Crystallography Open Database

Information card for entry 7024459

Preview

Coordinates	7024459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 N2 O4 Zn
Calculated formula	C5 H4 N2 O4 Zn
Title of publication	The use of ionic liquids in the synthesis of zinc imidazolate frameworks.
Authors of publication	Martins, Gesley A. V.; Byrne, Peter J.; Allan, Phoebe; Teat, Simon J.; Slawin, Alexandra M. Z.; Li, Yang; Morris, Russell E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	7
Pages of publication	1758 - 1762
a	8.1997 ± 0.0022 Å
b	9.3759 ± 0.0023 Å
c	8.424 ± 0.0023 Å
α	90 ± 0°
β	93.1848 ± 0.007°
γ	90 ± 0°
Cell volume	646.6 ± 0.3 Å³
Cell temperature	125.15 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.258
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179949 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44.	7024459.cif
92508	2014-01-12	cif/ Adding structures of 7024459, 7024460, 7024461, 7024462 via cif-deposit CGI script.	7024459.cif