Crystallography Open Database

Information card for entry 7238505

Preview

Coordinates	7238505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H117 Cl2 Dy4 N40 O36
Calculated formula	C100 H117 Cl2 Dy4 N40 O36
Title of publication	Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation
Authors of publication	Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6983
a	14.7746 ± 0.0011 Å
b	20.9988 ± 0.0014 Å
c	26.1823 ± 0.0018 Å
α	100.806 ± 0.003°
β	98.196 ± 0.003°
γ	94.875 ± 0.003°
Cell volume	7845.2 ± 1 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	0.067
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244197 (current)	2019-11-28	cif/ Adding structures of 7238504, 7238505, 7238506, 7238507, 7238508, 7238509, 7238510, 7238511 via cif-deposit CGI script.	7238505.cif