Crystallography Open Database

Information card for entry 4071586

Preview

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

Version history

Revision	Date	Message	Files
178604 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15.	4071586.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071586.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071586.cif
43927	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071586 via cif-deposit CGI script.	4071586.cif