Crystallography Open Database

Information card for entry 7249531

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Coordinates	7249531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H50 N3 O6 Sm
Calculated formula	C61 H50 N3 O6 Sm
Title of publication	Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties
Authors of publication	Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	47
Pages of publication	6757 - 6764
a	9.552 ± 0.0002 Å
b	20.9501 ± 0.0005 Å
c	12.6405 ± 0.0003 Å
α	90°
β	93.56 ± 0.002°
γ	90°
Cell volume	2524.68 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.2166
Weighted residual factors for all reflections included in the refinement	0.2257
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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