Crystallography Open Database

Information card for entry 7110274

Preview

Coordinates	7110274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 Gd N15 O6.5
Calculated formula	C18 H22 Gd N15 O6.5
Title of publication	Novel coordinating motifs for lanthanide(iii) ions based on 5-(2-pyridyl)tetrazole and 5-(2-pyridyl-1-oxide)tetrazole. Potential new contrast agentsElectronic supplementary information (ESI) available: chelate analytical data, crystal structure of Zn(2?)2, potentiometric titrations, and relaxivity plots. See http://www.rsc.org/suppdata/cc/b4/b401919a/
Authors of publication	Facchetti, Antonio; Abbotto, Alessandro; Beverina, Luca; Bradamante, Silvia; Mariani, Palma; Stern, Charlotte L.; Marks, Tobin J.; Vacca, Alberto; Pagani, Giorgio A.
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	15
Pages of publication	1770 - 1771
a	9.0273 ± 0.0009 Å
b	17.714 ± 0.003 Å
c	16.748 ± 0.0019 Å
α	90°
β	99.819 ± 0.009°
γ	90°
Cell volume	2638.9 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0351
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
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.	7110274.cif
94336	2014-01-23	cif/ Adding structures of 7110272, 7110273, 7110274 via cif-deposit CGI script.	7110274.cif