Directing energy transfer in Pt(bodipy)(mercaptopyrene) dyads.
Irmler, Peter; Gogesch, Franciska S.; Mang, André; Bodensteiner, Michael; Larsen, Christopher B.; Wenger, Oliver S.; Winter, Rainer F.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 11690–11705; doi:10.1039/c9dt01737b

data_7700357
_publ_section_title
;
 Directing energy transfer in Pt(bodipy)(mercaptopyrene) dyads.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11690
_journal_page_last               11705
_journal_paper_doi               10.1039/c9dt01737b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C29 H52 B F2 I N2 P2 Pt'
_chemical_formula_sum            'C29 H52 B F2 I N2 P2 Pt'
_chemical_formula_weight         861.46
_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'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-04-09 deposited with the CCDC.    2019-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    100(2)
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_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
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_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
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_diffrn_reflns_av_R_equivalents  0.1765
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_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         27.200
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_exptl_absorpt_coefficient_mu    5.225
_exptl_absorpt_correction_T_max  0.5704
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_exptl_absorpt_correction_type   integration
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_exptl_crystal_colour            orange
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_refine_diff_density_min         -2.783
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0724P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1153
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6579
_reflns_number_total             7480
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01737b2.cif
_cod_data_source_block           pibw30
_cod_depositor_comments
'Adding full bibliography for 7700356--7700357.cif.'
_cod_database_code               7700357
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              7914