A new heteroleptic cuprous complex with strong yellow photoluminescence
Xu, Kaijie; Hong, Mingwei; Zhang, Yicheng; Song, Li; Chai, Wenxiang; Acta Crystallographica Section C 70 (2014) –; doi:10.1107/S2053229614018014

data_2019647
_publ_section_title
;
 A new heteroleptic cuprous complex with strong yellow photoluminescence
;
_journal_coeditor_code           BG3182
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229614018014
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Cu (C36 H28 O P2) (C12 H8 N2 O) (C2 H3 N)] P F6'
_chemical_formula_moiety         'C50 H39 Cu N3 O2 P2 +, F6 P -'
_chemical_formula_sum            'C50 H39 Cu F6 N3 O2 P3'
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_chemical_name_systematic
;(Acetonitrile-\k<i>N</i>)({2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane-
\k^2^<i>P</i>,<i>P</i>')[2-(pyridin-4-yl-\k<i>N</i>)-1,3-benzoxazole]copper(I)
hexafluoridophosphate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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Olex2 1.2
(compiled 2014.03.12 svn.r2899 for OlexSys, GUI svn.r4796)
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CrysAlis PRO (Agilent, 2011)
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CrysAlis PRO (Agilent, 2011)
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CrysAlis PRO (Agilent, 2011)
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_diffrn_reflns_limit_h_min       -19
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;
(CrysAlis PRO; Agilent, 2011)
;
_exptl_crystal_colour            'clear light yellow'
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_refine_diff_density_min         -0.368
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0730P)^2^+0.9120P] where P=(Fo^2^+2Fc^2^)/3'
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