes
C35 Mo5 C501 90.1(3) . . yes
C35 Mo5 C501 124.9(3) . 7 yes
C35 Mo5 C502 79.9(3) . . yes
C35 Mo5 C502 138.5(3) . 7 yes
C35 Mo5 C503 106.7(2) . . yes
C35 Mo5 C51 84.0(3) 7 . yes
C35 Mo5 C501 124.9(3) 7 . yes
C35 Mo5 C501 90.1(3) 7 7 yes
C35 Mo5 C502 138.5(3) 7 . yes
C35 Mo5 C502 79.9(3) 7 7 yes
C35 Mo5 C503 106.7(2) 7 . yes
C51 Mo5 C501 82.4(4) . . yes
C51 Mo5 C501 82.4(4) . 7 yes
C51 Mo5 C502 115.1(4) . . yes
C51 Mo5 C502 115.1(4) . 7 yes
C51 Mo5 C503 139.1(5) . . yes
C501 Mo5 C501 35.2(5) . 7 yes
C501 Mo5 C502 35.8(3) . . yes
C501 Mo5 C502 59.1(3) . 7 yes
C501 Mo5 C503 58.8(4) . . yes
C501 Mo5 C502 59.1(3) 7 . yes
C501 Mo5 C502 35.8(3) 7 7 yes
C501 Mo5 C503 58.8(4) 7 . yes
C502 Mo5 C502 58.7(4) . 7 yes
C502 Mo5 C503 35.0(3) . . yes
C502 Mo5 C503 35.0(3) 7 . yes
Ir1 Mo4 Ir3 56.23(2) . . yes
Ir1 Mo4 C41 70.6(3) . . yes
Ir1 Mo4 C401 151.4(2) . . yes
Ir1 Mo4 C402 148.3(2) . . yes
Ir1 Mo4 C403 146.7(3) . . yes
Ir1 Mo4 H1 79.6 . . no
Ir3 Mo4 Ir3 55.59(2) . 7 yes
Ir3 Mo4 C41 87.5(3) . . yes
Ir3 Mo4 C41 125.8(3) . 7 yes
Ir3 Mo4 C401 95.3(2) . . yes
Ir3 Mo4 C401 111.5(2) . 7 yes
Ir3 Mo4 C402 111.5(2) . . yes
Ir3 Mo4 C402 145.8(3) . 7 yes
Ir3 Mo4 C403 147.4(2) . . yes
Ir3 Mo4 H1 39.0 . . no
Ir3 Mo4 C41 125.8(3) 7 . yes
Ir3 Mo4 C41 87.5(3) 7 7 yes
Ir3 Mo4 C401 111.5(2) 7 . yes
Ir3 Mo4 C401 95.3(2) 7 7 yes
Ir3 Mo4 C402 145.8(3) 7 . yes
Ir3 Mo4 C402 111.5(2) 7 7 yes
Ir3 Mo4 C403 147.4(2) 7 . yes
Ir3 Mo4 H1 39.0 7 . no
C41 Mo4 C41 84.6(6) . 7 yes
C41 Mo4 C401 110.0(4) . . yes
C41 Mo4 C401 137.6(4) . 7 yes
C41 Mo4 C402 80.3(4) . . yes
C41 Mo4 C402 119.7(4) . 7 yes
C41 Mo4 C403 85.1(4) . . yes
C41 Mo4 H1 126.2 . . no
C41 Mo4 C401 137.6(4) 7 . yes
C41 Mo4 C401 110.0(4) 7 7 yes
C41 Mo4 C402 119.7(4) 7 . yes
C41 Mo4 C402 80.3(4) 7 7 yes
C41 Mo4 C403 85.1(4) 7 . yes
C41 Mo4 H1 126.2 7 . no
C401 Mo4 C401 34.2(5) . 7 yes
C401 Mo4 C402 34.4(3) . . yes
C401 Mo4 C402 57.7(3) . 7 yes
C401 Mo4 C403 58.2(4) . . yes
C401 Mo4 H1 77.7 . . no
C401 Mo4 C402 57.7(3) 7 . yes
C401 Mo4 C402 34.4(3) 7 7 yes
C401 Mo4 C403 58.2(4) 7 . yes
C401 Mo4 H1 77.7 7 . no
C402 Mo4 C402 59.1(4) . 7 yes
C402 Mo4 C403 35.9(3) . . yes
C402 Mo4 H1 109.3 . . no
C402 Mo4 C403 35.9(3) 7 . yes
C402 Mo4 H1 109.3 7 . no
C403 Mo4 H1 133.6 . . no
Ir1 C11 O11 179(1) . . yes
Ir3 C31 O31 176(1) . . yes
Ir3 C32 O32 174.0(9) . . yes
Ir3 C35 Mo5 83.3(3) . . yes
Ir3 C35 O35 131.3(8) . . yes
Mo5 C35 O35 145.3(8) . . yes
Mo5 C51 O51 170(1) . . yes
Mo4 C41 O41 169.6(9) . . yes
Mo5 C501 C501 72.4(2) . 7 yes
Mo5 C501 C502 72.7(5) . . yes
Mo5 C501 C511 127.0(7) . . yes
C501 C501 C502 108.1(5) 7 . yes
C501 C501 C511 126.6(7) 7 . yes
C502 C501 C511 125(1) . . yes
Mo5 C502 C501 71.4(5) . . yes
Mo5 C502 C503 72.3(6) . . yes
Mo5 C502 C512 128.8(6) . . yes
C501 C502 C503 107.3(9) . . yes
C501 C502 C512 125.6(9) . . yes
C503 C502 C512 126.5(9) . . yes
Mo5 C503 C502 72.6(6) . . yes
Mo5 C503 C502 72.6(6) . 7 yes
Mo5 C503 H503 120.9 . . no
C502 C503 C502 109(1) . 7 yes
C502 C503 H503 125.4 . . no
C502 C503 H503 125.4 7 . no
C501 C511 H511b 109.5 . . no
