Crystallography Open Database

Information card for entry 7112149

Preview

Coordinates	7112149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N O4.5 Zn
Calculated formula	C15 H11 N O4.5 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	7.3685 ± 0.0018 Å
b	22.092 ± 0.004 Å
c	9.448 ± 0.002 Å
α	90°
β	111.283 ± 0.01°
γ	90°
Cell volume	1433.1 ± 0.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112149.cif
107448	2014-03-19	cif/ Adding structures of 7112148, 7112149 via cif-deposit CGI script.	7112149.cif