Crystallography Open Database

Information card for entry 1572526

Preview

Coordinates	1572526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 B10 N4 O20
Calculated formula	C16 H28 B10 N4 O20
SMILES	[B]12(OB(OB(O1)O)O)OB(OB(O2)O)O.c1n(Cc2ccc(Cn3c[n+](cc3)C)cc2)cc[n+]1C.[B]12(OB(OB(O1)O)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	9.0501 ± 0.0002 Å
b	9.1652 ± 0.0002 Å
c	9.5476 ± 0.0002 Å
α	104.254 ± 0.002°
β	94.968 ± 0.002°
γ	103.538 ± 0.002°
Cell volume	737.43 ± 0.03 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	0.0326
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
294656 (current)	2024-09-06	cif/ Adding structures of 1572526 via cif-deposit CGI script.	1572526.cif