C501 C511 H511a 109.5 . . no
C501 C511 H511c 109.5 . . no
H511b C511 H511a 109.5 . . no
H511b C511 H511c 109.5 . . no
H511a C511 H511c 109.5 . . no
C502 C512 H512a 109.5 . . no
C502 C512 H512b 109.5 . . no
C502 C512 H512c 109.5 . . no
H512a C512 H512b 109.5 . . no
H512a C512 H512c 109.5 . . no
H512b C512 H512c 109.5 . . no
Mo4 C401 C401 72.9(3) . 7 yes
Mo4 C401 C402 69.3(5) . . yes
Mo4 C401 C411 127.9(7) . . yes
C401 C401 C402 108.0(6) 7 . yes
C401 C401 C411 127.3(9) 7 . yes
C402 C401 C411 124(1) . . yes
Mo4 C402 C401 76.3(5) . . yes
Mo4 C402 C403 69.6(6) . . yes
Mo4 C402 C412 129.3(7) . . yes
C401 C402 C403 107.7(9) . . yes
C401 C402 C412 127(1) . . yes
C403 C402 C412 124(1) . . yes
Mo4 C403 C402 74.6(6) . . yes
Mo4 C403 C402 74.6(6) . 7 yes
Mo4 C403 H403 117.1 . . no
C402 C403 C402 108(1) . 7 yes
C402 C403 H403 125.8 . . no
C402 C403 H403 125.8 7 . no
C401 C411 H411a 109.5 . . no
C401 C411 H411b 109.5 . . no
C401 C411 H411c 109.5 . . no
H411a C411 H411b 109.5 . . no
H411a C411 H411c 109.5 . . no
H411b C411 H411c 109.5 . . no
C402 C412 H412b 109.5 . . no
C402 C412 H412c 109.5 . . no
C402 C412 H412a 109.5 . . no
H412b C412 H412c 109.5 . . no
H412b C412 H412a 109.5 . . no
H412c C412 H412a 109.5 . . no
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
Ir1 Ir3 2.6808(5) . yes
Ir1 Ir3 2.6808(5) 7 yes
Ir1 Mo5 2.871(1) . yes
Ir1 Mo4 2.760(1) . yes
Ir1 C11 1.88(1) . yes
Ir1 C11 1.88(1) 7 yes
Ir3 Ir3 2.7241(6) 7 yes
Ir3 Mo5 2.839(1) . yes
Ir3 Mo4 2.9211(9) . yes
Ir3 C31 1.885(9) . yes
Ir3 C32 1.90(1) . yes
Ir3 C35 2.148(9) . yes
Ir3 H1 1.89 . no
Mo5 C35 2.124(9) . yes
Mo5 C35 2.124(9) 7 yes
Mo5 C51 1.97(1) . yes
Mo5 C501 2.322(8) . yes
Mo5 C501 2.322(8) 7 yes
Mo5 C502 2.340(8) . yes
Mo5 C502 2.340(8) 7 yes
Mo5 C503 2.34(1) . yes
Mo4 C41 1.98(1) . yes
Mo4 C41 1.98(1) 7 yes
Mo4 C401 2.404(8) . yes
Mo4 C401 2.404(8) 7 yes
Mo4 C402 2.314(9) . yes
Mo4 C402 2.314(9) 7 yes
Mo4 C403 2.25(1) . yes
Mo4 H1 1.83 . no
O11 C11 1.14(1) . yes
O31 C31 1.13(1) . yes
O32 C32 1.13(1) . yes
O35 C35 1.17(1) . yes
O51 C51 1.13(2) . yes
O41 C41 1.15(1) . yes
C501 C501 1.41(2) 7 yes
C501 C502 1.43(1) . yes
C501 C511 1.50(1) . yes
C502 C503 1.41(1) . yes
C502 C512 1.52(1) . yes
C503 H503 0.95 . no
C511 H511b 0.95 . no
C511 H511a 0.95 . no
C511 H511c 0.95 . no
C512 H512a 0.95 . no
C512 H512b 0.95 . no
C512 H512c 0.95 . no
C401 C401 1.41(2) 7 yes
C401 C402 1.40(1) . yes
C401 C411 1.49(2) . yes
C402 C403 1.41(1) . yes
C402 C412 1.52(1) . yes
C403 H403 0.95 . no
C411 H411a 0.95 . no
C411 H411b 0.95 . no
C411 H411c 0.95 . no
C412 H412b 0.95 . no
C412 H412c 0.95 . no
C412 H412a 0.95 . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O11 O35 3.32(1) 4_565 no
O11 C512 3.45(1) 1_556 no
O11 C512 3.73(1) 4_565 no
O11 C502 3.89(1) 1_556 no
O11 C411 3.94(2) 8_556 no
O31 O32 2.93(1) 5_566 no
O31 C32 3.22(1) 5_566 no
O31 C411 3.44(2) 5_566 no
O31 C511 3.57(1) 4_565 no
O32 O41 3.24(1) 1_554 no
O32 C41 3.86(1) 1_554 no
O32 C412 3.86(1) 5_566 no
O32 C31 3.94(1) 5_566 no
O35 C512 3.47(1) 4_565 no
O51 C403 3.11(1) 2_556 no
