Crystallography Open Database

Information card for entry 7709083

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Coordinates	7709083.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ClO4-173
Formula	C24 H18 Cl2 Fe N10 O10
Calculated formula	C24 H18 Cl2 Fe N10 O10
Title of publication	Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand
Authors of publication	Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui
Journal of publication	Dalton Transactions
Year of publication	2022
a	18.4496 ± 0.0008 Å
b	8.9454 ± 0.0004 Å
c	17.227 ± 0.0008 Å
α	90°
β	94.149 ± 0.003°
γ	90°
Cell volume	2835.7 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0533
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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