Crystallography Open Database

Information card for entry 7248509

Preview

Coordinates	7248509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Br P
Calculated formula	C4 H12 Br P
Title of publication	Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
Authors of publication	Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	20
Pages of publication	2673 - 2682
a	7.02188 ± 0.00005 Å
b	7.02188 ± 0.00005 Å
c	10.03217 ± 0.00012 Å
α	90°
β	90°
γ	120°
Cell volume	428.383 ± 0.007 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0172
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for all reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0191
Goodness-of-fit parameter for all reflections	1.6492
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.78892 Å
Diffraction radiation type	CoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292968 (current)	2024-07-05	cif/ Updating files of 7248499, 7248500, 7248501, 7248502, 7248503, 7248504, 7248505, 7248506, 7248507, 7248508, 7248509 Original log message: Adding full bibliography for 7248499--7248509.cif.	7248509.cif
291322	2024-04-23	cif/ Adding structures of 7248499, 7248500, 7248501, 7248502, 7248503, 7248504, 7248505, 7248506, 7248507, 7248508, 7248509 via cif-deposit CGI script.	7248509.cif