Crystallography Open Database

Information card for entry 7064279

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Coordinates	7064279.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Trirubidium sodium tetraplumbate
Formula	C98 H110 B6 Br4 Cl2 F12 Fe N40 O8
Calculated formula	C98 H110 B6 Br4 Cl2 F12 Fe N40 O8
Title of publication	Linkage isomerism in a homoleptic Fe(ii) complex with BODIPY-1H-tetrazole ligands
Authors of publication	Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Weinberger, Peter
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	13.6961 ± 0.0009 Å
b	15.0329 ± 0.0009 Å
c	16.4033 ± 0.0011 Å
α	76.081 ± 0.005°
β	70.357 ± 0.005°
γ	66.017 ± 0.005°
Cell volume	2884.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0735
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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