Remote Control by π-Conjugation of the Emissive Properties of Fischer Carbene-BODIPY Dyads.
Chu, Gong M.; Guerrero-Martínez, Andrés; Ramírez de Arellano, Carmen; Fernández, Israel; Sierra, Miguel A.; Inorganic chemistry 55 (2016) 2737–2747; doi:10.1021/acs.inorgchem.5b02448

data_4346961
_publ_section_title
;
 Remote Control by \p-Conjugation of the Emissive Properties of Fischer
 Carbene-BODIPY Dyads.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2737
_journal_page_last               2747
_journal_paper_doi               10.1021/acs.inorgchem.5b02448
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C35 H30 B F2 N3 O6 W'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                78.12(3)
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_cell_formula_units_Z            4
_cell_length_a                   9.6685(19)
_cell_length_b                   16.122(3)
_cell_length_c                   22.139(4)
_cell_measurement_reflns_used    19282
_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      0.998
_cell_volume                     3350.7(12)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
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_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0183
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_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_k_max       22
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_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            38333
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
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_diffrn_reflns_theta_min         1.291
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.508
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   DENZO&SCALEPACK-Otwinowski&Minor-1997
_exptl_crystal_colour            orange
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_exptl_crystal_description       prism
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_exptl_crystal_size_min          0.12
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_refine_diff_density_min         -1.514
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         19606
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.172
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0213
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0394P)^2^+1.0525P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0623
_refine_ls_wR_factor_ref         0.0728
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17420
_reflns_number_total             19606
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           gm957a
_cod_original_cell_volume        3350.8(12)
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