Crystallography Open Database

Information card for entry 7717413

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Coordinates	7717413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H67 N O2 P Sc
Calculated formula	C52 H67 N 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 (Cambridge, England : 2003)
Year of publication	2024
Journal volume	54
Journal issue	1
Pages of publication	222 - 230
a	41.923 ± 0.003 Å
b	10.2466 ± 0.0005 Å
c	22.466 ± 0.0012 Å
α	90°
β	98.649 ± 0.005°
γ	90°
Cell volume	9540.9 ± 1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1115
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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