Crystallography Open Database

Information card for entry 4331662

Preview

Coordinates	4331662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H84 Co2 F12 O38 P6 S4 Zr2
Calculated formula	C38 H74 Co2 F12 O38 P6 S4 Zr2
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	12.7936 ± 0.0016 Å
b	14.5828 ± 0.0018 Å
c	22.458 ± 0.003 Å
α	90°
β	98.823 ± 0.002°
γ	90°
Cell volume	4140.3 ± 0.9 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 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	0.0829
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4331662.cif
97785	2014-01-29	cif/ Adding structures of 4331662 via cif-deposit CGI script.	4331662.cif