Crystallography Open Database

Information card for entry 1514624

Preview

Structure parameters

Formula	C73 H106 Mg2 N4 O4
Calculated formula	C73 H106 Mg2 N4 O4
Title of publication	The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Authors of publication	Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	12
Pages of publication	4383
a	12.749 ± 0.003 Å
b	14.372 ± 0.003 Å
c	18.802 ± 0.004 Å
α	90°
β	95.03 ± 0.03°
γ	90°
Cell volume	3431.8 ± 1.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.2112
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1514624.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514624.cif
110202	2014-04-18	cif/ Adding structures of 1514619, 1514620, 1514621, 1514622, 1514623, 1514624, 1514625, 1514626, 1514627 via cif-deposit CGI script.	1514624.cif