Crystallography Open Database

Information card for entry 4074361

Preview

Coordinates	4074361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H41 Cl N O2 P2 Rh
Calculated formula	C44 H41 Cl N O2 P2 Rh
SMILES	c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Rh]12([N](c3c(cccc3)[P]1(c1ccccc1)c1ccccc1)(C)C)(Cl)OO2.c1ccccc1
Title of publication	Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands
Authors of publication	Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	20
Pages of publication	4870
a	10.7428 ± 0.0008 Å
b	12.6053 ± 0.0012 Å
c	28.474 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3855.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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/4074361.html