Crystallography Open Database: Information card for 3000004

Structure parameters

Formula	C22 H32 Mn N12 O10
Calculated formula	C22 H32 Mn N12 O10
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	8.557 ± 0.0012 Å
b	9.1663 ± 0.0013 Å
c	10.95 ± 0.0015 Å
α	108.647 ± 0.002°
β	108.125 ± 0.002°
γ	101.431 ± 0.002°
Cell volume	729.94 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0419
Residual factor for observed reflections	0.0386
Weighted residual factors for the observed reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for observed reflections	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database