Crystallography Open Database

Information card for entry 4001277

Preview

Coordinates	4001277.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TIF-5Zn
Chemical name	TIF-5Zn
Formula	C12 H18 N4 O3 Zn
Calculated formula	C12 H12 N4 O0.99 Zn
Title of publication	New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands
Authors of publication	Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	24
Pages of publication	7377
a	16.7862 ± 0.0002 Å
b	16.7862 ± 0.0002 Å
c	21.3384 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6012.66 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2741
Weighted residual factors for all reflections included in the refinement	0.2959
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001277.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001277.cif
41959	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001274, 4001275, 4001276, 4001277, 4001278 via cif-deposit CGI script.	4001277.cif