Crystallography Open Database

Information card for entry 7711783

Preview

Coordinates	7711783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H102 Cl2 F12 Fe2 N14 P6 Ru2 S4
Calculated formula	C89 H102 Cl2 F12 Fe2 N14 P6 Ru2 S4
Title of publication	Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.
Authors of publication	He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	15.3525 ± 0.0005 Å
b	15.8856 ± 0.0007 Å
c	21.9881 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5362.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	9
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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