Crystallography Open Database

Information card for entry 7041260

Preview

Coordinates	7041260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H159 In6 N O78 Ti12
Calculated formula	C212 H159 In6 N O78 Ti12
Title of publication	[Ti12In6O18(OOCC6H5)30]: a multifunctional hetero-polyoxotitanate nanocluster with high stability and visible photoactivity.
Authors of publication	Liu, Shengjun; Hu, Wei; Nath, Jayanta Kr; Tong, Jing; Hou, Xudong; Liu, Wenlong; Yang, Jinlong; Liu, Bo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	3
Pages of publication	678 - 684
a	34.4795 ± 0.0017 Å
b	34.4795 ± 0.0017 Å
c	31.634 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	32569 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
191637 (current)	2017-02-04	cif/ Updating files of 7041260 Original log message: Adding full bibliography for 7041260.cif.	7041260.cif
188732	2016-11-29	cif/ Adding structures of 7041260 via cif-deposit CGI script.	7041260.cif