Crystallography Open Database

Information card for entry 7123714

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Structure parameters

Formula	B5 H8 N O10
Calculated formula	B5 H8 N O10
Title of publication	A Novel Ammonium Pentaborate – Poly(ethylene-glycol) Templated Polymer-Inclusion Compound
Authors of publication	Ploszajski, Anna Rebecca; Billing, Matthew; Skipper, Neal; Cockcroft, Jeremy Karl
Journal of publication	Chemical Communications
Year of publication	2019
a	9.2922 ± 0.0002 Å
b	17.3394 ± 0.0005 Å
c	16.3648 ± 0.0005 Å
α	90°
β	91.234 ± 0.002°
γ	90°
Cell volume	2636.1 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7123714.cif
216484	2019-06-22	cif/ Adding structures of 7123714 via cif-deposit CGI script.	7123714.cif