Crystallography Open Database

Information card for entry 7713747

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Coordinates	7713747.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[NEt4]3[(pzTp)Fe(CN)3Co(TpEtOAn)]4[OTf]7.5MeCN.2Et2O
Formula	C213 H221 B4 Co4 F21 Fe4 N76 O27 S7
Calculated formula	C207 H208 B4 Co4 F21 Fe4 N75 O26 S7
Title of publication	Anthryl-Functionalized Cyanide-Bridged Fe/Co Cubes
Authors of publication	Liu, Qi; Cheng, Yue; Liu, Shihao; Chen, Zi-Yi; Zhang, Yuan-Zhu
Journal of publication	Dalton Transactions
Year of publication	2023
a	18.6217 ± 0.0008 Å
b	20.0661 ± 0.0007 Å
c	36.4748 ± 0.0014 Å
α	96.081 ± 0.001°
β	91.57 ± 0.001°
γ	100.796 ± 0.001°
Cell volume	13297.2 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	109.89 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1255
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2513
Weighted residual factors for all reflections included in the refinement	0.295
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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