Crystallography Open Database

Information card for entry 1577353

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	C290 H351 B4 F99 Ga16 N16 Zr2
Calculated formula	C290 H351 B4 F99 Ga16 N16 Zr2
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	17.7049 ± 0.001 Å
b	32.5007 ± 0.0018 Å
c	28.0612 ± 0.0015 Å
α	90°
β	92.954 ± 0.002°
γ	90°
Cell volume	16125.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.247
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.