Crystallography Open Database

Information card for entry 7242030

7242029 << 7242030 >> 7242031

Preview

Coordinates	7242030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl2 Co2 N6 O
Calculated formula	C18 H16 Cl2 Co2 N6 O
Title of publication	Magnetic relaxation in a Co(ii) chain complex: synthesis, structure, and DFT computational coupling constant
Authors of publication	Wu, Wen-Hao; Wang, Ya-Qun; Mi, Hong-Li; Xue, Qing-Xuan; Shao, Feng; Shen, Fei; Yang, Feng-Lei
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	6
Pages of publication	1398 - 1405
a	9.0784 ± 0.0003 Å
b	13.877 ± 0.0004 Å
c	16.6645 ± 0.0004 Å
α	90°
β	105.807 ± 0.001°
γ	90°
Cell volume	2020.02 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
262582 (current)	2021-03-05	cif/ Updating files of 7242030 Original log message: Adding full bibliography for 7242030.cif.	7242030.cif
260854	2021-01-08	cif/ Adding structures of 7242030 via cif-deposit CGI script.	7242030.cif