A coordinatively unsaturated iridium complex with an unsymmetrical redox-active ligand: (spectro)electrochemical and reactivity studies.
Sobottka, Sebastian; van der Meer, Margarethe Behr; Glais, Estelle; Albold, Uta; Suhr, Simon; Su, Cheng-Yong; Sarkar, Biprajit; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13931–13942; doi:10.1039/c9dt01597c

data_7700483
_publ_section_title
;
 A coordinatively unsaturated iridium complex with an unsymmetrical
 redox-active ligand: (spectro)electrochemical and reactivity studies.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13931
_journal_page_last               13942
_journal_paper_doi               10.1039/c9dt01597c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C22 H25 Ir N2'
_chemical_formula_weight         509.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2019-04-30 deposited with the CCDC.    2019-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.245(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.592
_cell_volume                     1893.55(11)
_computing_cell_refinement       'APEX2 (Bruker, 2012)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
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_computing_structure_solution    'intrinsic phasing'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Venture D8'
_diffrn_measurement_method       'omega + phi scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0376
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_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_l_max       20
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_diffrn_reflns_number            19851
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         28.754
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_exptl_absorpt_coefficient_mu    7.057
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_exptl_absorpt_correction_T_min  0.5678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            orange
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_exptl_crystal_description       block
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_exptl_crystal_size_max          0.21
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_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0229
_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^)+(0.0123P)^2^+2.1572P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0411
_refine_ls_wR_factor_ref         0.0432
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4235
_reflns_number_total             4911
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7700482--7700484.cif.'
_cod_database_code               7700483
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