Crystallography Open Database

Information card for entry 7717418

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Coordinates	7717418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H72 N4 O2 P Sc
Calculated formula	C53 H72 N4 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	10.126 ± 0.0005 Å
b	22.6532 ± 0.0011 Å
c	21.7871 ± 0.0011 Å
α	90°
β	101.164 ± 0.002°
γ	90°
Cell volume	4903.1 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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