Crystallography Open Database

Information card for entry 4068745

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Coordinates	4068745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H68 N6 O2 P2 Zr
Calculated formula	C60 H68 N6 O2 P2 Zr
Title of publication	Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization
Authors of publication	Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	1127
a	14.5531 ± 0.0004 Å
b	46.4608 ± 0.0013 Å
c	12.5768 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8503.8 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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