Crystallography Open Database

Information card for entry 4077741

Preview

Coordinates	4077741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Fe2 N3 O6 P2
Calculated formula	C27 H31 Fe2 N3 O6 P2
Title of publication	Regioselective Addition of Tris(dialkylamino) Phosphines to [Fe2(CO)6(μ-PPh2){μ-η1:η2-(H)CCCH2}]: Novel P−C Coupling Reactions and Unusual Hydrocarbyl Rearrangements
Authors of publication	Doherty, Simon; Waugh, Mark; Scanlan, Tom H.; Elsegood, Mark R. J.; Clegg, William
Journal of publication	Organometallics
Year of publication	1999
Journal volume	18
Journal issue	4
Pages of publication	679
a	9.0206 ± 0.0015 Å
b	16.567 ± 0.003 Å
c	10.5544 ± 0.0017 Å
α	90°
β	105.853 ± 0.004°
γ	90°
Cell volume	1517.3 ± 0.4 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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