Crystallography Open Database

Information card for entry 4509289

Preview

Coordinates	4509289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 Co N9
Calculated formula	C48 H30 Co N9
SMILES	[Co]123([n]4cccc4=C(c4n1ccc4)c1ccc(cc1)C#N)([n]1cccc1=C(c1n3ccc1)c1ccc(cc1)C#N)[n]1c(=C(c3n2ccc3)c2ccc(cc2)C#N)ccc1
Title of publication	Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes
Authors of publication	Telfer, Shane G.; Wuest, James D.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1923
a	16.8939 ± 0.0008 Å
b	31.7723 ± 0.0015 Å
c	8.2865 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4447.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179628 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/92.	4509289.cif
97206	2014-01-29	cif/ Adding structures of 4509286, 4509287, 4509288, 4509289, 4509290, 4509291 via cif-deposit CGI script.	4509289.cif