Crystallography Open Database

Information card for entry 7250932

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Coordinates	7250932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H67 N4 O8 Tb
Calculated formula	C73 H67 N4 O8 Tb
Title of publication	Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands
Authors of publication	Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	44
Pages of publication	7213 - 7218
a	17.0372 ± 0.0003 Å
b	17.9771 ± 0.0004 Å
c	21.5515 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6600.8 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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