Crystallography Open Database

Information card for entry 4331660

Preview

Coordinates	4331660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H114 Co3 F12 O46 P9 S4 Zr3
Calculated formula	C55 H89 Co3 F12 O46 P9 S4 Zr3
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	16.1644 ± 0.0012 Å
b	20.9967 ± 0.0015 Å
c	30.44 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	10331.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	4331660.cif
97783	2014-01-29	cif/ Adding structures of 4331660 via cif-deposit CGI script.	4331660.cif