Homolytic N-H activation of ammonia: hydrogen transfer of parent iridium ammine, amide, imide, and nitride species.
Scheibel, Markus G.; Abbenseth, Josh; Kinauer, Markus; Heinemann, Frank W.; Würtele, Christian; de Bruin, Bas; Schneider, Sven; Inorganic chemistry 54 (2015) 9290–9302; doi:10.1021/acs.inorgchem.5b00829

data_4346191
_publ_section_title
;
 Homolytic N-H activation of ammonia: hydrogen transfer of parent iridium
 ammine, amide, imide, and nitride species.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9290
_journal_page_last               9302
_journal_paper_doi               10.1021/acs.inorgchem.5b00829
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C20 H42 F6 Ir N2 P2 Sb'
_chemical_formula_weight         800.44
_space_group_crystal_system      monoclinic
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_cell_length_c                   12.879(3)
_cell_measurement_reflns_used    9930
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_cell_measurement_theta_min      2.29
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_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           AgK\a
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_theta_min         1.135
_diffrn_source                   'INCOATEC Ag Microsource'
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_exptl_absorpt_correction_T_max  0.7445
_exptl_absorpt_correction_T_min  0.6256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.928
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0205
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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^)+(0.0069P)^2^+5.5522P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0351
_refine_ls_wR_factor_ref         0.0358
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_reflns_number_gt                5666
_reflns_number_total             5961
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        2757.0(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4346191
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_shelx_res_checksum              18310
_shelx_hkl_checksum              79085