Crystallography Open Database

Information card for entry 4070880

Preview

Coordinates	4070880.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[trans(ethylene-hydrido)-trans(nitrosyl-tetrafluoroborane)- trans-bis(tricyclohexylphosphine)rhenium] toluene solvate
Formula	C83 H150 B2 F8 N2 O2 P4 Re2
Calculated formula	C83 H150 B2 F8 N2 O2 P4 Re2
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	35.9176 ± 0.0015 Å
b	12.8715 ± 0.0006 Å
c	18.6666 ± 0.0007 Å
α	90°
β	99.542 ± 0.005°
γ	90°
Cell volume	8510.4 ± 0.6 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	0.729
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
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.	4070880.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070880.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070880.cif
42818	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070877, 4070878, 4070879, 4070880 via cif-deposit CGI script.	4070880.cif