Crystallography Open Database

Information card for entry 7000377

Preview

Coordinates	7000377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 O4 Zn
Calculated formula	C12 H12 O4 Zn
Title of publication	A new luminescent 3D metal‒organic framework possessing a rare (3,5)-connected net which can be transformed from a 2D double layer
Authors of publication	He, Haiyan; Dai, Fangna; Sun, Daofeng
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	5
Pages of publication	763 - 766
a	8.813 ± 0.001 Å
b	16.3419 ± 0.0018 Å
c	17.301 ± 0.002 Å
α	90°
β	103.185 ± 0.002°
γ	90°
Cell volume	2426 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179681 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03.	7000377.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000377.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000377.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000377.cif