Crystallography Open Database

Information card for entry 4078253

Preview

Coordinates	4078253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 Cl2 N2 O2 Ru
Calculated formula	C38 H46 Cl2 N2 O2 Ru
SMILES	C1(N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ru]1(=Cc2c(c3ccccc3cc2[O]1C(C)C)OC(C)C)(Cl)Cl
Title of publication	Synthesis and Properties of Bimetallic Hoveyda‒Grubbs Metathesis Catalysts
Authors of publication	Grudzień, Krzysztof; Malinska, Maura; Barbasiewicz, Michał
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	9
Pages of publication	3636
a	36.8474 ± 0.001 Å
b	70.458 ± 0.002 Å
c	11.8778 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	30837.1 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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