Crystallography Open Database

Information card for entry 1567485

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Coordinates	1567485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C143 H198 Dy6 N43 O75
Calculated formula	C143 H198 Dy6 N43 O75
SMILES	COc1cccc2c1O[Dy]1345([N](=C2)Nc2cc6[n](c[n]12)[Dy]127([N](=Cc8cccc(c8O7)OC)N6)(ON(=[O]2)=O)(Oc2c(cccc2/C=N/Nc2cc6[n](cn2)[Dy]278([N](=Cc9cccc(c9O8)OC)N6)([N](=Cc6cccc(c6O7)OC)Nc6cc(nc[n]26)N/N=C/c2cccc6c2O[Dy]278([N](=Cc9cccc(c9O7)OC)Nc7cc9[n](c[n]27)[Dy]27%10([N](=Cc%11cccc(c%11O%10)OC)N9)(ON(=O)=[O]7)(Oc7c(cccc7/C=N/Nc7cc9[n](cn7)[Dy]7%10%11([N](=Cc%12cccc(c%12O%11)OC)N9)([N](=Cc9cccc(c9O%10)OC)Nc9cc(nc[n]79)N/N=C/c7cccc(c7O5)[O]4C)([OH]C)[OH2])[O]2C)([OH2])[OH]C)([OH]C)(ON(=[O]8)=O)([OH2])[O]6C)([OH2])[OH2])[O]1C)([OH]C)[OH]C)(ON(=O)=[O]3)([OH]C)[OH]C.C(C)N(CC)CC.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O
Title of publication	Subcomponent self-assembly of circular helical Dy6(L)6 and bipyramid Dy12(L)8 architectures directed via second-order template effects
Authors of publication	Li, Xiao-Lei; Zhao, Lang; Wu, Jianfeng; Shi, Wei; Struch, Niklas; Lützen, Arne; Powell, Annie K.; Cheng, Peng; Tang, Jinkui
Journal of publication	Chemical Science
Year of publication	2022
a	25.48 ± 0.003 Å
b	23.024 ± 0.003 Å
c	39.629 ± 0.004 Å
α	90°
β	90.666 ± 0.002°
γ	90°
Cell volume	23247 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.1076
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
277260 (current)	2022-08-17	cif/ Adding structures of 1567485, 1567486 via cif-deposit CGI script.	1567485.cif