A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.
Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing; Journal of the American Chemical Society 137 (2015) 9400–9408; doi:10.1021/jacs.5b04840

data_4124140
_publ_section_title
;
 A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a
 Systematic, Bottom-up Synthetic Approach.
;
_journal_issue                   29
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9400
_journal_page_last               9408
_journal_paper_doi               10.1021/jacs.5b04840
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C92 H76 Cu4 I4 N4 P4 S2'
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_symmetry_space_group_name_Hall  '-C 2yc'
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_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
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_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            42176
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_crystal_colour            yellow
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_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0333
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0346P)^2^+2.1292P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                6614
_reflns_number_total             8442
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b04840_si_008.cif
_cod_data_source_block           yf1_99a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct' changed to 'direct'
according to
/usr/data/users/saulius/crontab/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4124139--4124146.cif.
;
_cod_database_code               4124140
_shelx_estimated_absorpt_t_min   0.572
_shelx_estimated_absorpt_t_max   0.787
_shelxl_version_number           2014/6
_shelx_res_checksum              16662
_shelx_hkl_checksum              85740