Crystallography Open Database

Information card for entry 7062966

Preview

Coordinates	7062966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 H16 Zr
Calculated formula	B4 H16 Zr
Title of publication	Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
Authors of publication	Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	6
Pages of publication	2743 - 2754
a	5.955 ± 0.011 Å
b	5.955 ± 0.011 Å
c	5.955 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	211.2 ± 0.7 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	215
Hermann-Mauguin space group symbol	P -4 3 m
Hall space group symbol	P -4 2 3
Residual factor for all reflections	0.0114
Residual factor for significantly intense reflections	0.0114
Weighted residual factors for significantly intense reflections	0.0272
Weighted residual factors for all reflections included in the refinement	0.0272
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
290238 (current)	2024-03-04	cif/ Updating files of 7062966, 7062967 Original log message: Adding full bibliography for 7062966--7062967.cif.	7062966.cif
289068	2024-01-13	cif/ Adding structures of 7062966, 7062967 via cif-deposit CGI script.	7062966.cif