Crystallography Open Database

Information card for entry 4060212

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Coordinates	4060212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H56 Si Zr
Calculated formula	C60.5 H55.5 Si Zr
Title of publication	Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization
Authors of publication	Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	42 - 43
a	12.3585 ± 0.0001 Å
b	12.4741 ± 0.0002 Å
c	16.6548 ± 0.0003 Å
α	95.175 ± 0.001°
β	95.375 ± 0.001°
γ	113.504 ± 0.001°
Cell volume	2321.16 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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