Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported iron catalyst.
Bielinski, Elizabeth A.; Lagaditis, Paraskevi O.; Zhang, Yuanyuan; Mercado, Brandon Q.; Würtele, Christian; Bernskoetter, Wesley H.; Hazari, Nilay; Schneider, Sven; Journal of the American Chemical Society 136 (2014) 10234–10237; doi:10.1021/ja505241x

data_4122219
_publ_section_title
;
 Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported
 iron catalyst.
;
_journal_issue                   29
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10234
_journal_page_last               10237
_journal_paper_doi               10.1021/ja505241x
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C17 H37 Fe N O P2'
_chemical_formula_weight         389.26
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_measurement_temperature    100(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0773
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         1.541
_diffrn_source                   'INCOATEC Ag Microsource'
_exptl_absorpt_coefficient_mu    0.470
_exptl_absorpt_correction_T_max  0.7447
_exptl_absorpt_correction_T_min  0.6298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
_exptl_crystal_colour            red
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_exptl_crystal_description       plate
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_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0298
_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^)+(0.0327P)^2^+1.1005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
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_reflns_number_total             5131
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           '_Compound1a'
_cod_depositor_comments
'Adding full bibliography for 4122219--4122220.cif.'
_cod_database_code               4122219
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_shelx_hkl_checksum              85890