Characterization of the Initial Intermediate Formed during Photoinduced Oxygenation of the Ruthenium(II) Bis(bipyridyl)flavonolate Complex.
Han, Xiaozhen; Klausmeyer, Kevin K.; Farmer, Patrick J.; Inorganic chemistry 55 (2016) 7320–7322; doi:10.1021/acs.inorgchem.6b00852

data_4348015
_publ_section_title
;
 Characterization of the Initial Intermediate Formed during Photoinduced
 Oxygenation of the Ruthenium(II) Bis(bipyridyl)flavonolate Complex.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7320
_journal_page_last               7322
_journal_paper_doi               10.1021/acs.inorgchem.6b00852
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C35 H25 B F4 N4 O3 Ru'
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_audit_creation_method           SHELXL-2013
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_cell_angle_gamma                105.152(2)
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_cell_length_b                   13.3868(7)
_cell_length_c                   13.8876(7)
_cell_measurement_reflns_used    9965
_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.29
_cell_volume                     1992.19(18)
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_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
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_diffrn_reflns_limit_k_max       16
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         26.390
_diffrn_reflns_theta_min         2.286
_exptl_absorpt_coefficient_mu    0.446
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_correction_T_min  0.835
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_description       Block
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_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.238
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_platon_squeeze_details          ' '
_refine_diff_density_max         2.450
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8147
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_refine_ls_R_factor_all          0.0710
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+5.5481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1745
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.901
_shelx_estimated_absorpt_t_max   0.946
_shelxl_version_number           2013-4
_shelx_res_checksum              29735
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