Crystallography Open Database

Information card for entry 4082937

Preview

Coordinates	4082937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Fe O8
Calculated formula	C26 H26 Fe O8
SMILES	[c]12([cH]3[Fe]4567892([cH]1[cH]7[cH]35)[c]1([cH]4[cH]6[cH]8[cH]91)C(C)=C1C(=O)OC(OC1=O)(C)C)C(C)=C1C(=O)OC(OC1=O)(C)C
Title of publication	Synthesis, Structure, and Spectroelectrochemistry of Ferrocenyl‒Meldrum’s Acid Donor‒Acceptor Systems
Authors of publication	Kowalski, Konrad; Szczupak, Łukasz; Skiba, Joanna; Abdel-Rahman, Obadah S.; Winter, Rainer F.; Czerwieniec, Rafał; Therrien, Bruno
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	18
Pages of publication	4697
a	17.563 ± 0.0009 Å
b	10.2026 ± 0.0005 Å
c	12.9769 ± 0.0008 Å
α	90°
β	97.061 ± 0.004°
γ	90°
Cell volume	2307.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0757
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178718 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29.	4082937.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4082937.cif
108887	2014-04-04	cif/ Adding structures of 4082937 via cif-deposit CGI script.	4082937.cif