Crystallography Open Database

Information card for entry 4349157

Preview

Coordinates	4349157.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonyj41
Chemical name	Tp'Rh(PMe3)(OMe)Br
Formula	C18 H32 B Br0.86 Cl0.14 N6 O0.86 P Rh
Calculated formula	C18 H32.0002 B Br0.8537 Cl0.146 N6 O0.8542 P Rh
Title of publication	Determination of Rhodium-Alkoxide Bond Strengths in Tp'Rh(PMe3)(OR)H.
Authors of publication	Yuwen, Jing; Jiao, Yunzhe; Brennessel, William W.; Jones, William D.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	18
Pages of publication	9482 - 9491
a	10.983 ± 0.0007 Å
b	16.819 ± 0.001 Å
c	13.3838 ± 0.0008 Å
α	90°
β	111.637 ± 0.001°
γ	90°
Cell volume	2298.1 ± 0.2 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233637 (current)	2019-11-23	cif/ Adding structures of 4349156, 4349157 via cif-deposit CGI script.	4349157.cif