Crystallography Open Database

Information card for entry 7108315

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Coordinates	7108315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H128 Cl6 Gd6 N48 O66
Calculated formula	C115.99 H78 Cl6 Gd6 N48 O66
Title of publication	A hexanuclear gadolinium-organic octahedron as a sensitive MRI contrast agent for selectively imaging glucosamine in aqueous media
Authors of publication	Cheng He; Xiao Wu; Jichuan Kong; Tao liu; Xiaolin Zhang; Chunying Duan
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	9290
a	30.9426 ± 0.0005 Å
b	30.9426 ± 0.0005 Å
c	35.5088 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	29442.9 ± 1.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2465
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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