Crystallography Open Database

Information card for entry 7216779

Preview

Coordinates	7216779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H128 Fe2 N4 O44 Ti17
Calculated formula	C72 H128 Fe2 N4 O44 Ti17
Title of publication	Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles.
Authors of publication	Jarzembska, Katarzyna N.; Chen, Yang; Nasca, Justin N.; Trzop, Elżbieta; Watson, David F.; Coppens, Philip
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	15792 - 15795
a	15.5703 ± 0.0004 Å
b	26.9767 ± 0.0007 Å
c	25.2494 ± 0.0007 Å
α	90°
β	96.332 ± 0.001°
γ	90°
Cell volume	10540.9 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1357
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for significantly intense reflections	2.28
Goodness-of-fit parameter for all reflections included in the refinement	1.77
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7216779.cif
121775	2014-08-08	cif/ Updating files of 7216779 Original log message: Adding full bibliography for 7216779.cif.	7216779.cif
118168	2014-06-26	cif/ Adding structures of 7216779 via cif-deposit CGI script.	7216779.cif