#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:35:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179337 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/34/4323437.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_4323437
loop_
_publ_author_name
'F. Albert Cotton'
'Günter Schmid'
_publ_section_title
;
 Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen
 Ligands in Trans Configuration and Chelating Biphosphine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2267
_journal_page_last               2278
_journal_paper_doi               10.1021/ic961071v
_journal_volume                  36
_journal_year                    1997
_chemical_compound_source        'reac. of Mo(N2)2(dppee)2 with Te/PEt3'
_chemical_formula_analytical     'comp. confirmed by EDX'
_chemical_formula_moiety         'C52 H44 Mo1 P4 Te2'
_chemical_formula_structural
;
 Mo (Te)2 ( (C6 H5)2 P C H C H P (C6 H5)2 )2
;
_chemical_formula_sum            'C52 H44 Mo P4 Te2'
_chemical_formula_weight         1143.89
_chemical_name_common            trans-Mo(Te)₂(dppee)₂
_chemical_name_systematic
;
trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P')-di-tellurido-
molybdenum(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                104.60(2)
_cell_angle_beta                 111.61(2)
_cell_angle_gamma                75.12(2)
_cell_formula_units_Z            2
_cell_length_a                   12.681(4)
_cell_length_b                   19.280(5)
_cell_length_c                   10.454(3)
_cell_measurement_reflns_used    65
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      4.8
_cell_volume                     2261.0(12)
_computing_cell_refinement       'LCR (Ulm, 1992)'
_computing_data_collection       AFC5R
_computing_data_reduction        TEXSAN
_computing_molecular_graphics    'ORTEP (ULM, 1992)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'MSC Rigaku AFC5R'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_sigmaI/netI    0.1063
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7090
_diffrn_reflns_theta_max         60.00
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        9.6
_diffrn_standards_interval_count 250
_diffrn_standards_interval_time  'based on interval_count'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.960
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   'empirical \Y-scan correction'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not done'
_exptl_crystal_description       'very thin needle'
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.914
_refine_diff_density_min         -0.985
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.047
_refine_ls_goodness_of_fit_obs   1.087
_refine_ls_hydrogen_treatment    'HFIX 43, common U'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     539
_refine_ls_number_reflns         6735
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_restrained_S_obs      1.087
_refine_ls_R_factor_all          0.1188
_refine_ls_R_factor_obs          0.0500
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0609P)²+7.5947P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1425
_refine_ls_wR_factor_obs         0.1170
_reflns_number_observed          4402
_reflns_number_total             6736
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic961071v_4.cif
_cod_data_source_block           MoTe2dppee2_4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (20 times).

'_geom_bond_publ_flag' value 'N'
changed to 'n' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (48
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29 (28 times).

'_geom_angle_publ_flag'
value 'N' changed to 'n' according to the built-in table from CIF
Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29
(76 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+7.5947P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+7.5947P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2261.1(11)
_cod_database_code               4323437
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mo1 Mo 0.0000 0.5000 0.0000 0.0229(3) Uani 1 d S .
Te1 Te -0.01817(6) 0.36535(4) -0.07931(7) 0.0376(2) Uani 1 d . .
P11 P -0.1896(2) 0.54035(14) -0.1791(3) 0.0287(6) Uani 1 d . .
P12 P 0.0706(2) 0.50105(14) -0.1946(3) 0.0285(6) Uani 1 d . .
C11 C -0.1593(9) 0.5476(5) -0.3318(10) 0.032(2) Uani 1 d . .
H11 H -0.2203(9) 0.5625(5) -0.4082(10) 0.048(23) Uiso 1 calc R .
C11A C -0.2739(9) 0.6318(5) -0.1416(10) 0.031(2) Uani 1 d . .
C11B C -0.3050(10) 0.6831(6) -0.2254(12) 0.044(3) Uani 1 d . .
H11B H -0.2809(10) 0.6727(6) -0.3032(12) 0.066(9) Uiso 1 calc R .
C11C C -0.3719(11) 0.7502(6) -0.1957(14) 0.055(3) Uani 1 d . .
H11C H -0.3898(11) 0.7858(6) -0.2500(14) 0.066(9) Uiso 1 calc R .
C11D C -0.4120(10) 0.7633(7) -0.0820(15) 0.056(4) Uani 1 d . .
H11D H -0.4602(10) 0.8072(7) -0.0635(15) 0.066(9) Uiso 1 calc R .
C11E C -0.3821(11) 0.7135(7) 0.0007(13) 0.056(4) Uani 1 d . .
H11E H -0.4071(11) 0.7238(7) 0.0778(13) 0.066(9) Uiso 1 calc R .
