Crystallography Open Database

Information card for entry 1514500

Preview

Coordinates	1514500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 Cu3 N8
Calculated formula	C26 H33 Cu3 N8
Title of publication	A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour
Authors of publication	Wang, Jun-Hao; Li, Mian; Li, Dan
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	4
Pages of publication	1793
a	11.4507 ± 0.0006 Å
b	11.6026 ± 0.0005 Å
c	13.2025 ± 0.0007 Å
α	65.36 ± 0.005°
β	71.368 ± 0.005°
γ	71.461 ± 0.004°
Cell volume	1475.62 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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