Crystallography Open Database

Information card for entry 2225894

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Structure parameters

Chemical name	{<i>N</i>-[(2-Oxido-1-naphthyl)methylidene]serinato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II)
Formula	C26 H19 Cu N3 O4
Calculated formula	C26 H19 Cu N3 O4
SMILES	[Cu]123([N]([C@H](C(=O)O2)CO)=Cc2c(O3)ccc3c2cccc3)[n]2cccc3c2c2[n]1cccc2cc3
Title of publication	{<i>N</i>-[(2-Oxido-1-naphthyl)methylidene]serinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
Authors of publication	Li, Jinghong; Guo, Zhenghua; Li, Lianzhi; Wang, Daqi
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	5
Pages of publication	m516
a	10.7302 ± 0.0012 Å
b	6.4687 ± 0.0006 Å
c	15.793 ± 0.0017 Å
α	90°
β	91.924 ± 0.001°
γ	90°
Cell volume	1095.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181179 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/58.	2225894.cif 2225894.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2225894.cif 2225894.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2225894.cif 2225894.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2225894.cif 2225894.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2225894.cif 2225894.hkl
1208	2010-06-08	hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition.	2225894.cif 2225894.hkl
1197	2010-06-06	cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory.	2225894.cif