[Co(en)3][Sb12S19]: A New Antimony Sulfide with a Zeolite-like Structure Containing One-Dimensional Channels
Paz Vaqueiro; Ann M. Chippindale; Anthony V. Powell; Inorganic Chemistry 43 (2004) 7963–7965; doi:10.1021/ic048985z

data_4312161
_publ_contact_author_address
;                                                                               
School of Chemistry
University of Reading 
RG6 6AD                          
;
_publ_contact_author_email       a.m.chippindale@rdg.ac.uk
_publ_contact_author_fax         '0118 3786331'
_publ_contact_author_name        'Ann M Chippindale'
_publ_contact_author_phone       '0118 3788448'
_publ_section_title
;
 [Co(en)3][Sb12S19]: A New Antimony Sulfide with a Zeolite-like Structure
 Containing One-Dimensional Channels
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7963
_journal_page_last               7965
_journal_paper_doi               10.1021/ic048985z
_journal_volume                  43
_journal_year                    2004
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' S19 Sb12, C6 H24 Co N6 '
_chemical_formula_sum            'C6 H24 Co N6 S19 Sb12'
_chemical_formula_weight         2309.69
_chemical_name_systematic
;                                                                               
?                                                                               
;
_space_group_IT_number           14
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_cell_angle_gamma                90
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_computing_cell_refinement
; 
 Denzo/Scalepack (Otwinowski & Minor, 1996) 
;
_computing_data_collection
; 
 COLLECT (Nonius BV, 1997) 
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_computing_data_reduction
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 Denzo/Scalepack (Otwinowski & Minor, 1996) 
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_computing_molecular_graphics
; 
 CAMERON (Watkin et al 1996) 
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_computing_publication_material
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 CRYSTALS (Watkin et al 2001) 
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_computing_structure_refinement
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 CRYSTALS (Watkin et al 2001) 
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_computing_structure_solution
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 SIR92 (Altomare et al, 1994) 
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Nonius Kappa CCD 
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -37
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_diffrn_reflns_theta_max         27.476
_diffrn_reflns_theta_min         5.127
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; 
 Denzo/Scalepack (Otwinowski & Minor, 1996) 
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;
Method = Prince modified Chebychev polynomial, (Watkin, 1994) 
 W = [weight] * [1-(deltaF/6*sigmaF)^2]^2 
 
 0.738 0.623 0.478 
;
_refine_ls_weighting_scheme      calc
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_reflns_limit_k_min              0
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_reflns_limit_l_min              0
_reflns_number_gt                4120
_reflns_number_total             9916
_reflns_threshold_expression     I>3.00u(I)
_cod_data_source_file            ic048985zsi20041027_124509.cif
_cod_data_source_block           CRYSTALS_cif
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4421.66(15)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        ' C6 H24 Co N6 S19 Sb12 '
_cod_database_code               4312161