Crystallography Open Database

Information card for entry 7712191

Preview

Coordinates	7712191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H88 B10 Mg5 N12
Calculated formula	C12 H88 B10 Mg5 N12
Title of publication	Structural insight into the magnesium borohydride - ethylenediamine solid-state Mg-ion electrolyte system.
Authors of publication	Golub, Igor E.; Heere, Michael; Gounaris, Volodia; Li, Xiao; Steenhaut, Timothy; Wang, Jian; Robeyns, Koen; Li, Hai-Wen; Dovgaliuk, Iurii; Ikeda, Kazutaka; Hautier, Geoffroy; Filinchuk, Yaroslav
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	8
Pages of publication	2404 - 2411
a	7.1569 ± 0.001 Å
b	12.192 ± 0.002 Å
c	12.5351 ± 0.0017 Å
α	99.432 ± 0.013°
β	103.986 ± 0.012°
γ	90.464 ± 0.013°
Cell volume	1045.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.166
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.1873
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.798 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283247 (current)	2023-05-05	cif/ Updating files of 7712191, 7712192 Original log message: Adding full bibliography for 7712191--7712192.cif.	7712191.cif
280611	2023-01-26	cif/ Adding structures of 7712191, 7712192 via cif-deposit CGI script.	7712191.cif