Crystallography Open Database

Information card for entry 7110826

Preview

Coordinates	7110826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 Cl5 Cu Dy N10 O12
Calculated formula	C41 H43 Cl5 Cu Dy N10 O12
SMILES	[Dy]123456([O]7[Cu]89%10%11[O]1c1c%12cc(Cl)cc1C=[N]%10CCN1CC[N]%11=Cc%10c7c(cc(Cl)c%10)C=[N]6CC[N]4(CC[N]5=C%12)CC[N]2=Cc2c([O]39)c(cc(Cl)c2)C=[N]8CC1)[O]=CN(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
Title of publication	Synthesis and crystal structure of the first d‒f heterodinuclear Dy(iii)‒Cu(ii) cryptate
Authors of publication	Chen, Qiu-Yun; Luo, Qin-Hui; Wang, Zhi-Lin; Chen, Jiu-Tong
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	12
Pages of publication	1033
a	19.6358 ± 0.0007 Å
b	11.8049 ± 0.0004 Å
c	21.5544 ± 0.0008 Å
α	90°
β	98.26°
γ	90°
Cell volume	4944.5 ± 0.3 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 significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110826.cif
95946	2014-01-28	cif/ Adding structures of 7110826 via cif-deposit CGI script.	7110826.cif