Crystallography Open Database

Information card for entry 4001275

Preview

Coordinates	4001275.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TIF-3
Chemical name	TIF-3
Formula	C9.13 H0 N4 Zn
Calculated formula	C9.125 N4 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	25.9164 ± 0.001 Å
b	24.8826 ± 0.001 Å
c	17.9542 ± 0.0006 Å
α	90°
β	93.206 ± 0.003°
γ	90°
Cell volume	11560 ± 0.8 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	0.1988
Residual factor for significantly intense reflections	0.127
Weighted residual factors for significantly intense reflections	0.3227
Weighted residual factors for all reflections included in the refinement	0.3615
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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