C11F C -0.3142(10) 0.6470(6) -0.0281(11) 0.043(3) Uani 1 d . .
H11F H -0.2953(10) 0.6122(6) 0.0282(11) 0.066(9) Uiso 1 calc R .
C11G C -0.3044(9) 0.4872(6) -0.2710(11) 0.037(3) Uani 1 d . .
C11H C -0.4179(9) 0.5082(7) -0.2659(12) 0.043(3) Uani 1 d . .
H11H H -0.4374(9) 0.5513(7) -0.2084(12) 0.066(9) Uiso 1 calc R .
C11I C -0.4990(12) 0.4669(8) -0.3429(14) 0.061(4) Uani 1 d . .
H11I H -0.5724(12) 0.4818(8) -0.3349(14) 0.066(9) Uiso 1 calc R .
C11K C -0.4767(12) 0.4037(8) -0.4327(14) 0.058(4) Uani 1 d . .
H11K H -0.5341(12) 0.3766(8) -0.4865(14) 0.066(9) Uiso 1 calc R .
C11L C -0.3670(12) 0.3818(7) -0.4405(13) 0.055(3) Uani 1 d . .
H11L H -0.3492(12) 0.3390(7) -0.4997(13) 0.066(9) Uiso 1 calc R .
C11M C -0.2834(10) 0.4228(7) -0.3613(11) 0.049(3) Uani 1 d . .
H11M H -0.2097(10) 0.4067(7) -0.3683(11) 0.066(9) Uiso 1 calc R .
C12 C -0.0541(9) 0.5325(5) -0.3375(10) 0.029(2) Uani 1 d . .
H12 H -0.0427(9) 0.5381(5) -0.4171(10) 0.048(23) Uiso 1 calc R .
C12A C 0.1294(10) 0.4188(6) -0.2998(10) 0.037(3) Uani 1 d . .
C12B C 0.2419(10) 0.4023(6) -0.2996(12) 0.042(3) Uani 1 d . .
H12B H 0.2919(10) 0.4340(6) -0.2436(12) 0.066(9) Uiso 1 calc R .
C12C C 0.2822(11) 0.3402(7) -0.3799(14) 0.055(3) Uani 1 d . .
H12C H 0.3586(11) 0.3301(7) -0.3775(14) 0.066(9) Uiso 1 calc R .
C12D C 0.2085(13) 0.2934(7) -0.4636(14) 0.058(4) Uani 1 d . .
H12D H 0.2344(13) 0.2524(7) -0.5209(14) 0.066(9) Uiso 1 calc R .
C12E C 0.0980(13) 0.3066(7) -0.4631(12) 0.057(4) Uani 1 d . .
H12E H 0.0491(13) 0.2739(7) -0.5178(12) 0.066(9) Uiso 1 calc R .
C12F C 0.0584(11) 0.3690(6) -0.3805(10) 0.042(3) Uani 1 d . .
H12F H -0.0169(11) 0.3775(6) -0.3794(10) 0.066(9) Uiso 1 calc R .
C12G C 0.1708(9) 0.5601(6) -0.1726(11) 0.033(2) Uani 1 d . .
C12H C 0.1561(12) 0.6003(7) -0.2700(13) 0.055(3) Uani 1 d . .
H12H H 0.0898(12) 0.6008(7) -0.3479(13) 0.066(9) Uiso 1 calc R .
C12I C 0.2372(13) 0.6404(7) -0.2557(15) 0.061(4) Uani 1 d . .
H12I H 0.2241(13) 0.6683(7) -0.3227(15) 0.066(9) Uiso 1 calc R .
C12K C 0.3358(12) 0.6394(7) -0.1445(16) 0.062(4) Uani 1 d . .
H12K H 0.3913(12) 0.6654(7) -0.1357(16) 0.066(9) Uiso 1 calc R .
C12L C 0.3519(11) 0.5990(8) -0.0448(15) 0.062(4) Uani 1 d . .
H12L H 0.4190(11) 0.5973(8) 0.0320(15) 0.066(9) Uiso 1 calc R .
C12M C 0.2695(10) 0.5615(7) -0.0590(12) 0.050(3) Uani 1 d . .
H12M H 0.2804(10) 0.5360(7) 0.0108(12) 0.066(9) Uiso 1 calc R .
Mo2 Mo 0.0000 0.0000 0.0000 0.0236(3) Uani 1 d S .
Te2 Te -0.10231(7) 0.02430(4) -0.24991(7) 0.0413(2) Uani 1 d . .
P21 P 0.1364(2) 0.08130(14) 0.0294(3) 0.0287(6) Uani 1 d . .
