Crystallography Open Database

Information card for entry 4070624

Preview

Coordinates	4070624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 Fe Si2
Calculated formula	C22 H38 Fe Si2
SMILES	[Fe]12345678([CH]9=[CH]1C2([Si](C)(C)C)[CH]3=[CH]4C9(C)C)[CH]1=[CH]5C6([Si](C)(C)C)[CH]7=[CH]8C1(C)C
Title of publication	Synthetic, Structural, and Electrochemical Studies of Edge-Bridged Open Ferrocenes
Authors of publication	Chong, Daesung; Geiger, William E.; Davis, Nathan A.; Weisbrich, Anke; Shi, Yifan; Arif, Atta M.; Ernst, Richard D.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	3
Pages of publication	430
a	21.7527 ± 0.0012 Å
b	11.3266 ± 0.0007 Å
c	21.7446 ± 0.0011 Å
α	90°
β	118.717 ± 0.003°
γ	90°
Cell volume	4698.6 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.1023
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178595 (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 4/07/06.	4070624.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070624.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070624.cif
42602	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070624 via cif-deposit CGI script.	4070624.cif