Crystallography Open Database

Information card for entry 7126808

Preview

Coordinates	7126808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H214 Ca10 N10 Si4
Calculated formula	C102 H214 Ca10 N10 Si4
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	46.5535 ± 0.0003 Å
b	46.5535 ± 0.0003 Å
c	18.2299 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	34215.2 ± 0.5 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7126808.cif
253679	2020-07-03	cif/ Adding structures of 7126808, 7126809 via cif-deposit CGI script.	7126808.cif