Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.
Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.; Chemical science 15 (2024) 11807–11813; doi:10.1039/d4sc02638a

data_1571991
_publ_section_title
;
 Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium
 hydride cluster.
;
_journal_issue                   30
_journal_name_full               'Chemical science'
_journal_page_first              11807
_journal_page_last               11813
_journal_paper_doi               10.1039/d4sc02638a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C88 H118 Mg4 N10 O2, 4(C4 H10 O)'
_chemical_formula_sum            'C104 H158 Mg4 N10 O6'
_chemical_formula_weight         1741.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-01-26 deposited with the CCDC.	2024-06-24 downloaded from the CCDC.
;
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_computing_cell_refinement       'CrysAlisPro, Rigaku OD'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measurement_device_type  'Agilent Xcalibur PX Ultra A'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 1.000
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; 
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.121
_exptl_crystal_description       blocks
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_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^)+(0.1041P)^2^+11.1479P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1694
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc02638a3.cif
_cod_data_source_block           3_2
_cod_depositor_comments
'Adding full bibliography for 1571986--1571991.cif.'
_cod_original_cell_volume        10315.55(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1571991
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              60718
_shelx_hkl_checksum              7275