Crystallography Open Database

Information card for entry 4065904

Preview

Coordinates	4065904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H52 Cl O2 P Ru
Calculated formula	C39 H52 Cl O2 P Ru
SMILES	[Ru]12([P@](c3ccccc3)(c3ccccc3O1)C(C)(C)C(C)(C)C)(Cl)[O](c1c(C=2)cccc1)C(C1CCCCC1)C1CCCCC1
Title of publication	Tuning the Steric Properties of a Metathesis Catalyst for Copolymerization of Norbornene and Cyclooctene toward Complete Alternation
Authors of publication	Torker, Sebastian; Müller, Andre; Sigrist, Raphael; Chen, Peter
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2735
a	9.5062 ± 0.0002 Å
b	13.9783 ± 0.0003 Å
c	26.3393 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3499.98 ± 0.13 Å³
Cell temperature	173 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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