Crystallography Open Database

Information card for entry 1500029

Preview

Coordinates	1500029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Cu N14 O6
Calculated formula	C16 H32 Cu N14 O6
SMILES	[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.O=C1N(C(=O)n(C)c2nn[n-]c12)C.O.O=C1N(C)c2nn[n-]c2C(=O)N1C.O
Authors of publication	Carmen R. Maldonado; Miguel Quirós; Juan M. Salas
Journal of publication	Polyhedron
Year of publication	2010
Journal volume	29
Pages of publication	372 - 378
a	7.5499 ± 0.0006 Å
b	8.1885 ± 0.0006 Å
c	10.9247 ± 0.0009 Å
α	108.819 ± 0.001°
β	96.302 ± 0.001°
γ	97.634 ± 0.001°
Cell volume	625.18 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0311
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
176729 (current)	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.	1500029.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1500029.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1500029.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	1500029.cif