Crystallography Open Database

Information card for entry 7238504

Preview

Coordinates	7238504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H103 Cl2 La N21 O34.5
Calculated formula	C50 H60 Cl2 La N20 O13
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	36.256 ± 0.004 Å
b	54.989 ± 0.005 Å
c	16.0501 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	31999 ± 5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1931
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	7238504.cif