Crystallography Open Database

Information card for entry 4331658

Preview

Coordinates	4331658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 Co F9 O18 P3 S3 Zr
Calculated formula	C20 H25 Co F9 O18 P3 S3 Zr
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	11.9323 ± 0.001 Å
b	17.4621 ± 0.0015 Å
c	19.3803 ± 0.0017 Å
α	90°
β	95.349 ± 0.002°
γ	90°
Cell volume	4020.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.089
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4331658.cif
97781	2014-01-29	cif/ Adding structures of 4331658 via cif-deposit CGI script.	4331658.cif