O51 C402 3.14(1) 2_556 no
O51 C402 3.14(1) 8_556 no
O51 C401 3.17(1) 2_556 no
O51 C401 3.17(1) 8_556 no
O51 C412 3.76(1) 2_556 no
O51 C412 3.76(1) 8_556 no
O51 C411 3.92(2) 2_556 no
O51 C411 3.92(2) 8_556 no
O41 C512 3.33(1) 1_556 no
O41 C412 3.54(1) 5_567 no
O41 C503 3.72(1) 1_556 no
O41 C502 3.92(1) 1_556 no
C31 C411 3.83(2) 5_566 no
C511 C412 3.98(2) 8_556 no
Ir1 C11 1.88(1) . no
Ir1 C11 1.88(1) 7 no
Ir1 C51 2.76(1) . no
Ir1 C41 2.81(1) . no
Ir1 C41 2.81(1) 7 no
Ir1 C35 2.946(9) . no
Ir1 C35 2.946(9) 7 no
Ir1 C31 3.626(9) . no
Ir1 C31 3.626(9) 7 no
Ir3 C31 1.885(9) . no
Ir3 C32 1.90(1) . no
Ir3 C35 2.148(9) . no
Ir3 C41 3.46(1) . no
Ir3 C32 3.558(9) 7 no
Ir3 C11 3.558(9) . no
Ir3 C35 3.938(9) 7 no
Mo5 C51 1.97(1) . no
Mo5 C35 2.124(9) . no
Mo5 C35 2.124(9) 7 no
Mo5 C32 3.646(9) . no
Mo5 C32 3.646(9) 7 no
Mo5 C11 3.846(9) . no
Mo5 C11 3.846(9) 7 no
Mo4 C41 1.98(1) . no
Mo4 C41 1.98(1) 7 no
Mo4 C31 3.380(9) . no
Mo4 C31 3.380(9) 7 no
Mo4 C11 3.93(1) . no
Mo4 C11 3.93(1) 7 no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Ir1 Ir3 Ir3 Mo5 . 7 . -73.38(3) no
Ir1 Ir3 Ir3 Mo4 . 7 . 68.40(3) no
Ir1 Ir3 Ir3 C31 . 7 7 64.0(6) no
Ir1 Ir3 Ir3 C32 . 7 7 -168.4(3) no
Ir1 Ir3 Ir3 C35 . 7 7 -59.1(2) no
Ir1 Ir3 Mo5 Ir3 . . 7 68.36(1) no
Ir1 Ir3 Mo5 C35 . . . -93.2(3) no
Ir1 Ir3 Mo5 C35 . . 7 54.2(2) no
Ir1 Ir3 Mo5 C51 . . . -35.3(2) no
Ir1 Ir3 Mo5 C501 . . . -135.5(3) no
Ir1 Ir3 Mo5 C501 . . 7 -173.2(7) no
Ir1 Ir3 Mo5 C502 . . . -159.1(2) no
Ir1 Ir3 Mo5 C502 . . 7 143.1(3) no
Ir1 Ir3 Mo5 C503 . . . 165.2(2) no
Ir1 Ir3 Mo4 Ir3 . . 7 -69.36(1) no
Ir1 Ir3 Mo4 C41 . . . 68.2(3) no
Ir1 Ir3 Mo4 C41 . . 7 -13.3(4) no
Ir1 Ir3 Mo4 C401 . . . 178.2(3) no
Ir1 Ir3 Mo4 C401 . . 7 -150.7(3) no
Ir1 Ir3 Mo4 C402 . . . 146.8(3) no
Ir1 Ir3 Mo4 C402 . . 7 -146.9(4) no
Ir1 Ir3 Mo4 C403 . . . 145.2(5) no
Ir1 Ir3 C35 Mo5 . . . 67.1(2) no
Ir1 Ir3 C35 O35 . . . -115(1) no
Ir1 Ir3 Ir3 Mo5 7 . . 73.38(3) no
Ir1 Ir3 Ir3 Mo4 7 . . -68.40(3) no
Ir1 Ir3 Ir3 C31 7 . . -64.0(6) no
Ir1 Ir3 Ir3 C32 7 . . 168.4(3) no
Ir1 Ir3 Ir3 C35 7 . . 59.1(2) no
Ir1 Ir3 Mo5 Ir3 7 . . -68.36(1) no
Ir1 Ir3 Mo5 C35 7 . . -54.2(2) no
Ir1 Ir3 Mo5 C35 7 . 7 93.2(3) no
Ir1 Ir3 Mo5 C51 7 . . 35.3(2) no
Ir1 Ir3 Mo5 C501 7 . . 173.2(7) no
Ir1 Ir3 Mo5 C501 7 . 7 135.5(3) no
Ir1 Ir3 Mo5 C502 7 . . -143.1(3) no
Ir1 Ir3 Mo5 C502 7 . 7 159.1(2) no
Ir1 Ir3 Mo5 C503 7 . . -165.2(2) no
Ir1 Ir3 Mo4 Ir3 7 . . 69.36(1) no
Ir1 Ir3 Mo4 C41 7 . . 13.3(4) no
Ir1 Ir3 Mo4 C41 7 . 7 -68.2(3) no
Ir1 Ir3 Mo4 C401 7 . . 150.7(3) no
Ir1 Ir3 Mo4 C401 7 . 7 -178.2(3) no
Ir1 Ir3 Mo4 C402 7 . . 146.9(4) no
Ir1 Ir3 Mo4 C402 7 . 7 -146.8(3) no
Ir1 Ir3 Mo4 C403 7 . . -145.2(5) no
Ir1 Ir3 C35 Mo5 7 7 . -67.1(2) no
Ir1 Mo5 Ir3 Ir3 . . 7 -68.36(1) no
Ir1 Mo5 Ir3 Mo4 . . . -31.96(2) no
Ir1 Mo5 Ir3 C31 . . . 79.8(5) no
Ir1 Mo5 Ir3 C32 . . . -164.0(3) no
Ir1 Mo5 Ir3 C35 . . . 93.2(3) no
Ir1 Mo5 Ir3 Ir3 . 7 . 68.36(1) no
Ir1 Mo5 Ir3 Mo4 . 7 . 31.96(2) no
Ir1 Mo5 Ir3 C31 . 7 7 -79.8(5) no
Ir1 Mo5 Ir3 C32 . 7 7 164.0(3) no
Ir1 Mo5 Ir3 C35 . 7 7 -93.2(3) no
Ir1 Mo5 C35 Ir3 . . . -61.4(2) no
