On the existence of low-valent magnesium-calcium complexes.
Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd; Chemical science 14 (2023) 4724–4734; doi:10.1039/d3sc00909b

data_1568864
_publ_section_title
;
 On the existence of low-valent magnesium-calcium complexes.
;
_journal_issue                   18
_journal_name_full               'Chemical science'
_journal_page_first              4724
_journal_page_last               4734
_journal_paper_doi               10.1039/d3sc00909b
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C92.85 H135.3 Ca2 N4'
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_audit_update_record
;
2023-02-08 deposited with the CCDC.	2023-04-13 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_diffrn_ambient_temperature      100(2)
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_theta_max         72.910
_diffrn_reflns_theta_min         3.266
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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^)+(0.0455P)^2^+15.8130P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3sc00909b2.cif
_cod_data_source_block           hasj210311a
_cod_depositor_comments
'Adding full bibliography for 1568860--1568864.cif.'
_cod_original_cell_volume        16589.3(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C92.85 H135.30 Ca2 N4'
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_shelx_shelxl_version_number     2019/2
_shelx_estimated_absorpt_t_min   0.723
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_shelx_res_checksum              94615
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