Crystallography Open Database

Information card for entry 7127343

Preview

Coordinates	7127343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H74 As4 Fe2 N4
Calculated formula	C54 H74 As4 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	13.2431 ± 0.0006 Å
b	13.9354 ± 0.0008 Å
c	16.0383 ± 0.0007 Å
α	89.203 ± 0.004°
β	87.031 ± 0.004°
γ	67.239 ± 0.005°
Cell volume	2725.6 ± 0.3 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7127343.cif
256840	2020-09-30	cif/ Adding structures of 7127343, 7127344, 7127345, 7127346, 7127347 via cif-deposit CGI script.	7127343.cif