Catalytic dinitrogen reduction to hydrazine and ammonia using Cr(N<sub>2</sub>)<sub>2</sub>(diphosphine)<sub>2</sub> complexes.
Beasley, Charles H.; Duletski, Olivia L.; Stankevich, Ksenia S.; Arulsamy, Navamoney; Mock, Michael T.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 6496–6500; doi:10.1039/d4dt00702f

data_7715561
_publ_section_title
;
 Catalytic dinitrogen reduction to hydrazine and ammonia using
 Cr(N<sub>2</sub>)<sub>2</sub>(diphosphine)<sub>2</sub> complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6496
_journal_page_last               6500
_journal_paper_doi               10.1039/d4dt00702f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C20 H48 Cr N4 P4'
_chemical_formula_sum            'C20 H48 Cr N4 P4'
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_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2024-02-03 deposited with the CCDC.	2024-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                104.253(2)
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_cell_measurement_theta_min      2.91
_cell_volume                     1334.90(11)
_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_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_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         33.728
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_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.6736
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker APEX2'
_exptl_crystal_colour            red
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_exptl_crystal_size_mid          0.437
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10628
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0290
_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^)+(0.0299P)^2^+0.8434P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0736
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9575
_reflns_number_total             10628
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00702f2.cif
_cod_data_source_block           mm074
_cod_depositor_comments
'Adding full bibliography for 7715561--7715562.cif.'
_cod_database_code               7715561
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.708
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_shelx_res_checksum              97145