Crystallography Open Database

Information card for entry 2312590

Preview

Coordinates	2312590.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(dimethylamido)-1κ<i>N</i>,2κ<i>N</i>-bis(dimethylamine)-1κ<i>N</i>,2κ<i>N</i>-tris(μ-5-phenyltetrazolato-1:2κ^2^<i>N</i>^2^:<i>N</i>^3^)tris(5-phenyltetrazolato)-1κ^2^<i>N</i>^2^;2κ^2^<i>N</i>^2^,<i>N</i>^3^- dizirconium(III)]–benzene–dichloromethane (1/1.12/0.38)
Formula	C57.09 H63.47 Cl0.76 N28 Zr2
Calculated formula	C57.0925 H63.474 Cl0.763 N28 Zr2
Title of publication	Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.
Authors of publication	Bikzhanova, Galina A.; Guzei, Ilia A.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	9
a	13.9631 ± 0.0005 Å
b	16.7619 ± 0.0006 Å
c	27.3054 ± 0.0009 Å
α	86.902 ± 0.001°
β	81.154 ± 0.001°
γ	89.969 ± 0.001°
Cell volume	6305.3 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.052
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
294213 (current)	2024-08-24	cif/ Adding structures of 2312589, 2312590, 2312591 via cif-deposit CGI script.	2312590.cif