Crystallography Open Database

Information card for entry 7220135

7220134 << 7220135 >> 7220136

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Structure parameters

Formula	C19 H13 N7 O6 Zn
Calculated formula	C19 H13 N7 O6 Zn
SMILES	[Zn]12([n]3ccncc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2ccnc1)(ON(=O)=O)ON(=O)=O
Title of publication	Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies
Authors of publication	Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.
Journal of publication	RSC Adv.
Year of publication	2015
a	15.8793 ± 0.0019 Å
b	16.956 ± 0.002 Å
c	7.1252 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1918.5 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0186
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220135.cif
135730	2015-05-08	cif/ Adding structures of 7220134, 7220135, 7220136, 7220137, 7220138, 7220139 via cif-deposit CGI script.	7220135.cif