Tuning and Switching MLCT Phosphorescence of [Ru(bpy)3]2+ Complexes with Triarylboranes and Anions
Yi Sun; Zachary M. Hudson; Yingli Rao; Suning Wang; Inorganic Chemistry 50 (2011) 3373–3378; doi:10.1021/ic1021966

data_4324851
_publ_section_title
;
 Tuning and Switching MLCT Phosphorescence of [Ru(bpy)3]2+ Complexes with
 Triarylboranes and Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3373
_journal_page_last               3378
_journal_paper_doi               10.1021/ic1021966
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C82 H82 B2 F12 N6 O2 P2 Ru'
_chemical_formula_weight         1596.17
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_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 96.2030(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2838(10)
_cell_length_b                   15.6816(12)
_cell_length_c                   42.327(3)
_cell_measurement_reflns_used    5403
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      19.38
_cell_measurement_theta_min      2.21
_cell_volume                     8105.7(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1186
_diffrn_reflns_av_sigmaI/netI    0.1036
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
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_diffrn_reflns_limit_l_min       -52
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_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
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_exptl_absorpt_coefficient_mu    0.309
_exptl_absorpt_correction_T_max  0.9847
_exptl_absorpt_correction_T_min  0.9407
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            translucent
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_description       block
_exptl_crystal_F_000             3296
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_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.631
_refine_diff_density_min         -0.497
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1274
_refine_ls_R_factor_gt           0.0719
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0850P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1602
_refine_ls_wR_factor_ref         0.1827
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1021966_si_001.cif
_cod_data_source_block           sun12
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_cod_database_code               4324851