Crystallography Open Database

Information card for entry 7043664

Preview

Coordinates	7043664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 F6 Mn N4 O2 Sb
Calculated formula	C22 H28 F6 Mn N4 O2 Sb
SMILES	c12ccccc1C=[N]1CCC[NH]3[Mn]451(O2)[N](=Cc1c(cccc1)O5)CCC[NH]4CC3.[F-][Sb](F)(F)(F)(F)F
Title of publication	The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes
Authors of publication	Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.661 ± 0.004 Å
b	8.205 ± 0.003 Å
c	13.538 ± 0.004 Å
α	90°
β	94.153 ± 0.007°
γ	90°
Cell volume	1291.9 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
198775 (current)	2017-07-18	cif/ Adding structures of 7043660, 7043661, 7043662, 7043663, 7043664, 7043665, 7043666, 7043667, 7043668, 7043669 via cif-deposit CGI script.	7043664.cif