Crystallography Open Database

Information card for entry 7246936

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Coordinates	7246936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27.8 N2 O10.9 Zn2
Calculated formula	C29 H27.8 N2 O10.9 Zn2
Title of publication	Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry
Authors of publication	Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	26
Pages of publication	3714 - 3717
a	9.1845 ± 0.0003 Å
b	9.9874 ± 0.0003 Å
c	18.5249 ± 0.0005 Å
α	79.721 ± 0.002°
β	86.064 ± 0.002°
γ	68.155 ± 0.003°
Cell volume	1551.94 ± 0.09 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2216
Weighted residual factors for all reflections included in the refinement	0.2374
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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