P22 P -0.1096(2) 0.12225(14) 0.0788(3) 0.0299(6) Uani 1 d . .
C21 C 0.0786(10) 0.1748(5) 0.0989(11) 0.039(3) Uani 1 d . .
H21 H 0.1200(10) 0.2118(5) 0.1194(11) 0.033(20) Uiso 1 calc R .
C21A C 0.2820(9) 0.0735(6) 0.1556(10) 0.033(2) Uani 1 d . .
C21B C 0.2966(11) 0.0904(6) 0.2986(11) 0.044(3) Uani 1 d . .
H21B H 0.2325(11) 0.1059(6) 0.3287(11) 0.049(8) Uiso 1 calc R .
C21C C 0.4068(11) 0.0841(8) 0.3956(12) 0.057(4) Uani 1 d . .
H21C H 0.4147(11) 0.0953(8) 0.4902(12) 0.049(8) Uiso 1 calc R .
C21D C 0.5036(11) 0.0621(7) 0.3582(14) 0.060(4) Uani 1 d . .
H21D H 0.5767(11) 0.0575(7) 0.4249(14) 0.049(8) Uiso 1 calc R .
C21E C 0.4890(11) 0.0470(7) 0.2178(13) 0.054(3) Uani 1 d . .
H21E H 0.5538(11) 0.0320(7) 0.1891(13) 0.049(8) Uiso 1 calc R .
C21F C 0.3815(10) 0.0532(6) 0.1186(12) 0.042(3) Uani 1 d . .
H21F H 0.3752(10) 0.0437(6) 0.0246(12) 0.049(8) Uiso 1 calc R .
C21G C 0.1657(8) 0.0953(6) -0.1198(10) 0.032(2) Uani 1 d . .
C21H C 0.1790(10) 0.0347(6) -0.2235(11) 0.040(3) Uani 1 d . .
H21H H 0.1708(10) -0.0105(6) -0.2156(11) 0.049(8) Uiso 1 calc R .
C21I C 0.2039(10) 0.0413(8) -0.3370(11) 0.051(3) Uani 1 d . .
H21I H 0.2101(10) 0.0009(8) -0.4063(11) 0.049(8) Uiso 1 calc R .
C21K C 0.2197(11) 0.1063(8) -0.3488(12) 0.056(4) Uani 1 d . .
H21K H 0.2390(11) 0.1101(8) -0.4240(12) 0.049(8) Uiso 1 calc R .
C21L C 0.2067(12) 0.1663(7) -0.2476(13) 0.057(4) Uani 1 d . .
H21L H 0.2180(12) 0.2108(7) -0.2545(13) 0.049(8) Uiso 1 calc R .
C21M C 0.1767(10) 0.1614(6) -0.1350(12) 0.045(3) Uani 1 d . .
H21M H 0.1643(10) 0.2029(6) -0.0702(12) 0.049(8) Uiso 1 calc R .
C22 C -0.0217(9) 0.1893(6) 0.1198(12) 0.040(3) Uani 1 d . .
H22 H -0.0482(9) 0.2367(6) 0.1579(12) 0.033(20) Uiso 1 calc R .
C22A C -0.1523(9) 0.1473(5) 0.2394(11) 0.032(2) Uani 1 d . .
C22B C -0.2656(10) 0.1662(6) 0.2355(12) 0.044(3) Uani 1 d . .
H22B H -0.3246(10) 0.1690(6) 0.1506(12) 0.049(8) Uiso 1 calc R .
C22C C -0.2914(12) 0.1811(7) 0.3587(14) 0.058(3) Uani 1 d . .
H22C H -0.3679(12) 0.1940(7) 0.3566(14) 0.049(8) Uiso 1 calc R .
C22D C -0.2027(13) 0.1766(7) 0.4857(14) 0.061(4) Uani 1 d . .
H22D H -0.2200(13) 0.1853(7) 0.5681(14) 0.049(8) Uiso 1 calc R .
C22E C -0.0932(11) 0.1599(7) 0.4889(13) 0.058(4) Uani 1 d . .
H22E H -0.0342(11) 0.1575(7) 0.5740(13) 0.049(8) Uiso 1 calc R .
C22F C -0.0662(10) 0.1462(6) 0.3677(11) 0.043(3) Uani 1 d . .
H22F H 0.0107(10) 0.1361(6) 0.3721(11) 0.049(8) Uiso 1 calc R .
C22G C -0.2432(10) 0.1575(6) -0.0521(11) 0.038(3) Uani 1 d . .
C22H C -0.2467(11) 0.2185(6) -0.1091(12) 0.050(3) Uani 1 d . .
