Crystallography Open Database

Information card for entry 7714870

Preview

Coordinates	7714870.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Co(SS-cth)(phendiox)AsF6_300K
Formula	C31 H47 As Co F6 N4 O2.5
Calculated formula	C31 H44 As Co F6 N4 O2.5
SMILES	[Co]1234(Oc5c6c(c7c(cccc7)c5O4)cccc6)[NH]4CC[NH]1[C@@H](C)CC(C)([NH]3CC[NH]2[C@H](CC4(C)C)C)C.[As](F)(F)(F)([F-])(F)F.CCO
Title of publication	Photo-induced valence tautomerism and polarization switching in mononuclear cobalt complexes with an enantiopure chiral ligand.
Authors of publication	Xu, Wen-Huang; Huang, Yu-Bo; Zheng, Wen-Wei; Su, Sheng-Qun; Kanegawa, Shinji; Wu, Shu-Qi; Sato, Osamu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2512 - 2516
a	9.57345 ± 0.00016 Å
b	12.02833 ± 0.00019 Å
c	30.3122 ± 0.0004 Å
α	90°
β	92.7992 ± 0.0014°
γ	90°
Cell volume	3486.36 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1643
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.1656
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.41195 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295543 (current)	2024-10-18	cif/7: Fixing Z values and formulae	7714870.cif
290175	2024-03-04	cif/ Updating files of 7714870, 7714871 Original log message: Adding full bibliography for 7714870--7714871.cif.	7714870.cif
288617	2024-01-03	cif/ Adding structures of 7714870, 7714871 via cif-deposit CGI script.	7714870.cif