Ir1 Mo5 C35 Ir3 . 7 7 61.4(2) no
Ir1 Mo5 C501 C501 . . 7 116.3(4) no
Ir1 Mo5 C501 C502 . . . -127.7(5) no
Ir1 Mo5 C501 C511 . . . -7(1) no
Ir1 Mo5 C501 C501 . 7 . -116.3(4) no
Ir1 Mo5 C501 C502 . 7 7 127.7(5) no
Ir1 Mo5 C501 C511 . 7 7 7(1) no
Ir1 Mo5 C502 C501 . . . 112.0(6) no
Ir1 Mo5 C502 C503 . . . -132.1(6) no
Ir1 Mo5 C502 C512 . . . -9(1) no
Ir1 Mo5 C502 C501 . 7 7 -112.0(6) no
Ir1 Mo5 C502 C503 . 7 . 132.1(6) no
Ir1 Mo5 C502 C512 . 7 7 9(1) no
Ir1 Mo5 C503 C502 . . . 121.3(6) no
Ir1 Mo5 C503 C502 . . 7 -121.3(6) no
Ir1 Mo4 Ir3 Ir3 . . 7 69.36(1) no
Ir1 Mo4 Ir3 Mo5 . . . 33.31(3) no
Ir1 Mo4 Ir3 C31 . . . -108.4(3) no
Ir1 Mo4 Ir3 C32 . . . 151.6(3) no
Ir1 Mo4 Ir3 C35 . . . -20.0(3) no
Ir1 Mo4 Ir3 Ir3 . 7 . -69.36(1) no
Ir1 Mo4 Ir3 Mo5 . 7 . -33.31(3) no
Ir1 Mo4 Ir3 C31 . 7 7 108.4(3) no
Ir1 Mo4 Ir3 C32 . 7 7 -151.6(3) no
Ir1 Mo4 Ir3 C35 . 7 7 20.0(3) no
Ir1 Mo4 C41 O41 . . . -174(5) no
Ir1 Mo4 C41 O41 . 7 7 174(5) no
Ir1 Mo4 C401 C401 . . 7 124.4(5) no
Ir1 Mo4 C401 C402 . . . -118.0(5) no
Ir1 Mo4 C401 C411 . . . 0(2) no
Ir1 Mo4 C401 C401 . 7 . -124.4(5) no
Ir1 Mo4 C401 C402 . 7 7 118.0(5) no
Ir1 Mo4 C401 C411 . 7 7 -0(2) no
Ir1 Mo4 C402 C401 . . . 126.4(6) no
Ir1 Mo4 C402 C403 . . . -118.4(6) no
Ir1 Mo4 C402 C412 . . . -0(1) no
Ir1 Mo4 C402 C401 . 7 7 -126.4(6) no
Ir1 Mo4 C402 C403 . 7 . 118.4(6) no
Ir1 Mo4 C402 C412 . 7 7 0(1) no
Ir1 Mo4 C403 C402 . . . 122.7(6) no
Ir1 Mo4 C403 C402 . . 7 -122.7(6) no
Ir3 Ir1 Ir3 Mo5 . 7 . 71.23(2) no
Ir3 Ir1 Ir3 Mo4 . 7 . -73.98(2) no
Ir3 Ir1 Ir3 C31 . 7 7 -151.2(3) no
Ir3 Ir1 Ir3 C32 . 7 7 29.2(8) no
Ir3 Ir1 Ir3 C35 . 7 7 121.6(2) no
Ir3 Ir1 Mo5 C35 . . . 52.7(3) no
Ir3 Ir1 Mo5 C35 . . 7 -123.5(3) no
Ir3 Ir1 Mo5 C51 . . . 144.64(1) no
Ir3 Ir1 Mo5 C501 . . . 113.4(4) no
Ir3 Ir1 Mo5 C501 . . 7 175.9(4) no
Ir3 Ir1 Mo5 C502 . . . 44.8(5) no
Ir3 Ir1 Mo5 C502 . . 7 -115.5(5) no
Ir3 Ir1 Mo5 C503 . . . -35.36(1) no
Ir3 Ir1 Mo4 C41 . . . -100.4(3) no
Ir3 Ir1 Mo4 C41 . . 7 168.6(3) no
Ir3 Ir1 Mo4 C401 . . . -3.8(5) no
Ir3 Ir1 Mo4 C401 . . 7 72.1(5) no
Ir3 Ir1 Mo4 C402 . . . -75.9(5) no
Ir3 Ir1 Mo4 C402 . . 7 144.2(5) no
Ir3 Ir1 Mo4 C403 . . . -145.88(1) no
Ir3 Ir3 Ir1 Mo5 7 . . -71.23(2) no
Ir3 Ir3 Ir1 Mo4 7 . . 73.98(2) no
Ir3 Ir3 Ir1 C11 7 . . -19(1) no
Ir3 Ir3 Ir1 C11 7 . 7 -173.8(3) no
Ir3 Ir3 Mo5 C35 7 . . 14.2(2) no
Ir3 Ir3 Mo5 C35 7 . 7 161.6(3) no
Ir3 Ir3 Mo5 C51 7 . . 103.7(2) no
Ir3 Ir3 Mo5 C501 7 . . -118.5(7) no
Ir3 Ir3 Mo5 C501 7 . 7 -156.2(3) no
Ir3 Ir3 Mo5 C502 7 . . -74.8(3) no
Ir3 Ir3 Mo5 C502 7 . 7 -132.6(2) no
Ir3 Ir3 Mo5 C503 7 . . -96.8(2) no
Ir3 Ir3 Mo4 C41 7 . . -56.1(4) no
Ir3 Ir3 Mo4 C41 7 . 7 -137.6(3) no
Ir3 Ir3 Mo4 C401 7 . . 81.4(3) no
Ir3 Ir3 Mo4 C401 7 . 7 112.5(3) no
Ir3 Ir3 Mo4 C402 7 . . 77.5(4) no
Ir3 Ir3 Mo4 C402 7 . 7 143.8(3) no
Ir3 Ir3 Mo4 C403 7 . . 145.4(5) no
Ir3 Ir3 C35 Mo5 7 7 . -16.9(3) no
Ir3 Mo5 Ir1 Mo4 . . . 35.36(1) no
Ir3 Mo5 Ir1 C11 . . . -94.0(3) no
Ir3 Mo5 Ir1 C11 . . 7 164.8(3) no
Ir3 Mo5 Ir3 Mo4 . 7 . -36.40(3) no
Ir3 Mo5 Ir3 C31 . 7 7 -148.1(5) no
Ir3 Mo5 Ir3 C32 . 7 7 95.6(3) no
