Crystallography Open Database

Information card for entry 7047754

Preview

Coordinates	7047754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H52 Cl4 O6 P Rh S2 Ti
Calculated formula	C49 H52 Cl4 O6 P Rh S2 Ti
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	12.711 ± 0.004 Å
b	13.703 ± 0.004 Å
c	16.828 ± 0.005 Å
α	70.501 ± 0.005°
β	87.218 ± 0.005°
γ	67.906 ± 0.006°
Cell volume	2550.1 ± 1.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1763
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.1903
Weighted residual factors for all reflections included in the refinement	0.2492
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
229448 (current)	2019-11-17	cif/ Updating files of 7047752, 7047753, 7047754 Original log message: Adding full bibliography for 7047752--7047754.cif.	7047754.cif
211436	2018-10-13	cif/ Adding structures of 7047752, 7047753, 7047754 via cif-deposit CGI script.	7047754.cif