Crystallography Open Database

Information card for entry 7214053

Preview

Coordinates	7214053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N6 O6 Zn
Calculated formula	C16 H18 N6 O6 Zn
Title of publication	Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence
Authors of publication	Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	9
Pages of publication	1687
a	9.2209 ± 0.0011 Å
b	10.2628 ± 0.0012 Å
c	12.7492 ± 0.0015 Å
α	111.664 ± 0.001°
β	93.59 ± 0.001°
γ	112.631 ± 0.001°
Cell volume	1005 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0526
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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