Crystallography Open Database

Information card for entry 7702493

Preview

Coordinates	7702493.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Complex 18
Formula	C26 H36 Cu2 N6 O11 S4
Calculated formula	C26 H34 Cu2 N6 O11 S4
Title of publication	Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †
Authors of publication	Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	5
Pages of publication	736
a	9.1541 ± 0.0014 Å
b	13.264 ± 0.002 Å
c	14.255 ± 0.004 Å
α	90°
β	95.24 ± 0.02°
γ	90°
Cell volume	1723.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0787
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for all reflections	0.1176
Weighted residual factors for significantly intense reflections	0.0976
Goodness-of-fit parameter for all reflections	1.048
Goodness-of-fit parameter for significantly intense reflections	1.091
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243881 (current)	2019-11-28	cif/ Adding structures of 7702488, 7702489, 7702490, 7702491, 7702492, 7702493, 7702494 via cif-deposit CGI script.	7702493.cif