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_7117417
_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         'C19 H22 N3 O Pt, F6 P'
_chemical_formula_sum            'C19 H22 F6 N3 O P Pt'
_chemical_formula_weight         648.45
_chemical_name_common            3
_chemical_name_systematic        3
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -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.
;
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_computing_cell_refinement
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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)
;
_computing_data_collection
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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)
(compiled May 21 2014,18:02:45)
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_diffrn_measurement_details
;
  1 omega  -50.00   33.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega    1.00   82.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega   24.00  109.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  4 omega   42.00  120.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  5 omega   30.00   81.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega   87.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  7 omega   96.00  168.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  8 omega   87.00  173.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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  9 omega   32.00  134.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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 10 omega   30.00   89.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      103.5913  -30.0000   90.0000 59

 11 omega -107.00  -16.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -57.0000  -90.0000 91
;
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_orient_matrix_UB_11      0.1510005000
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_diffrn_orient_matrix_UB_33      0.1177022000
_diffrn_radiation_monochromator  mirror
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_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
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_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_limit_h_max       10
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_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
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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)
Numerical absorption correction based on gaussian integration over
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            white
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_exptl_crystal_description       needle
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_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.0002
_refine_ls_shift/su_mean         0.0000
_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'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0755
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              10
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_reflns_limit_k_min              -11
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                3878
_reflns_number_total             4066
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c5cc04003e2.cif
_cod_data_source_block           MC35
_cod_original_cell_volume        1076.32(9)
_cod_database_code               7117417
_chemical_oxdiff_formula         'C18 H23 Pt N3 O PF6'
_reflns_odcompleteness_completeness 98.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'