Crystallography Open Database

Information card for entry 7053749

Preview

Coordinates	7053749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129.5 H126 N8 O29.5 U4
Calculated formula	C129.5 H126 N8 O29.5 U4
Title of publication	Specific recognition of fluoride anion using a metallamacrocycle incorporating a uranyl-salen unit
Authors of publication	Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Nissinen, Maija; Rissanen, Kari
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	7
Pages of publication	1113
a	11.3081 ± 0.0002 Å
b	13.0763 ± 0.0003 Å
c	21.1935 ± 0.0004 Å
α	78.42 ± 0.001°
β	84.284 ± 0.001°
γ	88.925 ± 0.001°
Cell volume	3054.79 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053749.cif
96604	2014-01-29	cif/ Adding structures of 7053749 via cif-deposit CGI script.	7053749.cif