Crystallography Open Database

Information card for entry 7714079

Preview

Coordinates	7714079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Cl2 Mn N20 O8
Calculated formula	C40 H48 Cl2 Mn N20 O8
SMILES	[Mn]123456([n]7c(c8[n]3nn(n8)C(C)(C)C)cccc7c3[n]1c(ccc3)c1[n]2nn(n1)C(C)(C)C)[n]1c(cccc1c1[n]4c(ccc1)c1[n]5nn(n1)C(C)(C)C)c1[n]6nn(n1)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=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	10.937 ± 0.002 Å
b	39.707 ± 0.008 Å
c	12.853 ± 0.003 Å
α	90°
β	110.8 ± 0.03°
γ	90°
Cell volume	5218 ± 2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.123
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.1865
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation probe	x-ray
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
286608 (current)	2023-10-01	cif/ Adding structures of 7714076, 7714077, 7714078, 7714079 via cif-deposit CGI script.	7714079.cif