Crystallography Open Database

Information card for entry 4314112

Preview

Coordinates	4314112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H66 Cl6 Cu6 N12 O45
Calculated formula	C48 H48 Cl5.99 Cu6 N12 O44.96
Title of publication	Nature of the Reactants and Influence of Water on the Supramolecular Assembly
Authors of publication	Xiaobai Wang; Jagadese J. Vittal
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	5135 - 5142
a	13.7507 ± 0.0007 Å
b	13.7507 ± 0.0007 Å
c	74.763 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	12242.4 ± 1.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.2548
Weighted residual factors for all reflections included in the refinement	0.2719
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4314112.html