Crystallography Open Database

Information card for entry 7027268

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Structure parameters

Formula	C22 H18 F6 N6 O6 S2 Zn
Calculated formula	C22 H18 F6 N6 O6 S2 Zn
Title of publication	Blue luminescent zinc(II) complexes with polypyridylamine ligands: crystal structures and luminescence properties
Authors of publication	Ho, Kin-Ying; Yu, Wing-Yiu; Cheung, Kung-Kai; Che, Chi-Ming
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	10
Pages of publication	1581
a	16.393 ± 0.003 Å
b	8.897 ± 0.002 Å
c	19.61 ± 0.003 Å
α	90°
β	103.05 ± 0.02°
γ	90°
Cell volume	2786.2 ± 0.9 Å³
Cell temperature	301.2 K
Ambient diffraction temperature	301.2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.0824
Goodness-of-fit parameter for significantly intense reflections	2.9
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
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.	7027268.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027268.cif
95215	2014-01-28	cif/ Adding structures of 7027265, 7027266, 7027267, 7027268, 7027269, 7027270 via cif-deposit CGI script.	7027268.cif