Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.
Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron; Journal of the American Chemical Society 141 (2019) 8764–8768; doi:10.1021/jacs.9b04085

data_4127606
_publ_section_title
;
 Reductive Trimerization of CO to the Deltate Dianion Using Activated
 Magnesium(I) Compounds.
;
_journal_issue                   22
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8764
_journal_page_last               8768
_journal_paper_doi               10.1021/jacs.9b04085
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C164 H216 Mg4 N12 O6'
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_space_group_name_Hall           '-P 1'
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_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_Laue_measured_fraction_full 0.981
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_diffrn_reflns_point_group_measured_fraction_full 0.981
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_diffrn_reflns_theta_max         68.000
_diffrn_reflns_theta_min         6.325
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.662
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.111
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_exptl_crystal_size_min          0.150
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_refine_diff_density_rms         0.036
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         13614
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_refine_ls_R_factor_all          0.0410
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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^)+(0.0527P)^2^+1.5212P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             13614
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b04085_si_008.cif
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_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.879
_shelx_estimated_absorpt_t_max   0.907
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