Crystallography Open Database

Information card for entry 7153975

Preview

Coordinates	7153975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 N2 O3 P Ru
Calculated formula	C20 H29 N2 O3 P Ru
SMILES	c1cn(c2C[P](C3CCCCC3)(C3CCCCC3)[Ru](C#[O])(C#[O])(C#[O])[n]12)C
Title of publication	Novel ruthenium-catalyst for hydroesterification of olefins with formates.
Authors of publication	Profir, Irina; Beller, Matthias; Fleischer, Ivana
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	36
Pages of publication	6972 - 6976
a	12.1519 ± 0.0004 Å
b	13.1631 ± 0.0004 Å
c	13.3186 ± 0.0004 Å
α	90°
β	99.585 ± 0.001°
γ	90°
Cell volume	2100.66 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0195
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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