Transformation of the hydride-containing dinitrosyl iron complex [(NO)<sub>2</sub>Fe(η<sup>2</sup>-BH<sub>4</sub>)]<sup>-</sup> into [(NO)<sub>2</sub>Fe(η<sup>3</sup>-HCS<sub>2</sub>)]<sup>-</sup>via reaction with CS<sub>2</sub>.
Huang, Huang-Chia; Ching, Wei-Min; Tseng, Yu-Ting; Chen, Chien-Hong; Lu, Tsai-Te; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5897–5902; doi:10.1039/c8dt04714f

data_7048567
_publ_section_title
;
 Transformation of the hydride-containing dinitrosyl iron complex
 [(NO)<sub>2</sub>Fe(\h<sup>2</sup>-BH<sub>4</sub>)]<sup>-</sup> into
 [(NO)<sub>2</sub>Fe(\h<sup>3</sup>-HCS<sub>2</sub>)]<sup>-</sup>via
 reaction with CS<sub>2</sub>.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5897
_journal_page_last               5902
_journal_paper_doi               10.1039/c8dt04714f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C20 H44 B Fe N2 Na O10'
_chemical_formula_weight         562.22
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-11-27 deposited with the CCDC.
2019-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                91.687(2)
_cell_angle_beta                 99.237(2)
_cell_angle_gamma                91.912(3)
_cell_formula_units_Z            4
_cell_length_a                   9.3348(7)
_cell_length_b                   17.2988(12)
_cell_length_c                   18.2151(13)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.52
_cell_volume                     2899.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26468
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.212
_exptl_absorpt_coefficient_mu    0.584
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            orange
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_exptl_crystal_description       block
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_refine_diff_density_max         0.811
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_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     711
_refine_ls_number_reflns         13293
_refine_ls_number_restraints     89
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.1094
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0051P)^2^+16.8908P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2181
_refine_ls_wR_factor_ref         0.2214
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11873
_reflns_number_total             13293
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04714f2.cif
_cod_data_source_block           ic19224
_cod_depositor_comments
'Adding full bibliography for 7048567--7048568.cif.'
_cod_database_code               7048567
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.846
_shelx_estimated_absorpt_t_max   0.954
_shelx_res_checksum              96572