Crystallography Open Database

Information card for entry 7127347

Preview

Coordinates	7127347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H82 As3.78 Fe2 N4
Calculated formula	C58 H82 As3.7744 Fe2 N4
Title of publication	Iron β-diiminate complexes with As<sub>2</sub>-, As<sub>4</sub>- and As<sub>8</sub>-ligands.
Authors of publication	Spitzer, Fabian; Balázs, Gábor; Graßl, Christian; Scheer, Manfred
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	86
Pages of publication	13209 - 13212
a	14.2884 ± 0.0002 Å
b	13.6019 ± 0.0001 Å
c	15.3559 ± 0.0002 Å
α	90°
β	103.879 ± 0.001°
γ	90°
Cell volume	2897.28 ± 0.06 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260609 (current)	2021-01-07	cif/ Updating files of 7127343, 7127344, 7127345, 7127346, 7127347 Original log message: Adding full bibliography for 7127343--7127347.cif.	7127347.cif
256840	2020-09-30	cif/ Adding structures of 7127343, 7127344, 7127345, 7127346, 7127347 via cif-deposit CGI script.	7127347.cif