Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.
Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.; Inorganic chemistry 60 (2021) 6115–6124; doi:10.1021/acs.inorgchem.0c03778

data_4350795
_publ_section_title
;
 Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in
 a Rhenium Pincer System.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6115
_journal_page_last               6124
_journal_paper_doi               10.1021/acs.inorgchem.0c03778
_journal_volume                  60
_journal_year                    2021
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_diffrn_measured_fraction_theta_full 0.999
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_diffrn_measurement_device_type  'Rigaku Saturn 944+ CCD'
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_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.39.16b (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Orange
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0287P)^2^+7.2915P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_Friedel_coverage         0.000
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_reflns_number_total             2252
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        5055.28(15)
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.365
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_shelx_res_checksum              44860
_shelx_hkl_checksum              78018