Crystallography Open Database

Information card for entry 4071648

Preview

Coordinates	4071648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Fe O
Calculated formula	C17 H14 Fe O
Title of publication	Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?
Authors of publication	Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4173
a	10.105 ± 0.002 Å
b	12.419 ± 0.003 Å
c	20.819 ± 0.004 Å
α	90°
β	103.92 ± 0.004°
γ	90°
Cell volume	2535.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178605 (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 4/07/16.	4071648.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071648.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071648.cif
43959	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071642, 4071643, 4071644, 4071645, 4071646, 4071647, 4071648, 4071649, 4071650, 4071651 via cif-deposit CGI script.	4071648.cif