Crystallography Open Database: Information card for 3000006

Structure parameters

Formula	C22 H32 N12 O10 Zn
Calculated formula	C22 H32 N12 O10 Zn
Title of publication	H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Authors of publication	Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
Journal of publication	Dalton Transactions
Year of publication	2012
Pages of publication	10390 - 10395
a	8.4575 ± 0.0007 Å
b	8.9798 ± 0.0011 Å
c	10.8612 ± 0.0008 Å
α	109.345 ± 0.001°
β	107.577 ± 0.001°
γ	101.978 ± 0.001°
Cell volume	697.24 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	P -1
Hall symmetry space group	-P 1
Residual factor for all reflections	0.0309
Residual factor for observed reflections	0.0303
Weighted residual factors for the observed reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for observed reflections	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database