Crystallography Open Database

Information card for entry 4121175

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Structure parameters

Common name	Li[TcO(glyc)2]DMF
Formula	C7 H15 Li N O6 Tc
Calculated formula	C7 H15 Li N O6 Tc
Title of publication	Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes
Authors of publication	Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	17566 - 17572
a	7.2092 ± 0.0007 Å
b	9.1767 ± 0.0006 Å
c	17.0327 ± 0.0016 Å
α	90°
β	101.81 ± 0.008°
γ	90°
Cell volume	1102.97 ± 0.17 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
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	0.038
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4121175.cif
179013	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/11.	4121175.cif
107352	2014-03-18	cif/ Adding structures of 4121175 via cif-deposit CGI script.	4121175.cif