Crystallography Open Database

Information card for entry 4348982

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Coordinates	4348982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 B2 Cu2 N12
Calculated formula	C42 H32 B2 Cu2 N12
Title of publication	Mechanochromic Cu(i) boron imidazolate frameworks with low-dimensional structures and reducing function
Authors of publication	Zhang, De-Xiang; Zhang, Hai-Xia; Wen, Tian; Li, Dong-Sheng; Zhang, Jian
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	2
Pages of publication	263
a	10.4075 ± 0.0008 Å
b	11.0056 ± 0.0011 Å
c	18.3138 ± 0.0011 Å
α	76.021 ± 0.007°
β	80.764 ± 0.006°
γ	73.239 ± 0.007°
Cell volume	1939.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1738
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	0.856
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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