Crystallography Open Database

Information card for entry 4089335

Preview

Coordinates	4089335.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RuCp(PPh~2~NHPh)~2~Cl (1a)
Formula	C41 H37 Cl N2 P2 Ru
Calculated formula	C41 H37 Cl N2 P2 Ru
SMILES	[Ru]1234(Cl)([P](Nc5ccccc5)(c5ccccc5)c5ccccc5)([P](Nc5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]4[cH]3[cH]2[cH]15
Title of publication	Reactions of the Cationic Fragments [RuCp(PPh2NHR)2]+and [RuTp(PPh2NHR)2]+(R = Ph,n-Pr) with Alkynes: Formation of Four-Membered Azaphosphacarbenes
Authors of publication	Pavlik, Sonja; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3561
a	10.0363 ± 0.0006 Å
b	18.0314 ± 0.0011 Å
c	10.3864 ± 0.0006 Å
α	90°
β	113.968 ± 0.001°
γ	90°
Cell volume	1717.54 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0168
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
243613 (current)	2019-11-26	cif/ Adding structures of 4089335, 4089336, 4089337, 4089338, 4089339, 4089340, 4089341, 4089342, 4089343, 4089344 via cif-deposit CGI script.	4089335.cif