Crystallography Open Database

Information card for entry 4122628

Preview

Coordinates	4122628.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	K2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)3
Formula	C12 H16 K2 O19 Zn2
Calculated formula	C12 K2 O19 Zn2
Title of publication	Proton conductivity control by ion substitution in a highly proton-conductive metal-organic framework.
Authors of publication	Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	38
Pages of publication	13166 - 13169
a	7.9038 ± 0.0006 Å
b	9.2715 ± 0.0007 Å
c	9.2904 ± 0.0007 Å
α	61.644 ± 0.001°
β	72.462 ± 0.001°
γ	82.794 ± 0.001°
Cell volume	571.14 ± 0.08 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0761
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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