Crystallography Open Database

Information card for entry 7057781

Preview

Coordinates	7057781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N4 O2
Calculated formula	C12 H18 N4 O2
Title of publication	Solution behavior and magnetic properties of a novel nonanuclear copper(ii) cluster
Authors of publication	Ji, Bao-Qian; Jagodič, Marko; Ma, Hui-Yan; Su, Hai-Feng; Li, Yun-Wu; Tung, Chen-Ho; Sun, Di
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	22
Pages of publication	17884
a	9.2 ± 0.03 Å
b	6.33 ± 0.019 Å
c	11.25 ± 0.03 Å
α	90°
β	108.39 ± 0.03°
γ	90°
Cell volume	622 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1616
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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