Crystallography Open Database

Information card for entry 4001559

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Coordinates	4001559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 F9 La N2 O10
Calculated formula	C46 H46 F9 La N2 O10
SMILES	CCCC[NH+]=Cc1ccc(cc1O[La]123([O]=C(C=C(O2)c2ccccc2)C(F)(F)F)([O]=C(C=C(O1)c1ccccc1)C(F)(F)F)(Oc1cc(OC)ccc1C=[NH+]CCCC)OC(=[O]3)C(F)(F)F)OC
Title of publication	Lanthanide-Containing Metallomesogens with Low Transition Temperatures
Authors of publication	Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	16
Pages of publication	3698
a	15.1196 ± 0.0011 Å
b	18.5236 ± 0.001 Å
c	20.6386 ± 0.0012 Å
α	70.89 ± 0.003°
β	80.255 ± 0.004°
γ	66.575 ± 0.004°
Cell volume	5006.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0911
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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