Crystallography Open Database

Information card for entry 7115717

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Coordinates	7115717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 N6 Zn
Calculated formula	C8 H13 N6 Zn
Title of publication	A new approach towards zeolitic tetrazolate-imidazolate frameworks (ZTIFs) with uncoordinated N-heteroatom sites for high CO2 uptake
Authors of publication	Fei Wang; Hong-Ru Fu; Yao Kang; Jian Zhang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	12065
a	29.3187 ± 0.0008 Å
b	29.3187 ± 0.0008 Å
c	29.3187 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	25201.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2642
Weighted residual factors for all reflections included in the refinement	0.2904
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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