Crystallography Open Database

Information card for entry 7050405

Preview

Coordinates	7050405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H76 N P3 Ru Si2
Calculated formula	C48 H75 N P3 Ru Si2
SMILES	[Ru]12([P](C3CCCCC3)(C3CCCCC3)C[Si](C)(C)N1[Si](C)(C)C[P]2(C1CCCCC1)C1CCCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Amido/phosphine pincer hydrides of ruthenium
Authors of publication	Lori A. Watson; Joseph N. Coalter III; Oleg Ozerov; Maren Pink; John C. Huffman; Kenneth G. Caulton
Journal of publication	New J. Chem.
Year of publication	2003
Journal volume	27
Journal issue	2
Pages of publication	263 - 273
a	11.0831 ± 0.0004 Å
b	12.6428 ± 0.0005 Å
c	18.4421 ± 0.0007 Å
α	88.638 ± 0.0011°
β	88.8047 ± 0.0011°
γ	68.2782 ± 0.0012°
Cell volume	2399.76 ± 0.16 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0379
Goodness-of-fit parameter for all reflections included in the refinement	0.7811
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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