Crystallography Open Database

Information card for entry 7024925

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Coordinates	7024925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 N O18 Zn2
Calculated formula	C20 H27 N O18 Zn2
Title of publication	Anionic zinc-trimesic acid MOFs with unusual topologies: reversible hydration studies.
Authors of publication	Davies, Kate; Bourne, Susan A.; Ohrström, Lars; Oliver, Clive L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	11
Pages of publication	2869 - 2874
a	7.8334 ± 0.0001 Å
b	17.2763 ± 0.0004 Å
c	9.445 ± 0.0005 Å
α	90°
β	100.475 ± 0.002°
γ	90°
Cell volume	1256.91 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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