Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.
Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan; The journal of physical chemistry letters  (2020) 2067–; doi:10.1021/acs.jpclett.9b03382

data_8000425
_publ_section_title
;
 Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic
 Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.
;
_journal_name_full               'The journal of physical chemistry letters'
_journal_page_first              2067
_journal_paper_doi               10.1021/acs.jpclett.9b03382
_journal_year                    2020
_chemical_formula_moiety         'C48 H36 Ag6 N18'
_chemical_formula_sum            'C48 H36 Ag6 N18'
_chemical_formula_weight         1512.17
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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_diffrn_measurement_details
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  1 omega   37.00   64.20   0.8000   70.0000
omega____ theta____ kappa____ phi______ frames
    -       13.8244  178.0000  -30.0000 34

  2 omega  -16.00   86.40   0.8000   70.0000
omega____ theta____ kappa____ phi______ frames
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omega____ theta____ kappa____ phi______ frames
    -       13.8244  -38.0000 -120.0000 75
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colorless
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'w=1/[\s^2^(Fo^2^)+(0.0133P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C15(H15), C16(H16), C12(H12), C3(H3), C23(H23), C7(H7), C24(H24),
 C20(H20), C9(H9), C8(H8), C11(H11), C2(H2), C10(H10), C1(H1), C19(H19),
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_olex2_submission_special_instructions 'No special instructions were received'