Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy
Kumar, Abhishek; Semwal, Shrivats; Choudhury, Joyanta; ACS Catalysis 9 (2019) 2164–; doi:10.1021/acscatal.8b04430

data_4514860
_publ_section_title
;
 Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An
 Ambient-Pressure and H2-Independent Strategy
;
_journal_issue                   3
_journal_name_full               'ACS Catalysis'
_journal_page_first              2164
_journal_paper_doi               10.1021/acscatal.8b04430
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C22 H25 I N2 O2 Ru'
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_cell_measurement_temperature    140(2)
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_cell_measurement_theta_min      2.34
_cell_volume                     1059.80(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19596
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.877
_diffrn_reflns_theta_min         2.340
_exptl_absorpt_coefficient_mu    2.216
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             568
_refine_diff_density_max         0.537
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.0460
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.1080
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4049
_reflns_number_total             5045
_reflns_threshold_expression     'I > 2\s(I)'
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