A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous Metal‒Organic Framework
You, Zhensheng; Li, Heng; Zhang, Lijun; Yu, Bing; Zhang, Jin; Wu, Xiaoming; The Journal of Physical Chemistry C 121 (2017) 23072–; doi:10.1021/acs.jpcc.7b07627

data_1547591
_publ_section_title
;
 A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous
 Metal--Organic Framework
;
_journal_issue                   41
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              23072
_journal_paper_doi               10.1021/acs.jpcc.7b07627
_journal_volume                  121
_journal_year                    2017
_chemical_formula_moiety         'C78 H64 Cl2 Cu2 P4'
_chemical_formula_sum            'C78 H64 Cl2 Cu2 P4'
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_chemical_melting_point          514.65
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2017-05-31 # Formatted by publCIF

;
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_cell_measurement_reflns_used    1897
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_computing_cell_refinement       'Bruker SAINT'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.180
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_refine_ls_R_factor_all          0.2529
_refine_ls_R_factor_gt           0.1200
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0920P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2434
_refine_ls_wR_factor_ref         0.3221
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10518
_reflns_number_total             25669
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jp7b07627_si_001.cif
_cod_data_source_block           Cu-P6
_cod_depositor_comments          'Adding full bibliography for 1547591.cif.'
_cod_original_cell_volume        7188.2(17)
_cod_database_code               1547591
_publcif_datablock.id            {1c186a6b-23f9-466b-9ea8-5297dfc8b297}
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.851
_shelx_estimated_absorpt_t_max   0.890
_shelx_res_checksum              75340
_shelx_hkl_checksum              79062
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_publcif_info_exptl_table_max_cols 4
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