Crystallography Open Database

Information card for entry 7244720

Preview

Coordinates	7244720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 Cl4 N6 O12 Ti3
Calculated formula	C44 H34 Cl4 N6 O12 Ti3
Title of publication	A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses
Authors of publication	Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan
Journal of publication	CrystEngComm
Year of publication	2022
a	9.2333 ± 0.0005 Å
b	10.1635 ± 0.0008 Å
c	14.3186 ± 0.0005 Å
α	79.464 ± 0.005°
β	74.926 ± 0.004°
γ	64.319 ± 0.006°
Cell volume	1165.49 ± 0.13 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2304
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7244720.html