Crystallography Open Database

Information card for entry 7116026

Preview

Coordinates	7116026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H44 Cl4 Co2 N12 O18
Calculated formula	C60 H40 Cl4 Co2 N12 O18
Title of publication	Photoinduced water oxidation catalyzed by a double-helical dicobalt(II) sexipyridine complex
Authors of publication	Man Chen; Siu-Mui Ng; Shek-Man Yiu; Kai-Chung Lau; Raymond J. Zeng; Tai-Chu Lau
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	14956
a	23.5247 ± 0.0002 Å
b	23.5247 ± 0.0002 Å
c	45.7102 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	25296.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116026.cif
128786	2014-12-16	cif/ Adding structures of 7116026 via cif-deposit CGI script.	7116026.cif