Crystallography Open Database

Information card for entry 4067089

Preview

Coordinates	4067089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 Co F6 P
Calculated formula	C31 H28 Co F6 P
SMILES	[c]123[c]4(ccc5ccccc15)[cH]1[c]56[c]2(c2c(cc5)cccc2)[Co]25783416[c]1([c]2([c]5([c]7([c]81C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	A Cobaltocenium Complex of Dibenzo[c,g]fluorenide and Its Structural and Electrochemical Properties
Authors of publication	Pammer, Frank; Sun, Yu; Sieger, Monika; Fiedler, Jan; Sarkar, Biprajit; Thiel, Werner R.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6165
a	9.8455 ± 0.0002 Å
b	16.7019 ± 0.0003 Å
c	15.8718 ± 0.0003 Å
α	90°
β	90.527 ± 0.002°
γ	90°
Cell volume	2609.83 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1082
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	0.837
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
178505 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/70.	4067089.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067089.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067089.cif
34078	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067089 via cif-deposit CGI script.	4067089.cif