Crystallography Open Database

Information card for entry 7714078

Preview

Coordinates	7714078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 Cl2 Mn N8 O13
Calculated formula	C44 H54 Cl2 Mn N8 O13
SMILES	[Mn]123456([O]=C(NCCCC)c7[n]3c3c(ccc8c3[n]5c(C(NCCCC)=[O]6)cc8)cc7)[O]=C(NCCCC)c3[n]4c4c(ccc5c4[n]2c(C(=[O]1)NCCCC)cc5)cc3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	Slow Magnetic Relaxation in 8-Coordinate Mn(II) Compounds
Authors of publication	Wang, Li-Xin; Wu, Xiao-Fan; Jin, Xinxin; Li, Jia-Yi; Wang, Bingwu; Liu, Jiyan; Xiang, Jing; Gao, Song
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.8971 ± 0.0002 Å
b	21.2744 ± 0.0003 Å
c	16.648 ± 0.0003 Å
α	90°
β	106.152 ± 0.002°
γ	90°
Cell volume	4727.74 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0435
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286608 (current)	2023-10-01	cif/ Adding structures of 7714076, 7714077, 7714078, 7714079 via cif-deposit CGI script.	7714078.cif