Crystallography Open Database

Information card for entry 4508805

Preview

Coordinates	4508805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H29 Cu N Na O14
Calculated formula	C11 H29 Cu N Na O14
Title of publication	An Aqua-Soluble Copper(II)−Sodium Two-Dimensional Coordination Polymer with Intercalated Infinite Chains of Decameric Water Clusters
Authors of publication	Karabach, Yauhen Yu.; Kirillov, Alexander M.; da Silva, M. Fátima C. Guedes; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	10
Pages of publication	2200
a	9.3604 ± 0.0011 Å
b	10.8601 ± 0.0009 Å
c	11.3165 ± 0.0011 Å
α	63.858 ± 0.008°
β	74.334 ± 0.009°
γ	82.932 ± 0.009°
Cell volume	994.33 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179624 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/88.	4508805.cif
96940	2014-01-29	cif/ Adding structures of 4508805 via cif-deposit CGI script.	4508805.cif