Crystallography Open Database

Information card for entry 7052991

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Coordinates	7052991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N8 O7 Zn2
Calculated formula	C16 H18 N8 O7 Zn2
Title of publication	Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids
Authors of publication	Lou, Benyong; He, Fengdan
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	2
Pages of publication	309
a	17.083 ± 0.002 Å
b	11.2862 ± 0.0009 Å
c	11.2092 ± 0.0015 Å
α	90°
β	106.755 ± 0.007°
γ	90°
Cell volume	2069.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.052
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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