Crystallography Open Database

Information card for entry 7110272

Preview

Coordinates	7110272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N10 O6 Zn
Calculated formula	C6 H6 N5 O4 Zn0.5
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	31.01 ± 0.02 Å
b	8.561 ± 0.004 Å
c	7.546 ± 0.003 Å
α	90°
β	100.65 ± 0.05°
γ	90°
Cell volume	1968.8 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110272.cif
94336	2014-01-23	cif/ Adding structures of 7110272, 7110273, 7110274 via cif-deposit CGI script.	7110272.cif