Crystallography Open Database

Information card for entry 7235237

Preview

Coordinates	7235237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 B2 D24 Mg O3
Calculated formula	C12 H8 B2 D24 Mg O3
Title of publication	Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.
Authors of publication	Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2019
Journal volume	22
Journal issue	1
Pages of publication	368 - 378
a	11.9604 ± 0.0012 Å
b	12.4903 ± 0.0014 Å
c	19.9494 ± 0.0023 Å
α	90°
β	144.456 ± 0.0031°
γ	90°
Cell volume	1732.5 ± 0.4 Å³
Cell temperature	225 K
Ambient diffraction temperature	225 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
RFsqd	0.08542
Goodness-of-fit parameter for all reflections	1.22
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.5397 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247834 (current)	2020-02-04	cif/ Updating files of 7235237, 7235238 Original log message: Adding full bibliography for 7235237--7235238.cif.	7235237.cif
231115	2019-11-21	cif/ Adding structures of 7235237, 7235238 via cif-deposit CGI script.	7235237.cif