Crystallography Open Database

Information card for entry 7705753

Preview

Coordinates	7705753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 B F3 N2 O Rh
Calculated formula	C24 H33 B F3 N2 O Rh
SMILES	[Rh]1234([O](C(CN5C=1N(C=C5)c1c(cc(cc1C)C)C)(C)C)[B](F)(F)F)[CH]1=[CH]4CC[CH]2=[CH]3CC1
Title of publication	A family of rhodium(i) NHC chelates featuring O-containing tethers for catalytic tandem alkene isomerization-hydrosilylation.
Authors of publication	Srivastava, Ravi; Jakoobi, Martin; Thieuleux, Chloé; Quadrelli, Elsje Alessandra; Camp, Clément
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	3
Pages of publication	869 - 879
a	7.6521 ± 0.0006 Å
b	12.0807 ± 0.0009 Å
c	14.3701 ± 0.001 Å
α	65.159 ± 0.007°
β	82.202 ± 0.006°
γ	83.726 ± 0.007°
Cell volume	1192.33 ± 0.17 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
261698 (current)	2021-02-05	cif/ Updating files of 7705753, 7705754, 7705755 Original log message: Adding full bibliography for 7705753--7705755.cif.	7705753.cif
259391	2020-12-01	cif/ Adding structures of 7705753, 7705754, 7705755 via cif-deposit CGI script.	7705753.cif