Crystallography Open Database

Information card for entry 4086658

Preview

Coordinates	4086658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 Cl2 F6 Fe N2 O8 P2 S2
Calculated formula	C53.9997 H38 Cl2 F5.999 Fe N2 O7.999 P2 S1.99967
Title of publication	Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls
Authors of publication	Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	2782
a	24.4126 ± 0.0017 Å
b	24.4126 ± 0.0017 Å
c	54.953 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	28363 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.1898
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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