Crystallography Open Database

Information card for entry 7108597

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Coordinates	7108597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 N13 Zn
Calculated formula	C6 H8 N12.9933 Zn
Title of publication	Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites
Authors of publication	Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	11395
a	17.0641 ± 0.0019 Å
b	17.0641 ± 0.0019 Å
c	17.0641 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4968.8 ± 1 Å³
Cell temperature	118 ± 2 K
Ambient diffraction temperature	118 ± 2 K
Number of distinct elements	4
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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