Crystallography Open Database

Information card for entry 4509291

Preview

Coordinates	4509291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H32 Br3 Cl2 Co N6
Calculated formula	C46 H30 Br3 Cl2 Co N6
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	15.5669 ± 0.0005 Å
b	17.604 ± 0.0006 Å
c	15.792 ± 0.0005 Å
α	90°
β	102.71 ± 0.001°
γ	90°
Cell volume	4221.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0736
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4509291.cif
97206	2014-01-29	cif/ Adding structures of 4509286, 4509287, 4509288, 4509289, 4509290, 4509291 via cif-deposit CGI script.	4509291.cif