Crystallography Open Database

Information card for entry 7715128

Preview

Coordinates	7715128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H108 N4 Na O6 Ti4
Calculated formula	C63.9996 H107.999 N4 Na O6 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	23.803 ± 0.005 Å
b	23.803 ± 0.005 Å
c	23.803 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	13486 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7715128.cif
289760	2024-02-09	cif/ Adding structures of 7715128, 7715129, 7715130, 7715131 via cif-deposit CGI script.	7715128.cif