Ir3 Mo5 Ir3 C35 . 7 7 -161.6(3) no
Ir3 Mo5 C501 C501 . . 7 -158.1(3) no
Ir3 Mo5 C501 C502 . . . -42.1(6) no
Ir3 Mo5 C501 C511 . . . 79(1) no
Ir3 Mo5 C501 C501 . 7 . 54.0(6) no
Ir3 Mo5 C501 C502 . 7 7 -62(1) no
Ir3 Mo5 C501 C511 . 7 7 177.0(7) no
Ir3 Mo5 C502 C501 . . . 148.6(5) no
Ir3 Mo5 C502 C503 . . . -95.6(6) no
Ir3 Mo5 C502 C512 . . . 27.4(9) no
Ir3 Mo5 C502 C501 . 7 7 155.5(4) no
Ir3 Mo5 C502 C503 . 7 . 39.7(8) no
Ir3 Mo5 C502 C512 . 7 7 -83.3(9) no
Ir3 Mo5 C503 C502 . . . 91.9(6) no
Ir3 Mo5 C503 C502 . . 7 -150.7(6) no
Ir3 Mo4 Ir1 Mo5 . . . -34.12(1) no
Ir3 Mo4 Ir1 C11 . . . 91.2(3) no
Ir3 Mo4 Ir1 C11 . . 7 -159.4(3) no
Ir3 Mo4 Ir3 Mo5 . 7 . 36.05(3) no
Ir3 Mo4 Ir3 C31 . 7 7 177.7(3) no
Ir3 Mo4 Ir3 C32 . 7 7 -82.2(3) no
Ir3 Mo4 Ir3 C35 . 7 7 89.4(3) no
Ir3 Mo4 C401 C401 . . 7 121.21(9) no
Ir3 Mo4 C401 C402 . . . -121.2(5) no
Ir3 Mo4 C401 C411 . . . -3(1) no
Ir3 Mo4 C401 C401 . 7 . -66.2(1) no
Ir3 Mo4 C401 C402 . 7 7 176.2(5) no
Ir3 Mo4 C401 C411 . 7 7 58(1) no
Ir3 Mo4 C402 C401 . . . 66.3(6) no
Ir3 Mo4 C402 C403 . . . -178.5(5) no
Ir3 Mo4 C402 C412 . . . -60(1) no
Ir3 Mo4 C402 C401 . 7 7 -6.3(8) no
Ir3 Mo4 C402 C403 . 7 . -121.5(6) no
Ir3 Mo4 C402 C412 . 7 7 120(1) no
Ir3 Mo4 C403 C402 . . . 2.6(9) no
Ir3 Mo4 C403 C402 . . 7 117.2(5) no
Ir3 C35 Mo5 C35 . . 7 -55.8(8) no
Ir3 C35 Mo5 C51 . . . -128.6(4) no
Ir3 C35 Mo5 C501 . . . 149.1(3) no
Ir3 C35 Mo5 C501 . . 7 155.1(3) no
Ir3 C35 Mo5 C502 . . . 114.6(3) no
Ir3 C35 Mo5 C502 . . 7 109.8(5) no
Ir3 C35 Mo5 C503 . . . 91.8(4) no
Mo5 Ir1 Ir3 Mo4 . . . 145.21(2) no
Mo5 Ir1 Ir3 C31 . . . -137.5(3) no
Mo5 Ir1 Ir3 C32 . . . 42.0(8) no
Mo5 Ir1 Ir3 C35 . . . -50.4(2) no
Mo5 Ir1 Ir3 Mo4 . 7 . -145.21(2) no
Mo5 Ir1 Ir3 C31 . 7 7 137.5(3) no
Mo5 Ir1 Ir3 C32 . 7 7 -42.0(8) no
Mo5 Ir1 Ir3 C35 . 7 7 50.4(2) no
Mo5 Ir1 Mo4 C41 . . . -134.5(3) no
Mo5 Ir1 Mo4 C41 . . 7 134.5(3) no
Mo5 Ir1 Mo4 C401 . . . -38.0(5) no
Mo5 Ir1 Mo4 C401 . . 7 38.0(5) no
Mo5 Ir1 Mo4 C402 . . . -110.1(5) no
Mo5 Ir1 Mo4 C402 . . 7 110.1(5) no
Mo5 Ir1 Mo4 C403 . . . 180.0000 no
Mo5 Ir3 Ir1 Mo4 . . . -145.21(2) no
Mo5 Ir3 Ir1 C11 . . . 102.6(3) no
Mo5 Ir3 Ir1 C11 . . 7 -52(1) no
Mo5 Ir3 Ir3 Mo4 . 7 . 141.77(4) no
Mo5 Ir3 Ir3 C31 . 7 7 137.4(6) no
Mo5 Ir3 Ir3 C32 . 7 7 -95.0(3) no
Mo5 Ir3 Ir3 C35 . 7 7 14.2(2) no
Mo5 Ir3 Mo4 C41 . . . 101.6(3) no
Mo5 Ir3 Mo4 C41 . . 7 20.1(4) no
Mo5 Ir3 Mo4 C401 . . . -148.5(3) no
Mo5 Ir3 Mo4 C401 . . 7 -117.4(3) no
Mo5 Ir3 Mo4 C402 . . . -179.9(3) no
Mo5 Ir3 Mo4 C402 . . 7 -113.6(4) no
Mo5 Ir3 Mo4 C403 . . . 178.5(5) no
Mo5 Ir3 Ir1 Mo4 7 . . 145.21(2) no
Mo5 Ir3 Ir1 C11 7 . . 52(1) no
Mo5 Ir3 Ir1 C11 7 . 7 -102.6(3) no
Mo5 Ir3 Ir3 Mo4 7 . . -141.77(4) no
Mo5 Ir3 Ir3 C31 7 . . -137.4(6) no
Mo5 Ir3 Ir3 C32 7 . . 95.0(3) no
Mo5 Ir3 Ir3 C35 7 . . -14.2(2) no
Mo5 Ir3 Mo4 C41 7 . . -20.1(4) no
Mo5 Ir3 Mo4 C41 7 . 7 -101.6(3) no
Mo5 Ir3 Mo4 C401 7 . . 117.4(3) no
Mo5 Ir3 Mo4 C401 7 . 7 148.5(3) no
Mo5 Ir3 Mo4 C402 7 . . 113.6(4) no
Mo5 Ir3 Mo4 C402 7 . 7 179.9(3) no
Mo5 Ir3 Mo4 C403 7 . . -178.5(5) no
Mo5 C35 Ir3 Mo4 . . . 84.8(3) no
