Crystallography Open Database

Information card for entry 7131734

Preview

Coordinates	7131734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H104 Mg4 N4 O4
Calculated formula	C73 H104 Mg4 N4 O4
Title of publication	A tetranuclear magnesium hydride cluster with a four-coordinate hydride in near square-planar geometry.
Authors of publication	Seifert, Fabian; Görls, Helmar; Kupfer, Stephan; Kretschmer, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	49
Pages of publication	7627 - 7630
a	18.6792 ± 0.0008 Å
b	26.1398 ± 0.0013 Å
c	15.8494 ± 0.0006 Å
α	90°
β	112.9 ± 0.002°
γ	90°
Cell volume	7128.9 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284875 (current)	2023-07-05	cif/ Updating files of 7131734, 7131735 Original log message: Adding full bibliography for 7131734--7131735.cif.	7131734.cif
284099	2023-06-01	cif/ Adding structures of 7131734, 7131735 via cif-deposit CGI script.	7131734.cif