Crystallography Open Database

Information card for entry 7046908

Preview

Coordinates	7046908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H50 B2 N12 P2 Rh2
Calculated formula	C55 H50 B2 N12 P2 Rh2
SMILES	[Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)=C=[Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1
Title of publication	Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.
Authors of publication	Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	29
Pages of publication	9570 - 9574
a	18.8404 ± 0.0003 Å
b	13.263 ± 0.0002 Å
c	11.703 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2924.35 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0552
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
229165 (current)	2019-11-17	cif/ Updating files of 7046906, 7046907, 7046908, 7046909, 7046910 Original log message: Adding full bibliography for 7046906--7046910.cif.	7046908.cif
208731	2018-06-29	cif/ Adding structures of 7046906, 7046907, 7046908, 7046909, 7046910 via cif-deposit CGI script.	7046908.cif