Crystallography Open Database

Information card for entry 4318786

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Coordinates	4318786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H96 Cl6 Cu2 Fe2 N18 O34
Calculated formula	C80 H96 Cl6 Cu2 Fe2 N18 O32
Title of publication	Cyanide-Bridged Molecular Squares with Ferromagnetically Coupled dπ, dσ, and pπ Spin System
Authors of publication	Hiroki Oshio; Masashi Yamamoto; Tasuku Ito
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5817 - 5820
a	13.3088 ± 0.0004 Å
b	14.529 ± 0.0004 Å
c	17.1359 ± 0.0005 Å
α	69.351 ± 0.001°
β	70.715 ± 0.001°
γ	66.215 ± 0.001°
Cell volume	2767.99 ± 0.14 Å³
Cell temperature	233.15 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1328
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2597
Weighted residual factors for all reflections included in the refinement	0.2948
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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