Crystallography Open Database

Information card for entry 4074978

Preview

Coordinates	4074978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 F6 Fe N2 O3 P2
Calculated formula	C21 H30 F6 Fe N2 O3 P2
Title of publication	Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes
Authors of publication	Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	13
Pages of publication	3238
a	11.199 ± 0.0002 Å
b	17.443 ± 0.0003 Å
c	14.026 ± 0.0002 Å
α	90°
β	103.438 ± 0.001°
γ	90°
Cell volume	2664.88 ± 0.08 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4074978.html