Crystallography Open Database

Information card for entry 7031782

Preview

Coordinates	7031782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cl N O P2 Ru
Calculated formula	C36 H36 Cl N O P2 Ru
SMILES	[RuH]12(Cl)([P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si).
Authors of publication	Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	39
Pages of publication	14625 - 14635
a	29.3801 ± 0.0018 Å
b	12.5765 ± 0.0008 Å
c	33.827 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	12499 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180023 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17.	7031782.cif
124736	2014-10-06	cif/ Updating files of 7031782, 7031783 Original log message: Adding full bibliography for 7031782--7031783.cif.	7031782.cif
120912	2014-07-30	cif/ Adding structures of 7031782, 7031783 via cif-deposit CGI script.	7031782.cif