Crystallography Open Database

Information card for entry 7717419

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Coordinates	7717419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H125 N5 O4 P2 Sc2
Calculated formula	C91 H125 N5 O4 P2 Sc2
Title of publication	Reactions of a geminal Sc/P Lewis pair with pyridotetrazole and beyond.
Authors of publication	Guan, Yiwen; Xu, Xian; Xu, Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	54
Journal issue	1
Pages of publication	222 - 230
a	25.38 ± 0.007 Å
b	12.984 ± 0.003 Å
c	29.626 ± 0.007 Å
α	90°
β	113.566 ± 0.009°
γ	90°
Cell volume	8949 ± 4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.2115
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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