Crystallography Open Database

Information card for entry 4073431

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Coordinates	4073431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 Cl O2 P Ru
Calculated formula	C36 H46 Cl O2 P Ru
SMILES	[Ru]12(Cl)([P](c3c(O1)cccc3)(C(C)(C)C)c1ccccc1)=Cc1c([O]2C(C2CCCCC2)C2CCCCC2)cccc1
Title of publication	Mechanistically Designed Dual-Site Catalysts for the Alternating ROMP of Norbornene and Cyclooctene
Authors of publication	Bornand, Marc; Torker, Sebastian; Chen, Peter
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	14
Pages of publication	3585
a	16.7303 ± 0.0004 Å
b	11.6739 ± 0.0003 Å
c	17.8412 ± 0.0004 Å
α	90°
β	106.56 ± 0.001°
γ	90°
Cell volume	3339.99 ± 0.14 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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