Crystallography Open Database

Information card for entry 7712205

Preview

Coordinates	7712205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H39 F2 Fe4 O6
Calculated formula	C53 H39 F2 Fe4 O6
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	18.2892 ± 0.0003 Å
b	24.9311 ± 0.0005 Å
c	10.3706 ± 0.0002 Å
α	90°
β	106.447 ± 0.0007°
γ	90°
Cell volume	4535.2 ± 0.15 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	7712205.cif
280627	2023-01-27	cif/ Adding structures of 7712202, 7712203, 7712204, 7712205 via cif-deposit CGI script.	7712205.cif