Crystallography Open Database

Information card for entry 7712202

Preview

Coordinates	7712202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Fe2 O4
Calculated formula	C24 H18 Fe2 O4
Title of publication	Synthesis of (μ<sup>2</sup>,η<sup>3</sup>-allyl-η<sup>5</sup>-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η<sup>4</sup>-(vinylketene)Fe(CO)<sub>3</sub> complexes: structure and electron density distribution analysis.
Authors of publication	Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2722 - 2734
a	16.2932 ± 0.0008 Å
b	11.1212 ± 0.0006 Å
c	13.2838 ± 0.0007 Å
α	90°
β	108.853 ± 0.001°
γ	90°
Cell volume	2277.9 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0829
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
283221 (current)	2023-05-05	cif/ Updating files of 7712202, 7712203, 7712204, 7712205 Original log message: Adding full bibliography for 7712202--7712205.cif.	7712202.cif
280627	2023-01-27	cif/ Adding structures of 7712202, 7712203, 7712204, 7712205 via cif-deposit CGI script.	7712202.cif