Crystallography Open Database

Information card for entry 7047881

Preview

Coordinates	7047881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H33 Br Cu P3
Calculated formula	C15 H33 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	13.448 ± 0.0003 Å
b	10.6233 ± 0.0003 Å
c	13.7607 ± 0.0005 Å
α	90°
β	92.123 ± 0.003°
γ	90°
Cell volume	1964.53 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7047881.cif
211644	2018-10-26	cif/ Adding structures of 7047878, 7047879, 7047880, 7047881, 7047882, 7047883, 7047884 via cif-deposit CGI script.	7047881.cif