Crystallography Open Database

Information card for entry 7005694

Preview

Coordinates	7005694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H25.33 Cl1.5 Co N4 Na0.5 O9.67
Calculated formula	C12 H25.33 Cl1.5 Co N4 Na0.5 O9.665
Title of publication	Bowl adamanzanes‒bicyclic tetraamines: syntheses and crystal structures of complexes with cobalt(III) and chelating coordinated oxo-anions.
Authors of publication	Broge, Louise; Søtofte, Inger; Jensen, Kristian; Jensen, Nicolai; Pretzmann, Ulla; Springborg, Johan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	34
Pages of publication	3826 - 3839
a	11.4032 ± 0.0006 Å
b	11.9183 ± 0.0006 Å
c	27.5618 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3745.8 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7005694.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005694.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005694.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005694.cif