Crystallography Open Database

Information card for entry 4342084

4342083 << 4342084 >> 4342085

Preview

Coordinates	4342084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H16 N3 O5.5 Re
Calculated formula	C16.5 H16 N3 O5.5 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	17.9017 ± 0.0018 Å
b	12.7603 ± 0.0013 Å
c	16.6692 ± 0.0016 Å
α	90°
β	112.225 ± 0.001°
γ	90°
Cell volume	3524.9 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0191
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0391
Weighted residual factors for all reflections included in the refinement	0.0398
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4342084.cif
132816	2015-03-04	cif/ Updating files of 4342080, 4342081, 4342082, 4342083, 4342084 Original log message: Adding full bibliography for 4342080--4342084.cif.	4342084.cif
129790	2015-01-17	cif/ Adding structures of 4342080, 4342081, 4342082, 4342083, 4342084 via cif-deposit CGI script.	4342084.cif