Crystallography Open Database

Information card for entry 4070879

Preview

Coordinates	4070879.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cis-dibromo-cis(acetonitrile-nitrosyl)trans-tris(p-toluene)phosphine] rhenium
Formula	C44 H45 Br2 N2 O P2 Re
Calculated formula	C44 H45 Br2 N2 O P2 Re
Title of publication	Rhenium Nitrosyl Complexes for Hydrogenations and Hydrosilylations
Authors of publication	Choualeb, A.; Maccaroni, E.; Blacque, O.; Schmalle, H. W.; Berke, H.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	14
Pages of publication	3474
a	10.834 ± 0.0013 Å
b	12.5413 ± 0.0015 Å
c	15.6724 ± 0.0018 Å
α	79.551 ± 0.014°
β	86.688 ± 0.014°
γ	76.017 ± 0.014°
Cell volume	2031.9 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0577
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	0.817
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070879.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070879.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070879.cif
42818	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070877, 4070878, 4070879, 4070880 via cif-deposit CGI script.	4070879.cif