Crystallography Open Database

Information card for entry 4342081

4342080 << 4342081 >> 4342082

Preview

Coordinates	4342081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H11 N2 O6.5 Re
Calculated formula	C14.5 H11 N2 O6.5 Re
Title of publication	Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes.
Authors of publication	Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1528 - 1534
a	7.5221 ± 0.0008 Å
b	7.8492 ± 0.0009 Å
c	13.7338 ± 0.0015 Å
α	97.731 ± 0.001°
β	97.263 ± 0.001°
γ	92.335 ± 0.001°
Cell volume	795.68 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0177
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4342081.cif
132816	2015-03-04	cif/ Updating files of 4342080, 4342081, 4342082, 4342083, 4342084 Original log message: Adding full bibliography for 4342080--4342084.cif.	4342081.cif
129790	2015-01-17	cif/ Adding structures of 4342080, 4342081, 4342082, 4342083, 4342084 via cif-deposit CGI script.	4342081.cif