Crystallography Open Database

Information card for entry 4318031

Preview

Coordinates	4318031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Fe Gd N5 O14
Calculated formula	C23 H28 Fe Gd N5 O14
Title of publication	Dinuclear (FeII, GdIII) Complexes Deriving from Hexadentate Schiff Bases: Synthesis, Structure, and Mössbauer and Magnetic Properties
Authors of publication	Jean-Pierre Costes; Juan Modesto Clemente-Juan; Françoise Dahan; Frédéric Dumestre; Jean-Pierre Tuchagues
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	2886 - 2891
a	9.7821 ± 0.0013 Å
b	18.7725 ± 0.0017 Å
c	16.1 ± 0.002 Å
α	90°
β	96.497 ± 0.016°
γ	90°
Cell volume	2937.5 ± 0.6 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0269
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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