Mo5 C35 Ir3 C31 . . . 171.1(4) no
Mo5 C35 Ir3 C32 . . . -88.0(4) no
Mo5 C35 Ir3 Mo4 7 7 . -84.8(3) no
Mo5 C35 Ir3 C31 7 7 7 -171.1(4) no
Mo5 C35 Ir3 C32 7 7 7 88.0(4) no
Mo5 C501 C501 C502 . 7 7 64.5(5) no
Mo5 C501 C501 C511 . 7 7 -123.5(8) no
Mo5 C501 C502 C503 . . . -63.9(7) no
Mo5 C501 C502 C512 . . . 125.0(8) no
Mo5 C501 C501 C502 7 . . -64.5(5) no
Mo5 C501 C501 C511 7 . . 123.5(8) no
Mo5 C501 C502 C503 7 7 . 63.9(7) no
Mo5 C501 C502 C512 7 7 7 -125.0(8) no
Mo5 C502 C501 C501 . . 7 64.2(2) no
Mo5 C502 C501 C511 . . . -123.5(9) no
Mo5 C502 C503 C502 . . 7 -63.8(8) no
Mo5 C502 C501 C501 7 7 . -64.2(2) no
Mo5 C502 C501 C511 7 7 7 123.5(9) no
Mo5 C502 C503 C502 7 . . 63.8(8) no
Mo5 C503 C502 C501 . . . 63.3(6) no
Mo5 C503 C502 C512 . . . -125.7(9) no
Mo5 C503 C502 C501 . 7 7 -63.3(6) no
Mo5 C503 C502 C512 . 7 7 125.7(9) no
Mo4 Ir1 Ir3 C31 . . . 77.3(3) no
Mo4 Ir1 Ir3 C32 . . . -103.2(8) no
Mo4 Ir1 Ir3 C35 . . . 164.4(2) no
Mo4 Ir1 Ir3 C31 . 7 7 -77.3(3) no
Mo4 Ir1 Ir3 C32 . 7 7 103.2(8) no
Mo4 Ir1 Ir3 C35 . 7 7 -164.4(2) no
Mo4 Ir1 Mo5 C35 . . . 88.1(3) no
Mo4 Ir1 Mo5 C35 . . 7 -88.1(3) no
Mo4 Ir1 Mo5 C51 . . . 180.0000 no
Mo4 Ir1 Mo5 C501 . . . 148.7(4) no
Mo4 Ir1 Mo5 C501 . . 7 -148.7(4) no
Mo4 Ir1 Mo5 C502 . . . 80.2(5) no
Mo4 Ir1 Mo5 C502 . . 7 -80.2(5) no
Mo4 Ir1 Mo5 C503 . . . 0.0000(1) no
Mo4 Ir3 Ir1 C11 . . . -112.2(3) no
Mo4 Ir3 Ir1 C11 . . 7 93(1) no
Mo4 Ir3 Ir3 C31 . 7 7 -4.4(6) no
Mo4 Ir3 Ir3 C32 . 7 7 123.2(3) no
Mo4 Ir3 Ir3 C35 . 7 7 -127.5(2) no
Mo4 Ir3 Mo5 C35 . . . -125.2(3) no
Mo4 Ir3 Mo5 C35 . . 7 22.2(2) no
Mo4 Ir3 Mo5 C51 . . . -67.3(2) no
Mo4 Ir3 Mo5 C501 . . . -167.5(3) no
Mo4 Ir3 Mo5 C501 . . 7 154.9(7) no
Mo4 Ir3 Mo5 C502 . . . 169.0(2) no
Mo4 Ir3 Mo5 C502 . . 7 111.2(3) no
Mo4 Ir3 Mo5 C503 . . . 133.2(2) no
Mo4 Ir3 Ir1 C11 7 . . -93(1) no
Mo4 Ir3 Ir1 C11 7 . 7 112.2(3) no
Mo4 Ir3 Ir3 C31 7 . . 4.4(6) no
Mo4 Ir3 Ir3 C32 7 . . -123.2(3) no
Mo4 Ir3 Ir3 C35 7 . . 127.5(2) no
Mo4 Ir3 Mo5 C35 7 . . -22.2(2) no
Mo4 Ir3 Mo5 C35 7 . 7 125.2(3) no
Mo4 Ir3 Mo5 C51 7 . . 67.3(2) no
Mo4 Ir3 Mo5 C501 7 . . -154.9(7) no
Mo4 Ir3 Mo5 C501 7 . 7 167.5(3) no
Mo4 Ir3 Mo5 C502 7 . . -111.2(3) no
Mo4 Ir3 Mo5 C502 7 . 7 -169.0(2) no
Mo4 Ir3 Mo5 C503 7 . . -133.2(2) no
Mo4 C401 C401 C402 . 7 7 60.7(5) no
Mo4 C401 C401 C411 . 7 7 -124.9(8) no
Mo4 C401 C402 C403 . . . -63.0(7) no
Mo4 C401 C402 C412 . . . 129(1) no
Mo4 C401 C401 C402 7 . . -60.7(5) no
Mo4 C401 C401 C411 7 . . 124.9(8) no
Mo4 C401 C402 C403 7 7 . 63.0(7) no
Mo4 C401 C402 C412 7 7 7 -129(1) no
Mo4 C402 C401 C401 . . 7 63.0(2) no
Mo4 C402 C401 C411 . . . -122(1) no
Mo4 C402 C403 C402 . . 7 -67.5(8) no
Mo4 C402 C401 C401 7 7 . -63.0(2) no
Mo4 C402 C401 C411 7 7 7 122(1) no
Mo4 C402 C403 C402 7 . . 67.5(8) no
Mo4 C403 C402 C401 . . . 67.4(7) no
Mo4 C403 C402 C412 . . . -124(1) no
Mo4 C403 C402 C401 . 7 7 -67.4(7) no
Mo4 C403 C402 C412 . 7 7 124(1) no
C11 Ir1 Ir3 C31 . . . -34.9(4) no
C11 Ir1 Ir3 C32 . . . 144.6(8) no
C11 Ir1 Ir3 C35 . . . 52.2(4) no
C11 Ir1 Ir3 C31 . 7 7 -170(1) no
C11 Ir1 Ir3 C32 . 7 7 10(1) no
