Crystallography Open Database

Information card for entry 7721118

Preview

Coordinates	7721118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Fe O8
Calculated formula	C36 H28 Fe O8
Title of publication	Tuning the Tetraarylcyclopentadienones from iron tricarbonyl complexes: effects in Transfer Hydrogenation and solubility
Authors of publication	Zingales, Esteban; Huertos, Miguel Angel; Sanchez-Cano, Carlos
Journal of publication	Dalton Transactions
Year of publication	2026
a	14.3855 ± 0.0002 Å
b	20.509 ± 0.0004 Å
c	21.9273 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6469.26 ± 0.19 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	4
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	0.0827
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	0.909
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7721118.html