Crystallography Open Database

Information card for entry 1516445

Preview

Coordinates	1516445.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CuClMe4
Formula	C96 H112 Cl6 Cu3 N24 O23.6
Calculated formula	C96 H112 Cl6 Cu3 N24 O23.606
Title of publication	Metal Ion and Anion-Based “Tuning” of a Supramolecular Metallogel†
Authors of publication	Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.
Journal of publication	Langmuir
Year of publication	2009
Journal volume	25
Journal issue	15
Pages of publication	8451
a	9.1548 ± 0.0003 Å
b	14.876 ± 0.0005 Å
c	22.3887 ± 0.0007 Å
α	78.557 ± 0.001°
β	84.283 ± 0.002°
γ	81.915 ± 0.001°
Cell volume	2950.64 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1455
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1516445.cif
114869	2014-05-29	cif/ Adding structures of 1516445 via cif-deposit CGI script.	1516445.cif