Crystallography Open Database

Information card for entry 1577352

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 Zr
Calculated formula	C63 H126 Ga7 N7 Zr
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	12.596 ± 0.001 Å
b	12.7436 ± 0.0009 Å
c	24.9845 ± 0.0019 Å
α	100.625 ± 0.003°
β	97.016 ± 0.003°
γ	103.616 ± 0.002°
Cell volume	3773 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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.