Crystallography Open Database

Information card for entry 7251889

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Coordinates	7251889.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sn4-boc
Formula	C54 H86 Cl2 N4 O14 Sn4
Calculated formula	C54 H86 Cl2 N4 O14 Sn4
Title of publication	Ligand Modification on Organotin-Oxo Clusters for Enhanced Third-Order Nonlinear Optical Response
Authors of publication	Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu
Journal of publication	CrystEngComm
Year of publication	2026
a	15.1734 ± 0.0002 Å
b	16.391 ± 0.0002 Å
c	27.2785 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6784.36 ± 0.16 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	6
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	0.0554
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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