Crystallography Open Database

Information card for entry 7046097

Preview

Coordinates	7046097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 Fe N4 O4.5
Calculated formula	C44 H34 Fe N4 O4.5
Title of publication	A new anthraquinoid ligand for the iron-catalyzed hydrosilylation of carbonyl compounds at room temperature: new insights and kinetics.
Authors of publication	Raya-Barón, Álvaro; Galdeano-Ruano, Carmen P; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; López-Ruiz, Rosalía; Romero-González, Roberto; Kuzu, Istemi; Fernández, Ignacio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	21
Pages of publication	7272 - 7281
a	15.547 ± 0.002 Å
b	14.268 ± 0.001 Å
c	17.633 ± 0.002 Å
α	90°
β	115.42 ± 0.01°
γ	90°
Cell volume	3532.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1678
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	0.897
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229906 (current)	2019-11-17	cif/ Updating files of 7046096, 7046097 Original log message: Adding full bibliography for 7046096--7046097.cif.	7046097.cif
207454	2018-04-24	cif/ Adding structures of 7046096, 7046097 via cif-deposit CGI script.	7046097.cif