Crystallography Open Database

Information card for entry 7126809

Preview

Coordinates	7126809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H238 N10 Si4 Sr10
Calculated formula	C116 H230 N10 Si4 Sr10
Title of publication	Large decanuclear calcium and strontium hydride clusters.
Authors of publication	Martin, Johannes; Eyselein, Jonathan; Langer, Jens; Elsen, Holger; Harder, Sjoerd
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	64
Pages of publication	9178 - 9181
a	15.0995 ± 0.0003 Å
b	18.8526 ± 0.0003 Å
c	28.8886 ± 0.0005 Å
α	100.413 ± 0.0014°
β	91.1677 ± 0.0013°
γ	110.944 ± 0.0015°
Cell volume	7521.3 ± 0.2 Å³
Cell temperature	240 ± 0.1 K
Ambient diffraction temperature	240 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
255967 (current)	2020-09-06	cif/ Updating files of 7126808, 7126809 Original log message: Adding full bibliography for 7126808--7126809.cif.	7126809.cif
253679	2020-07-03	cif/ Adding structures of 7126808, 7126809 via cif-deposit CGI script.	7126809.cif