Crystallography Open Database

Information card for entry 4085022

Preview

Coordinates	4085022.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,7-dimethoxyfluorenyl-pentamethylcyclopentadienylcobalt(II)
Formula	C25 H28 Co O2
Calculated formula	C25 H28 Co O2
SMILES	[Co]12345678([c]9([c]8([c]3([c]2([c]69C)C)C)C)C)[c]23cc(cc[c]52[c]24[c]1(cc(OC)cc2)[cH]73)OC
Title of publication	Syntheses, Structures, and Properties of Substituted Co(C5Me5)(2,7-di(OCH3)fluorenido Co(II) and Co(III) Complexes
Authors of publication	Bugenhagen, Bernhard E. C.; Brinn, Lisa; Prosenc, Marc H.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7015
a	12.5015 ± 0.0003 Å
b	8.31079 ± 0.00016 Å
c	19.7907 ± 0.0005 Å
α	90°
β	104.244 ± 0.002°
γ	90°
Cell volume	1992.99 ± 0.08 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178739 (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 4/08/50.	4085022.cif
131459	2015-02-07	cif/ Updating files of 4085022, 4085023 Original log message: Adding full bibliography for 4085022--4085023.cif.	4085022.cif
128679	2014-12-13	cif/ Adding structures of 4085022, 4085023 via cif-deposit CGI script.	4085022.cif