Crystallography Open Database

Information card for entry 4331654

Preview

Coordinates	4331654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H70 Co2 Cr3 O30 P6 Ti2
Calculated formula	C33.98 H69.98 Co2 Cr3 O30 P6 Ti2
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	18.4085 ± 0.0009 Å
b	18.6209 ± 0.0009 Å
c	16.9501 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5810.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	4331654.cif
97777	2014-01-29	cif/ Adding structures of 4331654 via cif-deposit CGI script.	4331654.cif