Crystallography Open Database

Information card for entry 7215767

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Coordinates	7215767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 Br Cd N2 O10
Calculated formula	C19 H26 Br Cd N2 O10
Title of publication	Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters
Authors of publication	Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	5134
a	9.324 ± 0.002 Å
b	11.882 ± 0.003 Å
c	12.235 ± 0.003 Å
α	70.286 ± 0.01°
β	75.784 ± 0.012°
γ	68.281 ± 0.011°
Cell volume	1174.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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