Crystallography Open Database

Information card for entry 4071586

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Coordinates	4071586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H Cl0.96 Fe N O
Calculated formula	C4 H3.30769 Cl0.153846 Fe0.153846 N0.153846 O0.115385
Title of publication	A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis
Authors of publication	Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	21
Pages of publication	5446
a	10.438 ± 0.004 Å
b	14.746 ± 0.005 Å
c	14.994 ± 0.005 Å
α	83.396 ± 0.005°
β	71.005 ± 0.005°
γ	73.007 ± 0.005°
Cell volume	2086.4 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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