Crystallography Open Database

Information card for entry 7025299

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Coordinates	7025299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H110 Cu2 Gd2 N4 O14
Calculated formula	C70 H110 Cu2 Gd2 N4 O14
Title of publication	Metalloligands for designing single-molecule and single-chain magnets
Authors of publication	Costes, Jean-Pierre; Vendier, Laure; Wernsdorfer, Wolfgang
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	4886
a	17.7804 ± 0.0006 Å
b	17.976 ± 0.005 Å
c	24.1499 ± 0.0007 Å
α	90°
β	102.668 ± 0.003°
γ	90°
Cell volume	7531 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0842
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	0.788
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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