Crystallography Open Database

Information card for entry 4301892

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Coordinates	4301892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 Cu2 F5 Fe N9
Calculated formula	C29 H20 Cu2 F5 Fe N9
Title of publication	Spin-Crossover Behavior in Cyanide-Bridged Iron(II)-Copper(I) Bimetallic 1-3D Metal-Organic Frameworks
Authors of publication	Gloria Agustí; M. Carmen Muñoz; Ana B. Gaspar; José A. Real
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3371 - 3381
a	17.016 ± 0.0006 Å
b	12.65 ± 0.0005 Å
c	13.516 ± 0.0008 Å
α	90°
β	91.532 ± 0.002°
γ	90°
Cell volume	2908.3 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.1889
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.1891
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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