Crystallography Open Database

Information card for entry 4339937

Preview

Coordinates	4339937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 Co O6
Calculated formula	C32 H30 Co O6
SMILES	C1(=CC(=[O][Co]2(O1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)([OH]C)[OH]C)c1ccccc1)c1ccccc1
Title of publication	Preparation and structure of three solvatomorphs of the polymer [Co(dbm)2(4ptz)]n: spin canting depending on the supramolecular organization.
Authors of publication	Barrios, Leoní A; Ribas, Joan; Aromí, Guillem; Ribas-Ariño, Jordi; Gamez, Patrick; Roubeau, Olivier; Teat, Simon J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7154 - 7162
a	16.9583 ± 0.0008 Å
b	16.346 ± 0.0007 Å
c	10.388 ± 0.0006 Å
α	90°
β	108.779 ± 0.002°
γ	90°
Cell volume	2726.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0667
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339937.cif
117626	2014-06-15	cif/ Adding structures of 4339937 via cif-deposit CGI script.	4339937.cif