Crystallography Open Database

Information card for entry 7229372

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Coordinates	7229372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 N12 O13 Zn3
Calculated formula	C14 H6 N12 O13 Zn3
Title of publication	New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties
Authors of publication	Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng
Journal of publication	CrystEngComm
Year of publication	2017
a	14.1335 ± 0.0008 Å
b	7.9549 ± 0.0005 Å
c	20.8717 ± 0.0014 Å
α	90°
β	108.331 ± 0.001°
γ	90°
Cell volume	2227.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.0268
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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