Crystallography Open Database

Information card for entry 4078740

Preview

Coordinates	4078740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Fe O2.5
Calculated formula	C26 H22 Fe O2.5
Title of publication	Synthesis and Antiproliferative Effects of [3]Ferrocenophane Transposition Products and Pinacols Obtained from McMurry Cross-Coupling Reactions
Authors of publication	Görmen, Meral; Pigeon, Pascal; Hillard, Elizabeth A.; Vessières, Anne; Huché, Michel; Richard, Marie-Aude; McGlinchey, Michael J.; Top, Siden; Jaouen, Gérard
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	16
Pages of publication	5856
a	9.4063 ± 0.0013 Å
b	15.1759 ± 0.0018 Å
c	15.648 ± 0.003 Å
α	85.993 ± 0.011°
β	74.259 ± 0.013°
γ	78.082 ± 0.012°
Cell volume	2103.4 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for all reflections	0.2083
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.2083
Goodness-of-fit parameter for all reflections included in the refinement	0.9575
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4078740.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078740.cif
66382	2012-09-09	cif/ Adding structures of 4078740, 4078741, 4078742 via cif-deposit CGI script.	4078740.cif