Crystallography Open Database

Information card for entry 7026814

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Structure parameters

Formula	C32 H24 Cu N6 O2
Calculated formula	C32 H24 Cu N6 O2
SMILES	c1ccc2c(c1)nc1c(c3ccc4C=[N](c5ccc(cc5)OC)[Cu]5([N](=Cc6ccc1n56)c1ccc(cc1)OC)n34)n2
Title of publication	A novel class of Cd(II), Hg(II) turn-on and Cu(II), Zn(II) turn-off Schiff base fluorescent probes.
Authors of publication	Hu, Yuan; Li, Qian-qian; Li, Hua; Guo, Qian-ni; Lu, Yun-guo; Li, Zao-ying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	47
Pages of publication	11344 - 11352
a	8.629 ± 0.0018 Å
b	16.338 ± 0.004 Å
c	20.422 ± 0.004 Å
α	67.414 ± 0.003°
β	80.191 ± 0.004°
γ	85.3 ± 0.004°
Cell volume	2619 ± 1 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	0.0821
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026814.cif
179974	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/68.	7026814.cif
93608	2014-01-13	cif/ Adding structures of 7026814, 7026815 via cif-deposit CGI script.	7026814.cif