Crystallography Open Database

Information card for entry 7047510

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Structure parameters

Formula	C62 H58 B4 N18 O Sc2
Calculated formula	C62 H58 B4 N18 O Sc2
Title of publication	Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.
Authors of publication	Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	38
Pages of publication	13680 - 13688
a	17.2544 ± 0.0003 Å
b	11.7447 ± 0.0002 Å
c	15.364 ± 0.0002 Å
α	90°
β	104.355 ± 0.001°
γ	90°
Cell volume	3016.27 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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