Crystallography Open Database

Information card for entry 7230675

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Coordinates	7230675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H84 Cd Cl2 N8 O18
Calculated formula	C80 H64 Cd Cl2 N8 O18
Title of publication	Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D
Authors of publication	Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	24
Pages of publication	3297
a	9.4764 ± 0.0002 Å
b	18.9403 ± 0.0002 Å
c	22.154 ± 0.0003 Å
α	90°
β	91.056 ± 0.002°
γ	90°
Cell volume	3975.65 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.2026
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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