Crystallography Open Database

Information card for entry 4116856

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Coordinates	4116856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl2 S2 Si Zr
Calculated formula	C16 H16 Cl2 S2.76 Si Zr
Title of publication	Polymerization Catalysts with Cyclopentadienyl Ligands Ring-Fused to Pyrrole and Thiophene Heterocycles
Authors of publication	John A. Ewen; Robert L. Jones; Michael J. Elder; Arnold L. Rheingold; Louise M. Liable-Sands
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	10786 - 10787
a	31.6018 ± 0.0009 Å
b	20.734 ± 0.0006 Å
c	11.6986 ± 0.0003 Å
α	90°
β	98.4343 ± 0.0007°
γ	90°
Cell volume	7582.4 ± 0.4 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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