Crystallography Open Database

Information card for entry 2022929

2022928 << 2022929 >> 2022930

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Coordinates	2022929.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(pyridine-3-carbonitrile)dithiocyanatoiron(II)
Formula	C26 H16 Fe N10 S2
Calculated formula	C26 H16 Fe N10 S2
Title of publication	Synthesis, crystal structure and properties of tetra-kis-(pyridine-3-carbo-nitrile)-dithio-cyanatoiron(II) and of diaqua-bis-(pyridine-3-carbo-nitrile)-di-thio-cyanatoiron(II) pyridine-3-carbo-nitrile monosolvate.
Authors of publication	Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 11
Pages of publication	1093 - 1099
a	20.3549 ± 0.0002 Å
b	10.2084 ± 0.0001 Å
c	13.031 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2707.72 ± 0.04 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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