Crystallography Open Database

Information card for entry 7209509

7209508 << 7209509 >> 7209510

Preview

Coordinates	7209509.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diimidazolatozinc(ii)
Chemical name	diimidazolatozinc(II)
Formula	C17 H17 N9 Zn2
Calculated formula	C17 H17 N9 Zn2
Title of publication	Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory
Authors of publication	Schröder, Christian A.; Baburin, Igor A.; van Wüllen, Leo; Wiebcke, Michael; Leoni, Stefano
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	20
Pages of publication	4036
a	18.5049 ± 0.0001 Å
b	23.8735 ± 0.0002 Å
c	9.3156 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4115.42 ± 0.06 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180426 (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 7/20/95.	7209509.cif
86004	2013-05-09	cif/ Adding structures of 7209509 via cif-deposit CGI script.	7209509.cif