Crystallography Open Database

Information card for entry 7108623

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Structure parameters

Formula	C108 H314 Cu18 N30 O124 S20
Calculated formula	C108 H314 Cu18 N30 O124 S20
Title of publication	A six-bladed impeller-like Cu18 nanocluster with S6 symmetry constructed from simple inorganic linkers
Authors of publication	Zilu Zilu; Yifei Wang; Long Liu; Zhong Zhang; Fupei Liang
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	11689
a	28.0037 ± 0.0001 Å
b	28.0037 ± 0.0001 Å
c	28.0037 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	21960.7 ± 0.14 Å³
Cell temperature	161 ± 2 K
Ambient diffraction temperature	161 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.205
Weighted residual factors for all reflections included in the refinement	0.2164
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301853 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure.	7108623.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7108623.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108623.cif
68553	2012-11-07	cif/ Adding structures of 7108623 via cif-deposit CGI script.	7108623.cif