Crystallography Open Database

Information card for entry 4065903

Preview

Coordinates	4065903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Cl O2 P Ru
Calculated formula	C40 H55 Cl O2 P Ru
SMILES	[Ru]12(Cl)([P](c3ccccc3O1)(CC(C)(C)C)c1ccccc1)[O](c1ccccc1C=2)C(C1CCCCC1)C1CCCCC1.CCCCCC
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	12.1004 ± 0.0002 Å
b	35.0256 ± 0.0007 Å
c	19.1982 ± 0.0004 Å
α	90°
β	108.235 ± 0.0012°
γ	90°
Cell volume	7728 ± 0.3 Å³
Cell temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1437
Residual factor for significantly intense reflections	0.1052
Weighted residual factors for significantly intense reflections	0.28
Weighted residual factors for all reflections included in the refinement	0.297
Goodness-of-fit parameter for all reflections included in the refinement	1.734
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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