Crystallography Open Database

Information card for entry 7047753

Preview

Coordinates	7047753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H80 Li2 O13 S4 Ti2
Calculated formula	C64 H80 Li2 O13 S4 Ti2
Title of publication	Titanium thiosalicylate complexes: functional metalloligands for the construction of redox-active heterometallic architectures.
Authors of publication	Fandos, Rosa; Bruña, Sonia; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Cuadrado, Isabel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	43
Pages of publication	15391 - 15398
a	22.77 ± 0.02 Å
b	21.68 ± 0.02 Å
c	14.279 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	7049 ± 12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.2977
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.2436
Goodness-of-fit parameter for all reflections included in the refinement	0.669
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
229448 (current)	2019-11-17	cif/ Updating files of 7047752, 7047753, 7047754 Original log message: Adding full bibliography for 7047752--7047754.cif.	7047753.cif
211436	2018-10-13	cif/ Adding structures of 7047752, 7047753, 7047754 via cif-deposit CGI script.	7047753.cif