Stepwise assembly of mixed-metal coordination cages containing both kinetically inert and kinetically labile metal ions: introduction of metal-centred redox and photophysical activity at specific sites.
Wragg, Ashley B.; Metherell, Alexander J.; Cullen, William; Ward, Michael D.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17939–17949; doi:10.1039/c5dt02957k

data_7036587
_publ_section_title
;
 Stepwise assembly of mixed-metal coordination cages containing both
 kinetically inert and kinetically labile metal ions: introduction of
 metal-centred redox and photophysical activity at specific sites.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17939
_journal_page_last               17949
_journal_paper_doi               10.1039/c5dt02957k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C336 H266 Cl16 Co4 N72 O65 Os4'
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_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-R 3'
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_symmetry_space_group_name_Hall  '-R 3'
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_audit_update_record
;
2015-09-18 deposited with the CCDC.
2015-09-21 downloaded from the CCDC.
;
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;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
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_computing_data_collection
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CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
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;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_measurement_device
;
AFC12 (Right): Kappa 3 circle
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_diffrn_measurement_device_type
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Rigaku Saturn724+ (2x2 bin mode)
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_exptl_crystal_colour            Red
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'Re-crystallisation from solvent: MeNO2, di(isopropeyl)ether'
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3825
_refine_ls_wR_factor_ref         0.4483
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5893
_reflns_number_total             14953
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02957k1.cif
_cod_data_source_block           r-3_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036586--7036588.cif.
;
_cod_original_cell_volume        38313(5)
_cod_database_code               7036587
_shelx_estimated_absorpt_t_min   0.940
_shelx_estimated_absorpt_t_max   0.940
_shelxl_version_number           2013-4
_shelx_res_checksum              6240
_shelx_fab_checksum              94562