Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties
Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing; CrystEngComm 18 (2016) 2490–; doi:10.1039/C5CE02492G

data_7224508
_publ_section_title
;
 Construction of three coordination polymers based on tetranuclear
 copper(ii) clusters: syntheses, structures and photocatalytic properties
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2490
_journal_paper_doi               10.1039/C5CE02492G
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C52 H54 Cu6 N10 O34, 4(H2 O)'
_chemical_formula_sum            'C52 H62 Cu6 N10 O38'
_chemical_formula_weight         1816.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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2015-11-26 deposited with the CCDC.
2016-03-04 downloaded from the CCDC.
;
_cell_angle_alpha                97.473(4)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      223(2)
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_diffrn_standards_decay_%        0
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CrysAlisPro, Agilent Technologies,
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(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         6937
_refine_ls_number_restraints     23
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_refine_ls_R_factor_all          0.0449
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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^)+(0.0447P)^2^+0.5825P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
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_reflns_number_gt                5862
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02492g2.cif
_cod_data_source_block           cuitpbtc
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7224508--7224510.cif.
;
_cod_original_cell_volume        1621.47(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7224508