Crystallography Open Database

Information card for entry 1519231

1519230 << 1519231 >> 1519232

Preview

Coordinates	1519231.cif

Structure parameters

Formula	C36 H27 Co3 O9 P2
Calculated formula	C36 H27 Co3 O9 P2
SMILES	[Co]12([Co]3([Co]1([PH](c1ccccc1)c1ccccc1)(C23C(=O)OCC=C)(C#[O])C#[O])(C#[O])(C#[O])C#[O])([PH](c1ccccc1)c1ccccc1)(C#[O])C#[O]
Title of publication	C72H54Co6O18P4
Authors of publication	Morley, Christopher P.; Light, Mark E.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1999
Pages of publication	729
a	13.1462 ± 0.0003 Å
b	14.358 ± 0.0002 Å
c	19.1176 ± 0.0004 Å
α	89.332 ± 0.001°
β	81.509 ± 0.001°
γ	84.008 ± 0.001°
Cell volume	3549.43 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
188564 (current)	2016-11-18	Fixing a few Z values and formulae	1519231.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519231.cif
135549	2015-05-05	cif/ Adding structures of 1519231 via cif-deposit CGI script.	1519231.cif