H22H H -0.1846(11) 0.2428(6) -0.0751(12) 0.049(8) Uiso 1 calc R .
C22I C -0.3453(19) 0.2408(9) -0.2166(16) 0.094(6) Uani 1 d . .
H22I H -0.3506(19) 0.2807(9) -0.2551(16) 0.049(8) Uiso 1 calc R .
C22K C -0.4337(17) 0.2032(10) -0.2644(16) 0.092(7) Uani 1 d . .
H22K H -0.4987(17) 0.2175(10) -0.3374(16) 0.049(8) Uiso 1 calc R .
C22L C -0.4306(13) 0.1449(9) -0.2090(15) 0.082(5) Uani 1 d . .
H22L H -0.4931(13) 0.1211(9) -0.2414(15) 0.049(8) Uiso 1 calc R .
C22M C -0.3329(11) 0.1231(7) -0.1048(12) 0.055(3) Uani 1 d . .
H22M H -0.3288(11) 0.0825(7) -0.0691(12) 0.049(8) Uiso 1 calc R .
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'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Te1 Mo1 P12 93.53(6) . . y
Te1 Mo1 P12 86.47(6) . 2_565 y
Te1 Mo1 P11 92.77(7) . . y
Te1 Mo1 P11 87.23(7) . 2_565 y
P12 Mo1 P11 80.35(9) . . y
P12 Mo1 P11 99.65(9) . 2_565 y
C11 P11 C11A 101.0(5) . . y
C11 P11 C11G 97.3(5) . . y
C11A P11 C11G 101.0(5) . . y
Mo1 P11 C11 107.7(3) . . n
Mo1 P11 C11G 125.9(4) . . n
Mo1 P11 C11A 119.3(3) . . n
P11 C11 C12 122.1(8) . . y
P11 C11A C11B 123.0(8) . . n
P11 C11A C11F 117.8(7) . . n
P11 C11G C11H 125.3(9) . . n
P11 C11G C11M 119.0(9) . . n
C11F C11A C11B 119.1(10) . . n
C11A C11B C11C 120.9(11) . . n
C11B C11C C11D 118.4(11) . . n
C11C C11D C11E 121.1(11) . . n
C11D C11E C11F 120.3(12) . . n
C11E C11F C11A 120.1(11) . . n
C11M C11G C11H 115.5(11) . . n
C11G C11H C11I 121.2(12) . . n
C11H C11I C11K 122.3(13) . . n
C11I C11K C11L 117.9(13) . . n
C11K C11L C11M 120.3(13) . . n
C11L C11M C11G 122.7(11) . . n
C12 P12 C12A 96.8(5) . . y
C12 P12 C12G 102.1(5) . . y
C12A P12 C12G 99.4(5) . . y
Mo1 P12 C12 107.7(3) . . n
Mo1 P12 C12A 124.5(3) . . n
Mo1 P12 C12G 121.7(3) . . n
P12 C12 C11 122.1(7) . . y
P12 C12A C12B 123.8(9) . . n
P12 C12A C12F 118.6(8) . . n
P12 C12G C12H 122.7(9) . . n
P12 C12G C12M 120.2(8) . . n
C12F C12A C12B 117.5(10) . . n
C12A C12B C12C 121.9(12) . . n
C12B C12C C12D 119.4(12) . . n
C12C C12D C12E 120.4(12) . . n
C12D C12E C12F 119.8(13) . . n
C12E C12F C12A 120.9(12) . . n
C12M C12G C12H 117.0(11) . . n
C12G C12H C12I 121.6(13) . . n
C12H C12I C12K 120.4(12) . . n
C12I C12K C12L 118.6(12) . . n
C12K C12L C12M 119.9(13) . . n
C12L C12M C12G 122.4(11) . . n
Te2 Mo2 P21 91.62(6) . 2 y
Te2 Mo2 P21 88.38(6) . . y
Te2 Mo2 P22 92.80(7) . 2 y
Te2 Mo2 P22 87.20(7) . . y
P22 Mo2 P21 79.46(9) . . y
P22 Mo2 P21 100.54(9) . 2 y
C21 P21 C21A 98.5(5) . . y
C21 P21 C21G 101.4(5) . . y
C21A P21 C21G 99.8(4) . . y
Mo2 P21 C21 108.7(4) . . n
Mo2 P21 C21A 122.7(3) . . n
Mo2 P21 C21G 121.6(3) . . n
P21 C21 C22 119.9(9) . . y
P21 C21A C21B 119.4(8) . . n
P21 C21A C21F 123.8(8) . . n
P21 C21G C21H 117.9(8) . . n
