Crystallography Open Database

Information card for entry 7248847

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Coordinates	7248847.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	JL-005c
Formula	C46 H26 Cl2 F9 Fe N6 S3
Calculated formula	C46 H26 Cl2 F9 Fe N6 S3
Title of publication	Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors
Authors of publication	Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz
Journal of publication	CrystEngComm
Year of publication	2024
a	10.201 ± 0.0005 Å
b	11.0689 ± 0.0011 Å
c	11.4836 ± 0.0012 Å
α	115.214 ± 0.002°
β	97.954 ± 0.002°
γ	104.048 ± 0.002°
Cell volume	1094 ± 0.17 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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