Crystallography Open Database

Information card for entry 7053228

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Structure parameters

Formula	C35 H25 N3 O4 Zn
Calculated formula	C35 H25 N3 O4 Zn
SMILES	c12[n]([Zn]3([n]4c(c5cccc[n]35)cc(cc24)c2ccccc2)(OC(=O)c2ccccc2)OC(=O)c2ccccc2)cccc1
Title of publication	Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds
Authors of publication	Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	5
Pages of publication	1529
a	19.352 ± 0.004 Å
b	13.626 ± 0.003 Å
c	11.721 ± 0.002 Å
α	90°
β	107.01 ± 0.03°
γ	90°
Cell volume	2955.5 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0479
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7053228.cif
180086	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053228.cif
90698	2013-11-18	cif/ Adding structures of 7053228, 7053229, 7053230, 7053231, 7053232, 7053233 via cif-deposit CGI script.	7053228.cif