Crystallography Open Database

Information card for entry 7248507

Preview

Coordinates	7248507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Br P
Calculated formula	C8 H20 Br P
SMILES	[Br-].C(C)[P+](CC)(CC)CC
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	14.5323 ± 0.0006 Å
b	14.5323 ± 0.0006 Å
c	28.7233 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	5253.3 ± 0.4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for all reflections	0.0744
Weighted residual factors for significantly intense reflections	0.0736
Goodness-of-fit parameter for all reflections	3.8867
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.	7248507.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.	7248507.cif