Crystallography Open Database

Information card for entry 1572067

1572066 << 1572067 >> 1572068

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Coordinates	1572067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 Fe N3 O3
Calculated formula	C42 H56 Fe N3 O3
Title of publication	2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions
Authors of publication	Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	16
Pages of publication	4522 - 4532
a	11.1854 ± 0.0005 Å
b	12.6987 ± 0.0005 Å
c	14.8312 ± 0.0007 Å
α	86.447 ± 0.004°
β	71.724 ± 0.004°
γ	71.449 ± 0.004°
Cell volume	1894.75 ± 0.16 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 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	0.1178
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294398 (current)	2024-09-06	cif/ Updating files of 1572060, 1572061, 1572062, 1572063, 1572064, 1572065, 1572066, 1572067, 1572068, 1572069, 1572070 Original log message: Adding full bibliography for 1572060--1572070.cif.	1572067.cif
293301	2024-07-09	cif/ Adding structures of 1572060, 1572061, 1572062, 1572063, 1572064, 1572065, 1572066, 1572067, 1572068, 1572069, 1572070 via cif-deposit CGI script.	1572067.cif