Crystallography Open Database

Information card for entry 7202281

7202280 << 7202281 >> 7202282

Preview

Coordinates	7202281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N3 O4 Zn
Calculated formula	C15 H13 N3 O4 Zn
Title of publication	An acentric parallel interpenetrated dual-ligand zinc coordination polymer from an in situ terminal-to-internal alkene rearrangement
Authors of publication	Brown, Kyalamboka A.; Martin, David P.; LaDuca, Robert L.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	10
Pages of publication	1305
a	16.846 ± 0.01 Å
b	16.926 ± 0.01 Å
c	11.193 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3192 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180353 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/22.	7202281.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202281.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202281.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202281.cif