Crystallography Open Database

Information card for entry 7036126

Preview

Coordinates	7036126.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}rhodium(I) dimer
Formula	C52 H50 F10 N3 O4 Rh2
Calculated formula	C52 H50 F10 N2 O2 Rh2
SMILES	[Rh]1234(OC(c5c(F)c(F)c(F)c(F)c5F)=[N](c5c(cccc5C(C)C)C(C)C)[Rh]567(OC(=[N]1c1c(cccc1C(C)C)C(C)C)c1c(F)c(F)c(F)c(F)c1F)[CH]1=[CH]6C6[CH]7=[CH]5C1C6)[CH]1=[CH]3C3[CH]4=[CH]2C1C3
Title of publication	Isocyanate deinsertion from κ(1)-O amidates: facile access to perfluoroaryl rhodium(i) complexes.
Authors of publication	Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	45
Pages of publication	19487 - 19493
a	18.4133 ± 0.0019 Å
b	13.6493 ± 0.0013 Å
c	20.839 ± 0.002 Å
α	90°
β	101.855 ± 0.003°
γ	90°
Cell volume	5125.7 ± 0.9 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
171158 (current)	2015-12-09	cif/ Updating files of 7036126, 7036127, 7036128, 7036129 Original log message: Adding full bibliography for 7036126--7036129.cif.	7036126.cif
153329	2015-08-11	cif/ Adding structures of 7036126, 7036127, 7036128, 7036129 via cif-deposit CGI script.	7036126.cif