Crystallography Open Database

Information card for entry 7231530

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Coordinates	7231530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cu N4 O4
Calculated formula	C20 H14 Cu N4 O4
Title of publication	Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching
Authors of publication	Behera, Jogendra Nath; Tiwari, Ranjay K.
Journal of publication	CrystEngComm
Year of publication	2018
a	18.8612 ± 0.0003 Å
b	18.8612 ± 0.0003 Å
c	17.5446 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	5405.21 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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