Crystallography Open Database

Information card for entry 7710691

Preview

Coordinates	7710691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H28 Cl2 N2 O2
Calculated formula	C13 H28 Cl2 N2 O2
Title of publication	Hexadentate Technetium-99m Bis(thiosemicarbazonato) Complexes: Synthesis, Characterisation and Biodistribution
Authors of publication	Kelderman, Cormac; Davey, Patrick; Ma, Michelle; de Veer, Michael; Salimova, Ekaterina; Donnelly, Paul Stephen; Paterson, Brett Michael
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.9584 ± 0.0003 Å
b	20.1197 ± 0.0004 Å
c	23.6121 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6631.2 ± 0.2 Å³
Cell temperature	122.99 ± 0.1 K
Ambient diffraction temperature	122.99 ± 0.1 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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