Crystallography Open Database

Information card for entry 7047879

Preview

Coordinates	7047879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H39 Br Cu P3
Calculated formula	C18 H39 Br Cu P3
Title of publication	Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.
Authors of publication	Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	45
Pages of publication	16126 - 16131
a	10.16 ± 0.0002 Å
b	15.919 ± 0.0004 Å
c	14.156 ± 0.0004 Å
α	90°
β	91.038 ± 0.001°
γ	90°
Cell volume	2289.17 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0521
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229955 (current)	2019-11-17	cif/ Updating files of 7047878, 7047879, 7047880, 7047881, 7047882, 7047883, 7047884 Original log message: Adding full bibliography for 7047878--7047884.cif.	7047879.cif
211644	2018-10-26	cif/ Adding structures of 7047878, 7047879, 7047880, 7047881, 7047882, 7047883, 7047884 via cif-deposit CGI script.	7047879.cif