Catalyst-free insertion of carbon monoxide into terminal Mg-C(sp3) bonds
Kubisz, Malte; Hadlington, Terrance John; Fernandez, Israel; Chemical Communications  (2026) –; doi:10.1039/D6CC00736H

data_7135600
_publ_section_title
;
 Catalyst-free insertion of carbon monoxide into terminal
 Mg-C(sp<sup>3</sup>) bonds.
;
_journal_issue                   29
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7519
_journal_page_last               7523
_journal_paper_doi               10.1039/d6cc00736h
_journal_volume                  62
_journal_year                    2026
_chemical_formula_moiety         'C72 H128 Mg2 N2 O2 P2 Si2, 2(C6 H6)'
_chemical_formula_sum            'C84 H140 Mg2 N2 O2 P2 Si2'
_chemical_formula_weight         1376.71
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2026-02-03 deposited with the CCDC.	2026-03-09 downloaded from the CCDC.
;
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;
X-Area Recipe 2.0.2 (STOE, 2024)
;
_computing_data_collection
;
X-Area Pilatus3_SV 1.31.194.0 (STOE, 2023)
;
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;
X-Area Integrate 2.5.18.0 (STOE, 2024)
X-Area LANA 2.8.4 (STOE, 2024)
;
_computing_publication_material
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 2.4, Darmstadt 2024
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270. Afterwards scaling of
reflection intensities was performed within STOE LANA. J. Koziskova, F. Hahn,
J. Richter, J. Kozisek, Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136-140.
;
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'w=1/[\s^2^(Fo^2^)+(0.0644P)^2^+3.3659P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             16403
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6cc00736h2.cif
_cod_data_source_block           6_Cy
_cod_depositor_comments
'Adding full bibliography for 7135594--7135603.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7135600
_shelx_shelxl_version_number     2018/3
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