Crystallography Open Database

Information card for entry 7240343

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Coordinates	7240343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Cu N O13.75
Calculated formula	C12 H19 Cu N O13.75
Title of publication	Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers
Authors of publication	Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao
Journal of publication	CrystEngComm
Year of publication	2020
a	16.3837 ± 0.0003 Å
b	17.112 ± 0.0004 Å
c	13.3343 ± 0.0003 Å
α	90°
β	96.683 ± 0.001°
γ	90°
Cell volume	3712.97 ± 0.14 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	0.0929
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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