Crystallography Open Database

Information card for entry 7207279

7207278 << 7207279 >> 7207280

Preview

Coordinates	7207279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 O5.5 Zn
Calculated formula	C17 H9 O4 Zn
Title of publication	Near-critical water, a cleaner solvent for the synthesis of a metal‒organic framework
Authors of publication	Ibarra, Ilich A.; Bayliss, Peter A.; Pérez, Eduardo; Yang, Sihai; Blake, Alexander J.; Nowell, Harriott; Allan, David R.; Poliakoff, Martyn; Schröder, Martin
Journal of publication	Green Chemistry
Year of publication	2012
Journal volume	14
Journal issue	1
Pages of publication	117
a	31.97 ± 0.04 Å
b	6.334 ± 0.009 Å
c	20.49 ± 0.03 Å
α	90°
β	120.078 ± 0.013°
γ	90°
Cell volume	3590 ± 9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.194
Residual factor for significantly intense reflections	0.137
Weighted residual factors for significantly intense reflections	0.348
Weighted residual factors for all reflections included in the refinement	0.409
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180403 (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 7/20/72.	7207279.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207279.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207279.cif
33502	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7207279 via cif-deposit CGI script.	7207279.cif