Crystallography Open Database

Information card for entry 7248844

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Coordinates	7248844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H51 Ho N2 O6
Calculated formula	C62 H51 Ho N2 O6
Title of publication	Two chiral lanthanide PrIII and HoIII complexes: NIR luminescent and nonlinear optical properties
Authors of publication	Peng, Yanhong; Wang, Taoyu; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li
Journal of publication	CrystEngComm
Year of publication	2024
a	9.5036 ± 0.0004 Å
b	20.7058 ± 0.0008 Å
c	12.7856 ± 0.0009 Å
α	90°
β	92.003 ± 0.005°
γ	90°
Cell volume	2514.4 ± 0.2 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	0.0376
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0432
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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