Crystallography Open Database

Information card for entry 7231072

Preview

Coordinates	7231072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 B N O5
Calculated formula	C10 H26 B N O5
Title of publication	Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential
Authors of publication	Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	31
Pages of publication	4436
a	8.42518 ± 0.00012 Å
b	8.39871 ± 0.00016 Å
c	20.2469 ± 0.0003 Å
α	90°
β	91.5852 ± 0.0013°
γ	90°
Cell volume	1432.14 ± 0.04 Å³
Cell temperature	150.04 ± 0.1 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1684
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229085 (current)	2019-11-17	cif/ Updating files of 7231072, 7231073 Original log message: Adding full bibliography for 7231072--7231073.cif.	7231072.cif
208811	2018-07-04	cif/ Adding structures of 7231072, 7231073 via cif-deposit CGI script.	7231072.cif