Crystallography Open Database

Information card for entry 7009227

Preview

Coordinates	7009227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H39 Co N2
Calculated formula	C26 H39 Co N2
SMILES	[Co]1234567([C]89=[C]%101CCCN1CCC[C]2%10=[C]39CCCN(CCC8)CCCCC1)[cH]1[cH]7[cH]6[cH]5[cH]41
Title of publication	Reaction of N,N'-bridged 1,10-diazacyclooctadeca-5,14-diynes with [CpCo(cod)]: a new type of superphane
Authors of publication	Gleiter, Rolf; von Hirschheydt, Thomas; Wolfart, Volker; Rominger, Frank
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	5
Pages of publication	685
a	7.6567 ± 0.0001 Å
b	9.7915 ± 0.0002 Å
c	16.0835 ± 0.0003 Å
α	87.261 ± 0.001°
β	77.433 ± 0.001°
γ	75.054 ± 0.001°
Cell volume	1137.04 ± 0.04 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
179796 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/92.	7009227.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009227.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009227.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009227.cif