Crystallography Open Database

Information card for entry 7235546

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Coordinates	7235546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H75 B Cl N P4 Ru
Calculated formula	C80 H75 B Cl N P4 Ru
Title of publication	Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition
Authors of publication	Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	42
Pages of publication	21964
a	12.62 ± 0.005 Å
b	13.935 ± 0.005 Å
c	19.343 ± 0.005 Å
α	92.44 ± 0.005°
β	96.936 ± 0.005°
γ	94.388 ± 0.005°
Cell volume	3362 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1871
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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