Crystallography Open Database

Information card for entry 7046753

Preview

Coordinates	7046753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H41 Co2 N15 O11 S4
Calculated formula	C51 H41 Co2 N15 O11 S4
Title of publication	A Co(ii) framework derived from a tris(4-(triazol-1-yl)phenyl)amine redox-active linker: an electrochemical and magnetic study.
Authors of publication	Ngue, Chin-May; Chiu, Ching-Wen; Lee, Gene-Hsiang; Peng, Shie-Ming; Leung, Man-Kit; Yang, Chen-I; Liu, Yen-Hsiang; Lu, Kuang-Lieh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	28
Pages of publication	9341 - 9346
a	12.7016 ± 0.0005 Å
b	20.9067 ± 0.001 Å
c	20.8591 ± 0.0011 Å
α	90°
β	96.5309 ± 0.0016°
γ	90°
Cell volume	5503.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229187 (current)	2019-11-17	cif/ Updating files of 7046753 Original log message: Adding full bibliography for 7046753.cif.	7046753.cif
208549	2018-06-20	cif/ Adding structures of 7046753 via cif-deposit CGI script.	7046753.cif