Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties
Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat; RSC Adv. 4 (2014) 25357–; doi:10.1039/C4RA02751E

data_7235660
_publ_section_title
;
 Dimeric complexes of rare-earth substituted Keggin-type silicotungstates:
 syntheses, crystal structure and solid state properties
;
_journal_issue                   48
_journal_name_full               'RSC Adv.'
_journal_page_first              25357
_journal_paper_doi               10.1039/C4RA02751E
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         '0.5(C8 Gd4 K16 Na8 O208 Si4 W44), 6(O)'
_chemical_formula_sum            'C4 Gd2 K8 Na4 O110 Si2 W22'
_chemical_formula_weight         6627.92
_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'
_symmetry_Int_Tables_number      14
_audit_creation_date             2014-03-26
_audit_creation_method
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Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4813)
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
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_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_unetI/netI     0.0568
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
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_refine_ls_goodness_of_fit_ref   1.0369
_refine_ls_hydrogen_treatment    undef
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_refine_ls_number_parameters     389
_refine_ls_number_reflns         9899
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_refine_ls_restrained_S_all      1.0369
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.0298
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0360P)^2^+547.4914P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1202
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              23
_reflns_limit_h_min              -24
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_gt                8886
_reflns_number_total             9899
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c4ra02751e2.cif
_cod_data_source_block           FHMS-27
_cod_database_code               7235660
_chemical_oxdiff_usercomment     '12 NOV 2013'
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
;