Turning on solid-state phosphorescence of platinum acetylides with aromatic stacking.
Mullin, William J.; Qin, Huan; Mani, Tomoyasu; Müller, Peter; Panzer, Matthew J.; Thomas, Samuel W.; Chemical communications (Cambridge, England) 56 (2020) 6854–6857; doi:10.1039/d0cc02119a

data_7126572
_publ_section_title
;
 Turning on solid-state phosphorescence of platinum acetylides with
 aromatic stacking.
;
_journal_issue                   50
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6854
_journal_page_last               6857
_journal_paper_doi               10.1039/d0cc02119a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C72 H74 F10 O4 P2 Pt'
_chemical_formula_weight         1450.34
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_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-11-25 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.350(2)
_cell_angle_gamma                90
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_cell_measurement_temperature    100(2)
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_cell_volume                     3258.8(4)
_computing_cell_refinement       'SAINT 7.46A (Bruker-AXS, 2011)'
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_diffrn_detector_area_resol_mean 10.4
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_diffrn_measurement_device_type  'Bruker Photon 100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            orange
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0406P)^2^+6.7028P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1227
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10074
_reflns_number_total             11730
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc02119a2.cif
_cod_data_source_block           WM02110
_cod_depositor_comments
'Adding full bibliography for 7126570--7126573.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7126572
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.726
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