Crystallography Open Database

Information card for entry 4001958

4001957 << 4001958 >> 4001959

Preview

Coordinates	4001958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Ca53 H23 In13
Calculated formula	B2.32 Ca52.668 H24.68 In13
Title of publication	Ca54In13B4‒xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions
Authors of publication	Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	10
Pages of publication	3202
a	16.3608 ± 0.0006 Å
b	16.3608 ± 0.0006 Å
c	16.3608 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4379.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0171
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.0417
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4001958.html