Crystallography Open Database

Information card for entry 7710692

Preview

Coordinates	7710692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H95 N17 O5 S4
Calculated formula	C41 H95 N17 O5 S4
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	13.9656 ± 0.0004 Å
b	15.2212 ± 0.0004 Å
c	16.5693 ± 0.0004 Å
α	97.556 ± 0.002°
β	111.701 ± 0.002°
γ	110.673 ± 0.002°
Cell volume	2919.43 ± 0.16 Å³
Cell temperature	122.99 ± 0.1 K
Ambient diffraction temperature	122.99 ± 0.1 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	0.0627
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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