C11 Ir1 Ir3 C35 . 7 7 102(1) no
C11 Ir1 Mo5 C35 . . . -41.3(4) no
C11 Ir1 Mo5 C35 . . 7 142.5(4) no
C11 Ir1 Mo5 C51 . . . 50.6(3) no
C11 Ir1 Mo5 C501 . . . 19.3(5) no
C11 Ir1 Mo5 C501 . . 7 81.9(5) no
C11 Ir1 Mo5 C502 . . . -49.2(6) no
C11 Ir1 Mo5 C502 . . 7 150.4(6) no
C11 Ir1 Mo5 C503 . . . -129.4(3) no
C11 Ir1 Mo4 C41 . . . -9.2(5) no
C11 Ir1 Mo4 C41 . . 7 -100.2(4) no
C11 Ir1 Mo4 C401 . . . 87.3(6) no
C11 Ir1 Mo4 C401 . . 7 163.3(6) no
C11 Ir1 Mo4 C402 . . . 15.2(6) no
C11 Ir1 Mo4 C402 . . 7 -124.6(6) no
C11 Ir1 Mo4 C403 . . . -54.7(3) no
C31 Ir3 Ir3 C31 . 7 7 0.0000 no
C31 Ir3 Ir3 C32 . 7 7 127.6(7) no
C31 Ir3 Ir3 C35 . 7 7 -123.2(7) no
C31 Ir3 Mo5 C35 . . . -13.4(5) no
C31 Ir3 Mo5 C35 . . 7 134.0(5) no
C31 Ir3 Mo5 C51 . . . 44.5(5) no
C31 Ir3 Mo5 C501 . . . -55.7(6) no
C31 Ir3 Mo5 C501 . . 7 -93.4(8) no
C31 Ir3 Mo5 C502 . . . -79.3(5) no
C31 Ir3 Mo5 C502 . . 7 -137.1(5) no
C31 Ir3 Mo5 C503 . . . -115.0(5) no
C31 Ir3 Mo4 C41 . . . -40.1(5) no
C31 Ir3 Mo4 C41 . . 7 -121.6(5) no
C31 Ir3 Mo4 C401 . . . 69.8(4) no
C31 Ir3 Mo4 C401 . . 7 100.9(4) no
C31 Ir3 Mo4 C402 . . . 38.5(4) no
C31 Ir3 Mo4 C402 . . 7 104.7(5) no
C31 Ir3 Mo4 C403 . . . 36.8(6) no
C32 Ir3 Ir3 C32 . 7 7 0.0000 no
C32 Ir3 Ir3 C35 . 7 7 109.3(4) no
C32 Ir3 Mo5 C35 . . . 102.8(4) no
C32 Ir3 Mo5 C35 . . 7 -109.8(4) no
C32 Ir3 Mo5 C51 . . . 160.7(4) no
C32 Ir3 Mo5 C501 . . . 60.5(4) no
C32 Ir3 Mo5 C501 . . 7 22.8(8) no
C32 Ir3 Mo5 C502 . . . 37.0(4) no
C32 Ir3 Mo5 C502 . . 7 -20.8(4) no
C32 Ir3 Mo5 C503 . . . 1.2(4) no
C32 Ir3 Mo4 C41 . . . -140.2(4) no
C32 Ir3 Mo4 C41 . . 7 138.3(5) no
C32 Ir3 Mo4 C401 . . . -30.2(4) no
C32 Ir3 Mo4 C401 . . 7 0.9(4) no
C32 Ir3 Mo4 C402 . . . -61.6(4) no
C32 Ir3 Mo4 C402 . . 7 4.7(5) no
C32 Ir3 Mo4 C403 . . . -63.2(6) no
C35 Ir3 Ir3 C35 . 7 7 0.0000 no
C35 Ir3 Mo5 C51 . . . 57.9(4) no
C35 Ir3 Mo5 C501 . . . -42.3(4) no
C35 Ir3 Mo5 C501 . . 7 -80.0(8) no
C35 Ir3 Mo5 C502 . . . -65.8(4) no
C35 Ir3 Mo5 C502 . . 7 -123.7(4) no
C35 Ir3 Mo5 C503 . . . -101.6(4) no
C35 Ir3 Mo4 C41 . . . 48.2(4) no
C35 Ir3 Mo4 C41 . . 7 -33.3(5) no
C35 Ir3 Mo4 C401 . . . 158.1(4) no
C35 Ir3 Mo4 C401 . . 7 -170.7(4) no
C35 Ir3 Mo4 C402 . . . 126.8(4) no
C35 Ir3 Mo4 C402 . . 7 -166.9(5) no
C35 Ir3 Mo4 C403 . . . 125.2(6) no
C35 Mo5 C501 C501 . . 7 171.5(3) no
C35 Mo5 C501 C502 . . . -72.4(6) no
C35 Mo5 C501 C511 . . . 48(1) no
C35 Mo5 C501 C501 . 7 . -10.4(3) no
C35 Mo5 C501 C502 . 7 7 -126.5(6) no
C35 Mo5 C501 C511 . 7 7 113(1) no
C35 Mo5 C502 C501 . . . 104.4(6) no
C35 Mo5 C502 C503 . . . -139.7(7) no
C35 Mo5 C502 C512 . . . -16.7(9) no
C35 Mo5 C502 C501 . 7 7 84.7(7) no
C35 Mo5 C502 C503 . 7 . -31.1(9) no
C35 Mo5 C502 C512 . 7 7 -154.1(8) no
C35 Mo5 C503 C502 . . . 41.7(7) no
C35 Mo5 C503 C502 . . 7 159.1(6) no
C51 Mo5 C501 C501 . . 7 87.6(1) no
C51 Mo5 C501 C502 . . . -156.4(5) no
C51 Mo5 C501 C511 . . . -35.4(9) no
C51 Mo5 C501 C501 . 7 . -87.6(1) no
C51 Mo5 C501 C502 . 7 7 156.4(5) no
C51 Mo5 C501 C511 . 7 7 35.4(9) no
C51 Mo5 C502 C501 . . . 26.0(6) no
C51 Mo5 C502 C503 . . . 141.9(6) no
