Crystallography Open Database

Information card for entry 4114400

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Coordinates	4114400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 N O Zr
Calculated formula	C21 H29 N O Zr
Title of publication	Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes
Authors of publication	Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14276 - 14277
a	9.88 ± 0.001 Å
b	24.145 ± 0.003 Å
c	8.214 ± 0.001 Å
α	90°
β	108.288 ± 0.002°
γ	90°
Cell volume	1860.5 ± 0.4 Å³
Cell temperature	143.2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.0431
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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