Crystallography Open Database

Information card for entry 7712173

Preview

Coordinates	7712173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H66 Cu N5 O16 Ti4
Calculated formula	C82 H65.9994 Cu N5 O16 Ti4
Title of publication	Cu<sub>4</sub>Ti<sub>4</sub>-oxo clusters functionalized by <i>in situ</i> - generated 2,2'-biphenolate ligands from the oxidative coupling of phenols.
Authors of publication	Liu, Xiao-Xue; Wang, Zi-Rui; Chen, Guang-Hui; Li, Qiao-Hong; Tao, Jun; Zhang, Lei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	7
Pages of publication	1857 - 1860
a	13.0524 ± 0.0001 Å
b	13.0524 ± 0.0001 Å
c	24.5902 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3628.05 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	158
Hermann-Mauguin space group symbol	P 3 c 1
Hall space group symbol	P 3 -2"c
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283322 (current)	2023-05-05	cif/ Updating files of 7712172, 7712173, 7712174 Original log message: Adding full bibliography for 7712172--7712174.cif.	7712173.cif
280449	2023-01-20	cif/ Adding structures of 7712172, 7712173, 7712174 via cif-deposit CGI script.	7712173.cif