Crystallography Open Database

Information card for entry 4324413

Preview

Coordinates	4324413.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis[μ^2^-Chloro-(tricarbonyl)-(ethoxy-ferrocenyl-methylidene)-rhenium] hemi(dichloromethane) solvate
Formula	C32.5 H29 Cl3 Fe2 O8 Re2
Calculated formula	C32.5 H29 Cl3 Fe2 O8 Re2
Title of publication	Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals
Authors of publication	Daniela I. Bezuidenhout; Simon Lotz; Marilé Landman; David C. Liles
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1521 - 1533
a	22.267 ± 0.0016 Å
b	15.2017 ± 0.0011 Å
c	21.6438 ± 0.0015 Å
α	90°
β	100.186 ± 0.001°
γ	90°
Cell volume	7210.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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.	4324413.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324413.cif
41121	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324413 via cif-deposit CGI script.	4324413.cif