Crystallography Open Database

Information card for entry 1577351

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H126 Ga7 N7 Ti
Calculated formula	C63 H126 Ga7 N7 Ti
Title of publication	Homoleptic seven-coordinate Ti(0) and Zr(0) through a new stabilization mode.
Authors of publication	Antsiburov, Ivan; Bühler, Raphael; Stephan, Johannes; Erdyakov, Maxim; Gemel, Christian; Kahlal, Samia; Cador, Olivier; Guizouarn, Thierry; Saillard, Jean-Yves; Meyer, Karsten; Fischer, Roland A.
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	18
Pages of publication	8989 - 8997
a	15.2706 ± 0.0008 Å
b	21.8702 ± 0.0012 Å
c	23.1045 ± 0.0012 Å
α	90°
β	109.273 ± 0.002°
γ	90°
Cell volume	7283.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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

Version history is temporarily not available due to server issues.