Crystallography Open Database

Information card for entry 7715129

Preview

Coordinates	7715129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H119 K2 N4 O12 Ti4
Calculated formula	C64 H103 K2 N4 O12 Ti4
Title of publication	Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.
Authors of publication	Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	10
Pages of publication	4844 - 4855
a	11.6606 ± 0.0008 Å
b	18.7723 ± 0.0013 Å
c	20.043 ± 0.002 Å
α	85.258 ± 0.007°
β	78.968 ± 0.007°
γ	81.007 ± 0.008°
Cell volume	4247 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
290921 (current)	2024-04-05	cif/ Updating files of 7715128, 7715129, 7715130, 7715131 Original log message: Adding full bibliography for 7715128--7715131.cif.	7715129.cif
289760	2024-02-09	cif/ Adding structures of 7715128, 7715129, 7715130, 7715131 via cif-deposit CGI script.	7715129.cif