Crystallography Open Database

Information card for entry 1560664

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Coordinates	1560664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H106 Cd2 Cl8 N24 O29 Pr
Calculated formula	C60 H72 Cd2 Cl8 N24 O23 Pr
Title of publication	Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand
Authors of publication	Zheng, Li-Mei; Liu, Jing-Xin
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	245
Pages of publication	45 - 49
a	19.079 ± 0.008 Å
b	21.41 ± 0.009 Å
c	23.413 ± 0.01 Å
α	90°
β	108.886 ± 0.012°
γ	90°
Cell volume	9049 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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