Synthesis, characterization, photophysics and electrochemical study of luminescent iridium(iii) complexes with isocyanoborate ligands.
Chan, Kin-Cheung; Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu; Dalton transactions (Cambridge, England : 2003) 44 (2015) 15135–15144; doi:10.1039/c5dt00904a

data_7034908
_publ_section_title
;
 Synthesis, characterization, photophysics and electrochemical study of
 luminescent iridium(iii) complexes with isocyanoborate ligands.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15135
_journal_page_last               15144
_journal_paper_doi               10.1039/c5dt00904a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C59 H31 B F15 Ir N3 P'
_chemical_formula_sum            'C59 H31 B F15 Ir N3 P'
_chemical_formula_weight         1300.85
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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'Fri Aug 08 09:45:46 2014'
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CrysAlisPro, Oxford Diffraction Ltd.,
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;
_audit_update_record
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2015-02-23 deposited with the CCDC.
2015-03-25 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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omega____ theta____ kappa____ phi______ frames
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  2 omega  -65.00   -6.00   1.0000    2.5000
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  4 omega -124.00  -40.00   1.0000    8.0000
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  5 omega   82.00  121.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega   59.00   85.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
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  7 omega   73.00   98.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
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  8 omega   73.00  111.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000  125.0000 -180.0000 38

  9 omega   73.00   98.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000  125.0000   90.0000 25

 10 omega  -83.00    2.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      -64.0000   50.0000  -90.0000 85

 11 omega   37.00   72.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000 -150.0000 35

 12 omega   45.00  146.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -88.0000 -180.0000 101

 13 omega   39.00   64.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000  150.0000 25

 14 omega   46.00   80.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000 -180.0000 34

 15 omega   40.00   71.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -37.0000  120.0000 31

 16 omega  100.00  149.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   63.0000 -120.0000 49

 17 omega   38.00   64.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000    0.0000 26

 18 omega   40.00   67.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -37.0000  150.0000 27

 19 omega   39.00   71.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -37.0000   90.0000 32

 20 omega   44.00   70.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000  -60.0000 26

 21 omega   43.00  177.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000    0.0000   30.0000 134

 22 omega  -69.00   21.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  -57.0000  150.0000 90

 23 omega  -44.00   73.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   19.0000   90.0000 117

 24 omega -112.00  -18.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -55.0000  125.0000    0.0000 94

 25 omega -125.00  -25.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -55.0000  -77.0000   60.0000 100

 26 omega -124.00  -34.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -55.0000  -57.0000 -150.0000 90

 27 omega -125.00  -25.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -55.0000  -77.0000  -30.0000 100

 28 omega   80.00  178.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   77.0000  120.0000 98

 29 omega   84.00  178.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   37.0000   90.0000 94

 30 omega   38.00   90.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000  120.0000 52

 31 omega   38.00   65.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000   30.0000 27

 32 omega   80.00   84.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   77.0000 -180.0000 4
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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;
_exptl_crystal_colour            yellow
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_exptl_crystal_F_000             2552
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0468P)^2^+7.5086P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7034908--7034910.cif.'
_cod_original_cell_volume        5015.22(14)
_cod_database_code               7034908
_cell_oxdiff_angle_alpha         90.006(2)
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_cell_oxdiff_measurement_reflns_used 22819
_cell_oxdiff_volume              5015.2(2)
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13