Crystallography Open Database

Information card for entry 7114829

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Coordinates	7114829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.25 H33.5 Cl0.5 Co
Calculated formula	C37.25 H33.5 Cl0.5 Co
Title of publication	A solution-phase route to a tetraethynylated (cyclobutadiene)cyclopentadienylcobalt complex with a para-(1,3,2,4)-substitution patternElectronic supplementary information (ESI) available: experimental, including details of preparation and spectroscopic characterization of all new compounds. See http://www.rsc.org/suppdata/cc/b1/b109848a/
Authors of publication	Laskoski, Matthew; Morton, Jason G. M.; Smith, Mark D.; Bunz, Uwe H. F.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	24
Pages of publication	2590
a	23.132 ± 0.002 Å
b	18.932 ± 0.002 Å
c	29.492 ± 0.004 Å
α	90°
β	102.163 ± 0.003°
γ	90°
Cell volume	12626 ± 2 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.1344
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114829.cif
118362	2014-06-30	cif/ Adding structures of 7114829 via cif-deposit CGI script.	7114829.cif