Crystallography Open Database

Information card for entry 2022948

2022947 << 2022948 >> 2022949

Preview

Coordinates	2022948.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)
Formula	C25 H16 Cl Fe N9 S
Calculated formula	C25 H16 Cl Fe N9 S
Title of publication	Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)
Authors of publication	Müller-Meinhard, Asmus; Jess, Inke; Näther, Christian
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	12
Pages of publication	1173 - 1178
a	10.79412 ± 0.00006 Å
b	10.79412 ± 0.00006 Å
c	11.15065 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	1299.2 ± 0.016 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	104
Hermann-Mauguin space group symbol	P 4 n c
Hall space group symbol	P 4 -2n
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288943 (current)	2024-01-07	cif/ Updating files of 2022948 Original log message: Adding full bibliography for 2022948.cif.	2022948.cif
287719	2023-11-22	cif/ hkl/ Adding structures of 2022948 via cif-deposit CGI script.	2022948.cif