Crystallography Open Database

Information card for entry 2312589

Preview

Coordinates	2312589.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(dimethylammonium) tris(μ-5-phenyltetrazolato-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[bis(dimethylamido)(5-phenyltetrazolato-κ<i>N</i>^2^)titanium] benzene 1.45-solvate
Formula	C45 H57 N25 Ti2
Calculated formula	C45 H57 N25 Ti2
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	11.6292 ± 0.0009 Å
b	22.6611 ± 0.0017 Å
c	22.3631 ± 0.0017 Å
α	90°
β	93.857 ± 0.001°
γ	90°
Cell volume	5880 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	2312589.cif