Crystallography Open Database

Information card for entry 8106874

Preview

Coordinates	8106874.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(ethyltriphenylphosphonium) tetrabromidocuprate(II)
Chemical name	bis(ethyltriphenylphosphonium) tetrabromidocuprate(II)
Formula	C40 H40 Br4 Cu P2
Calculated formula	C40 H40 Br4 Cu P2
SMILES	Br[Cu](Br)([Br-])[Br-].[P+](CC)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](CC)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocuprate(II), (C20H20P)2[CuBr4]
Authors of publication	Hosten, Eric C.; Betz, Richard
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	355 - 359
a	24.6469 ± 0.0009 Å
b	12.4301 ± 0.0005 Å
c	25.5369 ± 0.0009 Å
α	90°
β	91.016 ± 0.002°
γ	90°
Cell volume	7822.3 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1326
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1806
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281731 (current)	2023-03-08	cif/ Adding structures of 8106874 via cif-deposit CGI script.	8106874.cif