Crystallography Open Database

Information card for entry 4342080

4342079 << 4342080 >> 4342081

Preview

Coordinates	4342080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 N2 O5 Re
Calculated formula	C14 H9 N2 O5 Re
SMILES	[Re]1(OC(=O)c2[n]1cccc2)([n]1ccccc1)(C#[O])(C#[O])C#[O]
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	6.2056 ± 0.0005 Å
b	24.944 ± 0.002 Å
c	9.3402 ± 0.0008 Å
α	90°
β	96.47 ± 0.001°
γ	90°
Cell volume	1436.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.0316
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342080.cif
132816	2015-03-04	cif/ Updating files of 4342080, 4342081, 4342082, 4342083, 4342084 Original log message: Adding full bibliography for 4342080--4342084.cif.	4342080.cif
129790	2015-01-17	cif/ Adding structures of 4342080, 4342081, 4342082, 4342083, 4342084 via cif-deposit CGI script.	4342080.cif