P21 C21G C21M 123.7(8) . . n
C21F C21A C21B 116.8(10) . . n
C21A C21B C21C 120.0(11) . . n
C21B C21C C21D 122.8(11) . . n
C21C C21D C21E 117.1(12) . . n
C21D C21E C21F 121.9(12) . . n
C21E C21F C21A 121.4(10) . . n
C21M C21G C21H 118.4(9) . . n
C21G C21H C21I 120.8(11) . . n
C21H C21I C21K 120.8(12) . . n
C21I C21K C21L 119.0(11) . . n
C21K C21L C21M 121.2(11) . . n
C21L C21M C2GL 119.9(11) . . n
C22 P22 C22A 98.7(5) . . y
C22 P22 C22G 103.5(5) . . y
C22A P22 C22G 101.8(5) . . y
Mo2 P22 C22 108.4(4) . . n
Mo2 P22 C22A 125.1(3) . . n
Mo2 P22 C22G 116.3(3) . . n
P22 C22 C21 123.3(9) . . y
P22 C22A C22B 122.7(9) . . n
P22 C22A C22F 118.4(8) . . n
P22 C22G C22H 119.2(9) . . n
P22 C22G C22M 121.2(9) . . n
C22F C22A C22B 118.9(10) . . n
C22A C22B C22C 119.7(11) . . n
C22B C22C C22D 119.9(12) . . n
C22C C22D C22E 119.9(12) . . n
C22D C22E C22F 120.8(12) . . n
C22E C22F C22A 120.7(11) . . n
C22M C22G C22H 119.3(11) . . n
C22G C22H C22I 118.5(14) . . n
C22H C22I C22K 118.8(16) . . n
C22I C22K C22L 122.6(16) . . n
C22K C22L C22M 118.0(17) . . n
C22L C22M C22G 122.7(15) . . n
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 Te1 2.5615(10) . y
Mo1 P11 2.520(3) . y
Mo1 P12 2.513(2) . y
P11 C11 1.819(10) . y
P11 C11A 1.843(10) . y
P11 C11G 1.825(11) . y
P12 C12 1.823(10) . y
P12 C12A 1.844(11) . y
P12 C12G 1.832(10) . y
C11 C12 1.311(14) . y
C11A C11B 1.372(14) . n
C11A C11F 1.397(14) . n
C11B C11C 1.39(2) . n
C11C C11D 1.40(2) . n
C11D C11E 1.34(2) . n
C11E C11F 1.38(2) . n
C11G C11H 1.409(15) . n
C11G C11M 1.39(2) . n
C11H C11I 1.35(2) . n
C11I C11K 1.37(2) . n
C11K C11L 1.37(2) . n
C11L C11M 1.37(2) . n
C12A C12B 1.38(2) . n
C12A C12F 1.39(2) . n
C12B C12C 1.38(2) . n
C12C C12D 1.37(2) . n
C12D C12E 1.36(2) . n
C12E C12F 1.39(2) . n
C12G C12H 1.362(15) . n
C12G C12M 1.37(2) . n
C12H C12I 1.39(2) . n
C12I C12K 1.36(2) . n
C12K C12L 1.38(2) . n
C12L C12M 1.36(2) . n
Mo2 Te2 2.5566(11) . y
Mo2 P21 2.510(3) . y
Mo2 P22 2.519(3) . y
P21 C21 1.836(10) . y
P21 C21A 1.827(11) . y
P21 C21G 1.826(10) . y
P22 C22 1.791(11) . y
P22 C22A 1.864(10) . y
P22 C22G 1.837(11) . y
C21 C22 1.316(15) . y
C21A C21B 1.399(14) . n
C21A C21F 1.387(14) . n
C21B C21C 1.39(2) . n
C21C C21D 1.36(2) . n
C21D C21E 1.37(2) . n
C21E C21F 1.37(2) . n
C21G C21H 1.401(14) . n
C21G C21M 1.371(15) . n
C21H C21I 1.377(15) . n
C21I C21K 1.36(2) . n
C21K C21L 1.38(2) . n
C21L C21M 1.39(2) . n
C22A C22B 1.376(15) . n
C22A C22F 1.384(14) . n
C22B C22C 1.39(2) . n
C22C C22D 1.39(2) . n
C22D C22E 1.33(2) . n
C22E C22F 1.38(2) . n
C22G C22H 1.43(2) . n
C22G C22M 1.33(2) . n
C22H C22I 1.39(2) . n
C22I C22K 1.36(2) . n
C22K C22L 1.37(2) . n
C22L C22M 1.37(2) . n
