Crystallography Open Database

Information card for entry 4107590

Preview

Coordinates	4107590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36
Calculated formula	C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36
Title of publication	Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands
Authors of publication	Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3768 - 3770
a	18.761 ± 0.004 Å
b	18.761 ± 0.004 Å
c	18.761 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6603 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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