Crystallography Open Database

Information card for entry 4345048

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Coordinates	4345048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 Cl4 F12 N8 O5 Tm
Calculated formula	C24 H38 Cl4 F12 N8 O5 Tm
Title of publication	Fe- and Ln-DOTAm-F12 Are Effective Paramagnetic Fluorine Contrast Agents for MRI in Water and Blood.
Authors of publication	Srivastava, Kriti; Weitz, Evan A.; Peterson, Katie L.; Marjańska, Małgorzata; Pierre, Valérie C
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1546 - 1557
a	25.5559 ± 0.0018 Å
b	18.5893 ± 0.0013 Å
c	18.6003 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8836.4 ± 1.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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