Crystallography Open Database

Information card for entry 4324058

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Coordinates	4324058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 Fe O3 P2
Calculated formula	C29 H26 Fe O3 P2
Title of publication	Crystal Structures and Packing of the Tricarbonylbis(phosphine)iron(0) Complexes trans-Fe(CO)3L2 (L = PPh2Me, PPh3). Interplay between Arene-Arene Interactions and Phosphine Conformations
Authors of publication	Rainer Glaser; Paul E. Haney; Charles L. Barnes
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	1758 - 1764
a	15.551 ± 0.006 Å
b	9.7024 ± 0.0012 Å
c	17.32 ± 0.006 Å
α	90°
β	91.081 ± 0.011°
γ	90°
Cell volume	2612.8 ± 1.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.067
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections	0.057
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for significantly intense reflections	1.42
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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