Two novel trivacant Keggin-type polytungstates supported manganese carbonyl derivatives synthesized by degradation of metastable [γ-XW10O36]8− (X = GeIV, SiIV)
Zhao, Juan; Wang, Junsheng; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Niu, Jingyang; Dalton Transactions 41 (2012) 5832–; doi:10.1039/c2dt12130a

data_7018840
_publ_section_title
;
 Two novel trivacant Keggin-type polytungstates supported manganese
 carbonyl derivatives synthesized by degradation of metastable
 [\g-XW10O36]8&#x2212; (X = GeIV, SiIV)
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              5832
_journal_paper_doi               10.1039/c2dt12130a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C3 H24 K8 Mn N0 O48 Si W9'
_chemical_formula_weight         2862.69
_chemical_name_systematic
;

?

;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   notdet
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                71.580(3)
_cell_angle_beta                 76.382(3)
_cell_angle_gamma                81.643(4)
_cell_formula_units_Z            2
_cell_length_a                   12.265(2)
_cell_length_b                   14.692(3)
_cell_length_c                   16.497(3)
_cell_measurement_reflns_used    720
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     2733.0(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13767
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    19.812
_exptl_absorpt_correction_T_max  0.1996
_exptl_absorpt_correction_T_min  0.0512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2564
_exptl_crystal_size_max          0.37
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0743P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1376
_refine_ls_wR_factor_ref         0.1445
_reflns_number_gt                7443
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12130a.txt
_cod_data_source_block           njy1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2733.1(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018840