Crystallography Open Database

Information card for entry 4086877

Preview

Coordinates	4086877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H31 B F15 N O3 P Rh
Calculated formula	C38 H31 B F15 N O3 P Rh
SMILES	[Rh]12345678([cH]9[cH]6[cH]8[c]1(C)[c]3([c]49C)N=P(OCC)(O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)OCC)[CH]1CC[CH]5=[CH]2CC[CH]7=1
Title of publication	Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand
Authors of publication	Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.
Journal of publication	Organometallics
Year of publication	2016
a	10.307 ± 0.003 Å
b	16.551 ± 0.004 Å
c	22.006 ± 0.005 Å
α	90°
β	94.23 ± 0.005°
γ	90°
Cell volume	3743.8 ± 1.7 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	8
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	0.0878
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
189677 (current)	2017-01-01	cif/ Adding structures of 4086869, 4086870, 4086871, 4086872, 4086873, 4086874, 4086875, 4086876, 4086877, 4086878 via cif-deposit CGI script.	4086877.cif