Crystallography Open Database

Information card for entry 1572527

Preview

Coordinates	1572527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H42 B10 N2 O20
Calculated formula	C16 H42 B10 N2 O20
SMILES	[N+]1(CCCC1)(CCCCCC[N+]1(CCCC1)C)C.O1[B]2(OB(OB1O)O)OB(OB(O2)O)O.O1[B]2(OB(OB1O)O)OB(OB(O2)O)O
Title of publication	Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies
Authors of publication	Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.
Journal of publication	Inorganics
Year of publication	2024
Journal volume	12
Journal issue	8
Pages of publication	220
a	9.0534 ± 0.0001 Å
b	11.9367 ± 0.0002 Å
c	14.5824 ± 0.0002 Å
α	94.195 ± 0.001°
β	104.156 ± 0.001°
γ	94.855 ± 0.001°
Cell volume	1515.35 ± 0.04 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	0.0337
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294657 (current)	2024-09-06	cif/ Adding structures of 1572527 via cif-deposit CGI script.	1572527.cif