Crystallography Open Database

Information card for entry 7247597

Preview

Coordinates	7247597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Cl2 Co N12 O14
Calculated formula	C18 H36 Cl2 Co N12 O14
Title of publication	2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive
Authors of publication	Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	46
Pages of publication	6449 - 6454
a	9.7285 ± 0.0009 Å
b	9.8676 ± 0.0009 Å
c	16.7911 ± 0.0015 Å
α	90°
β	97.648 ± 0.003°
γ	90°
Cell volume	1597.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0891
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
288785 (current)	2024-01-06	cif/ Updating files of 7247597, 7247598 Original log message: Adding full bibliography for 7247597--7247598.cif.	7247597.cif
287152	2023-10-28	cif/ Adding structures of 7247597, 7247598 via cif-deposit CGI script.	7247597.cif