Crystallography Open Database

Information card for entry 7213909

Preview

Coordinates	7213909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H171 Cl8 Co16 N48 O41.5
Calculated formula	C124 H81 Cl8 Co16 N48 O16
Title of publication	Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion
Authors of publication	Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	753
a	34.484 ± 0.01 Å
b	20.624 ± 0.006 Å
c	23.922 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	17013 ± 9 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.184
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180470 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/39.	7213909.cif
105206	2014-03-11	cif/ Adding structures of 7213907, 7213908, 7213909 via cif-deposit CGI script.	7213909.cif