Crystallography Open Database

Information card for entry 7717743

Preview

Coordinates	7717743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H51 N6 Zr2
Calculated formula	C49.5 H51 N6 Zr2
Title of publication	A zirconocene triazenido hydride complex activates CO<sub>2</sub>.
Authors of publication	Proges, Charlotte; Lindenau, Kevin; Rothe, Julia; Spannenberg, Anke; Baumann, Wolfgang; Reiß, Fabian; Schulz, Axel; Beweries, Torsten
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	5
Pages of publication	1929 - 1934
a	18.1865 ± 0.001 Å
b	11.1064 ± 0.0006 Å
c	21.3125 ± 0.0012 Å
α	90°
β	99.3567 ± 0.0011°
γ	90°
Cell volume	4247.6 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.0517
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
298276 (current)	2025-03-04	cif/ Updating files of 7717743, 7717744 Original log message: Adding full bibliography for 7717743--7717744.cif.	7717743.cif
297013	2025-01-01	cif/ Adding structures of 7717743, 7717744 via cif-deposit CGI script.	7717743.cif