Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study
Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.; Organometallics 32 (2013) 1620–; doi:10.1021/om300904b

data_4080162
_publ_section_title
;
 Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of
 5,12-Diethynyltetracene: A Spectroscopic and Computational Study
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1620
_journal_paper_doi               10.1021/om300904b
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C58 H80 P4 Pt2 S2'
_chemical_formula_weight         1355.40
_chemical_name_common            4
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_cell_angle_beta                 109.035(3)
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_cell_formula_units_Z            2
_cell_length_a                   9.2161(11)
_cell_length_b                   25.684(3)
_cell_length_c                   12.9507(15)
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_cell_measurement_temperature    100(2)
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_computing_cell_refinement       'Bruker SMART'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type  'CCD area detector'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_meas      ?
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_exptl_crystal_description       Rod
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0618P)^2^+20.2446P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            om300904b_si_001.cif
_cod_data_source_block           9317
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'Not Measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4080162