Polyoxotungstate incorporating organotriphosphonate ligands: synthesis, characterization, and catalytic for alkene epoxidation.
Huo, Yu; Huo, Zhiyuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang; Inorganic chemistry 54 (2015) 406–408; doi:10.1021/ic502404m

data_4341982
_publ_section_title
;
 Polyoxotungstate incorporating organotriphosphonate ligands: synthesis,
 characterization, and catalytic for alkene epoxidation.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              406
_journal_page_last               408
_journal_paper_doi               10.1021/ic502404m
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C6 H66 As2 K4 N2 O137 P6 W28 Zn2'
_chemical_formula_weight         8143.32
_chemical_name_systematic
; 
 ? 
;
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_cell_formula_units_Z            4
_cell_length_a                   29.845(4)
_cell_length_b                   27.693(4)
_cell_length_c                   20.613(3)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.22
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_cell_volume                     14425(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    23.299
_exptl_absorpt_correction_T_max  0.0590
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.743
_exptl_crystal_density_method    'not measured'
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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^)+(0.1141P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1673
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_reflns_number_gt                8859
_reflns_number_total             12624
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_cod_data_source_file            ic502404m_si_002.cif
_cod_data_source_block           njy1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4341982.cif.
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_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4341982