Crystallography Open Database

Information card for entry 4508286

Preview

Coordinates	4508286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 Mn4 N2 O22
Calculated formula	C40 H54 Mn4 N2 O22
Title of publication	A Benzaldehyde Derivative as a Chelating Ligand: Helical Manganese(II) Coordination Polymers Assembling into a Porous Solid
Authors of publication	Dulcevscaia, Galina; Liu, Shi-Xia; Hauser, Jörg; Krämer, Karl W.; Frei, Gabriela; Müller, Andreas; Decurtins, Silvio
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	9
Pages of publication	4138
a	46.2653 ± 0.0005 Å
b	46.2653 ± 0.0005 Å
c	15.95404 ± 0.00018 Å
α	90°
β	90°
γ	120°
Cell volume	29574.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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