Carbon-Nitrogen and Nitrogen-Nitrogen Bond Formation from Nucleophilic Attack at Coordinated Nitrosyls in Fe and Ru Heme Models.
Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B; Journal of the American Chemical Society 139 (2017) 9495–9498; doi:10.1021/jacs.7b05209

data_4131423
_publ_section_title
;
 Carbon-Nitrogen and Nitrogen-Nitrogen Bond Formation from Nucleophilic
 Attack at Coordinated Nitrosyls in Fe and Ru Heme Models.
;
_journal_issue                   28
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9495
_journal_page_last               9498
_journal_paper_doi               10.1021/jacs.7b05209
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C46 H55 N7 O Ru, C6 H14'
_chemical_formula_sum            'C52 H69 N7 O Ru'
_chemical_formula_weight         909.21
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.818
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_refine_ls_R_factor_all          0.0635
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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^)+(0.0600P)^2^+0.8600P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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