Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications
Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts; Chem.Commun. 51 (2015) 11441–; doi:10.1039/C5cc04003E

data_7117416
_publ_section_title
;
 Platinum trimethyl bipyridyl thiolates -- new, tunable, red- to near IR
 emitting luminophores for bioimaging applications
;
_journal_name_full               Chem.Commun.
_journal_page_first              11441
_journal_paper_doi               10.1039/C5cc04003E
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C18 H22 N3 Pt, F6 P'
_chemical_formula_sum            'C18 H22 F6 N3 P Pt'
_chemical_formula_weight         620.44
_chemical_name_common            2
_chemical_name_systematic        2
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     iterative
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Olex2 1.2
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2015-01-23 deposited with the CCDC.
2015-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   15.9712(3)
_cell_measurement_reflns_used    5527
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33e (release 21-05-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33e (release 21-05-2014 CrysAlis171 .NET)
(compiled May 21 2014,18:02:45)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33e (release 21-05-2014 CrysAlis171 .NET)
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  1 omega  -49.00   16.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000  -90.0000 65

  2 omega -101.00   -7.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega   78.00  167.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913   61.0000 -180.0000 89

  4 omega  111.00  160.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  5 omega   88.00  169.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega  121.00  171.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  7 omega   84.00  110.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  8 omega   38.00   96.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913  -45.0000   30.0000 58
;
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_reflns_theta_min         4.06
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    13.782
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CrysAlisPro, Agilent Technologies,
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(compiled May 21 2014,18:02:45)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.9607
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_refine_ls_shift/su_mean         0.0006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_limit_l_min              0
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_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c5cc04003e2.cif
_cod_data_source_block           exp_322
_cod_original_cell_volume        2101.68(7)
_cod_database_code               7117416
_chemical_oxdiff_formula         'C20 H20 Pt N3 P F6'
_reflns_odcompleteness_completeness 98.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'