Crystallography Open Database

Information card for entry 4331650

Preview

Coordinates	4331650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H121 Co3 O42 P10 Ti3
Calculated formula	C68 H124 Co4 O67.6667 P13.3333 Ti4
Title of publication	Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand
Authors of publication	Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	328 - 335
a	21.2171 ± 0.0006 Å
b	21.2171 ± 0.0006 Å
c	21.2171 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	9551.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331650.cif
97773	2014-01-29	cif/ Adding structures of 4331650 via cif-deposit CGI script.	4331650.cif