Crystallography Open Database

Information card for entry 7713746

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Coordinates	7713746.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(pzTp)Fe(CN)3Co(TpEtOAn)]4[OTf]4.8MeCN.7Et2O
Formula	C212 H230 B4 Co4 F12 Fe4 N76 O23 S4
Calculated formula	C176 H152 B4 Co4 F12 Fe4 N70 O17 S4
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	19.4205 ± 0.0009 Å
b	20.0866 ± 0.0011 Å
c	34.3463 ± 0.0017 Å
α	93.235 ± 0.002°
β	92.907 ± 0.002°
γ	108.862 ± 0.002°
Cell volume	12624.8 ± 1.1 Å³
Cell temperature	99.91 K
Ambient diffraction temperature	99.91 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	0.1501
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.2522
Weighted residual factors for all reflections included in the refinement	0.3098
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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