Crystallography Open Database

Information card for entry 4119690

4119689 << 4119690 >> 4119691

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Coordinates	4119690.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-150
Formula	C18 H11 N2 O3 Zn
Calculated formula	C18 H11 N2 O3 Zn
Title of publication	Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework
Authors of publication	Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	6411 - 6414
a	26.5112 ± 0.0009 Å
b	26.5112 ± 0.0009 Å
c	5.2351 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3679.5 ± 0.2 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4119690.cif
103865	2014-03-07	cif/ Adding structures of 4119690 via cif-deposit CGI script.	4119690.cif