Crystallography Open Database

Information card for entry 7717414

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Coordinates	7717414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H69 N3 O2 P Sc
Calculated formula	C56 H69 N3 O2 P Sc
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
Year of publication	2024
a	11.2105 ± 0.0004 Å
b	23.0554 ± 0.0009 Å
c	19.3556 ± 0.0007 Å
α	90°
β	97.052 ± 0.001°
γ	90°
Cell volume	4964.9 ± 0.3 Å³
Cell temperature	119.99 K
Ambient diffraction temperature	119.99 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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