Crystallography Open Database

Information card for entry 4327459

Preview

Coordinates	4327459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 F6 I2 N6 P Rh
Calculated formula	C13 H16 F6 I2 N6 P Rh
SMILES	[P](F)(F)(F)(F)(F)[F-].I[Rh]1(I)([N]#CC)(=C2N(C)C=CN2CN2C=1N(C)C=C2)[N]#CC
Title of publication	New Rh(I) and Rh(III) Bisimidazol-2-ylidene Complexes: Synthesis, Reactivity, and Molecular Structures
Authors of publication	Macarena Poyatos; Mercedes Sanaú; Eduardo Peris
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	2572 - 2576
a	20.607 ± 0.006 Å
b	11.779 ± 0.004 Å
c	11.662 ± 0.004 Å
α	90°
β	120.138 ± 0.007°
γ	90°
Cell volume	2448.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.2186
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.3016
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4327459.html