Crystallography Open Database

Information card for entry 7112148

Preview

Coordinates	7112148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N O4 Zn
Calculated formula	C15 H11 N O4 Zn
Title of publication	Solid-State Conversion of a MOF to a Metal-Organo Polymeric Framework (MOPF) via [2+2] Cycloaddition Reaction
Authors of publication	In-Hyeok Park; Anjana Chanthapally; Hyeong-Hwan Lee; Hong Sheng Quah; Shim Sung Lee; Jagadese J. Vittal
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3665
a	6.8414 ± 0.0001 Å
b	21.8416 ± 0.0004 Å
c	9.456 ± 0.0002 Å
α	90°
β	110.684 ± 0.001°
γ	90°
Cell volume	1321.91 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112148.cif
107448	2014-03-19	cif/ Adding structures of 7112148, 7112149 via cif-deposit CGI script.	7112148.cif