C51 Mo5 C502 C512 . . . -95.2(9) no
C51 Mo5 C502 C501 . 7 7 -26.0(6) no
C51 Mo5 C502 C503 . 7 . -141.9(6) no
C51 Mo5 C502 C512 . 7 7 95.2(9) no
C51 Mo5 C503 C502 . . . -58.7(6) no
C51 Mo5 C503 C502 . . 7 58.7(6) no
C41 Mo4 C401 C401 . . 7 -149.5(3) no
C41 Mo4 C401 C402 . . . -31.9(6) no
C41 Mo4 C401 C411 . . . 86(1) no
C41 Mo4 C401 C401 . 7 . 45.0(5) no
C41 Mo4 C401 C402 . 7 7 -72.6(8) no
C41 Mo4 C401 C411 . 7 7 169(1) no
C41 Mo4 C402 C401 . . . 149.7(6) no
C41 Mo4 C402 C403 . . . -95.1(7) no
C41 Mo4 C402 C412 . . . 23(1) no
C41 Mo4 C402 C401 . 7 7 132.2(6) no
C41 Mo4 C402 C403 . 7 . 17.1(8) no
C41 Mo4 C402 C412 . 7 7 -101(1) no
C41 Mo4 C403 C402 . . . 80.2(6) no
C41 Mo4 C403 C402 . . 7 -165.2(7) no
C501 Mo5 C501 C502 . 7 7 -116.1(5) no
C501 Mo5 C501 C511 . 7 7 123.0(9) no
C501 Mo5 C502 C503 . . . 115.8(9) no
C501 Mo5 C502 C512 . . . -121(1) no
C501 Mo5 C502 C503 . 7 . -78.7(7) no
C501 Mo5 C502 C512 . 7 7 158(1) no
C501 Mo5 C503 C502 . . . -38.0(6) no
C501 Mo5 C503 C502 . . 7 79.4(7) no
C501 C501 Mo5 C502 7 . . 37.8(3) no
C501 C501 Mo5 C502 7 . 7 116.1(5) no
C501 C501 Mo5 C503 7 . . 78.9(2) no
C501 C501 C502 C503 7 7 . -0.3(8) no
C501 C501 C502 C512 7 7 7 170.8(7) no
C501 C502 Mo5 C502 . . 7 -79.2(5) no
C501 C502 Mo5 C503 . . . -115.8(9) no
C501 C502 C503 C502 . . 7 -1(1) no
C502 Mo5 C501 C511 . . . 121(1) no
C502 Mo5 C501 C511 . 7 7 161(1) no
C502 Mo5 C502 C503 . 7 . -36.6(7) no
C502 Mo5 C502 C512 . 7 7 -159.6(8) no
C502 C501 Mo5 C503 . . . 37.1(5) no
C502 C501 C501 C502 . 7 7 0.0000 no
C502 C501 C501 C511 . 7 7 172(1) no
C502 C503 C502 C512 . 7 7 -170.5(6) no
C503 Mo5 C501 C511 . . . 158(1) no
C503 Mo5 C501 C511 . 7 7 -158(1) no
C503 Mo5 C502 C512 . . . 123(1) no
C503 Mo5 C502 C512 . 7 7 -123(1) no
C503 C502 C501 C511 . . . 172.5(9) no
C503 C502 C501 C511 7 7 7 -172.5(9) no
C511 C501 C501 C511 . 7 7 0.0000 no
C511 C501 C502 C512 . . . 1(1) no
C401 Mo4 C401 C402 . 7 7 -117.6(5) no
C401 Mo4 C401 C411 . 7 7 124(1) no
C401 Mo4 C402 C403 . . . 115.2(9) no
C401 Mo4 C402 C412 . . . -127(1) no
C401 Mo4 C402 C403 . 7 . -79.0(7) no
C401 Mo4 C402 C412 . 7 7 163(1) no
C401 Mo4 C403 C402 . . . -37.1(6) no
C401 Mo4 C403 C402 . . 7 77.6(7) no
C401 C401 Mo4 C402 7 . . 36.4(3) no
C401 C401 Mo4 C402 7 . 7 117.6(5) no
C401 C401 Mo4 C403 7 . . 79.0(2) no
C401 C401 C402 C403 7 7 . -0.0(9) no
C401 C401 C402 C412 7 7 7 167.8(9) no
C401 C402 Mo4 C402 . . 7 -76.8(6) no
C401 C402 Mo4 C403 . . . -115.2(9) no
C401 C402 C403 C402 . . 7 -0(1) no
C402 Mo4 C401 C411 . . . 118(2) no
C402 Mo4 C401 C411 . 7 7 161(1) no
C402 Mo4 C402 C403 . 7 . -38.4(7) no
C402 Mo4 C402 C412 . 7 7 -156.5(9) no
C402 C401 Mo4 C403 . . . 38.6(5) no
C402 C401 C401 C402 . 7 7 0.0000 no
C402 C401 C401 C411 . 7 7 174(1) no
C402 C403 C402 C412 . 7 7 -168.2(7) no
C403 Mo4 C401 C411 . . . 157(1) no
C403 Mo4 C401 C411 . 7 7 -157(1) no
C403 Mo4 C402 C412 . . . 118(1) no
C403 Mo4 C402 C412 . 7 7 -118(1) no
C403 C402 C401 C411 . . . 175(1) no
C403 C402 C401 C411 7 7 7 -175(1) no
C411 C401 C401 C411 . 7 7 0.0000 no
C411 C401 C402 C412 . . . 7(2) no
