Crystallography Open Database

Information card for entry 4111470

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Coordinates	4111470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H41 N Sn Zr
Calculated formula	C39.5 H41 N Sn Zr
Title of publication	Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes
Authors of publication	Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	1752 - 1764
a	9.1388 ± 0.0005 Å
b	13.1102 ± 0.0007 Å
c	16.0211 ± 0.0009 Å
α	66.542 ± 0.001°
β	78.127 ± 0.001°
γ	82.211 ± 0.001°
Cell volume	1720.12 ± 0.16 Å³
Cell temperature	133.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.769
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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