Crystallography Open Database

Information card for entry 1572065

1572064 << 1572065 >> 1572066

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Coordinates	1572065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 F6 N2 O
Calculated formula	C29 H28 F6 N2 O
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	18.6211 ± 0.0006 Å
b	16.9942 ± 0.0004 Å
c	32.0027 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10127.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	1572065.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.	1572065.cif