Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)–α-keto acid complex
Sheet, Debobrata; Paine, Tapan Kanti; Chem. Sci. 7 (2016) 5322–; doi:10.1039/C6SC01476C

data_1543316
_publ_section_title
;
 Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by
 a nonheme iron(ii)--\a-keto acid complex
;
_journal_issue                   8
_journal_name_full               'Chem. Sci.'
_journal_page_first              5322
_journal_paper_doi               10.1039/C6SC01476C
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C47 H42 B Fe N8 O2'
_chemical_formula_weight         817.54
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-04-27 deposited with the CCDC.
2016-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                67.2510(10)
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_cell_angle_gamma                79.5910(10)
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_cell_length_c                   16.0016(7)
_cell_measurement_temperature    296(2)
_cell_volume                     2279.31(18)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
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_exptl_absorpt_coefficient_mu    0.376
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0803P)^2^+0.3114P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6sc01476c2.cif
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_cod_depositor_comments
'Adding full bibliography for 1543315--1543316.cif.'
_cod_database_code               1543316
_shelx_estimated_absorpt_t_min   0.946
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