Crystallography Open Database

Information card for entry 4033186

Preview

Coordinates	4033186.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'compound [RhCl(7a)]2'
Formula	C41 H38 Cl4 Rh2
Calculated formula	C41 H38 Cl4 Rh2
Title of publication	Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.
Authors of publication	Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	24
Pages of publication	13468 - 13480
a	21.865 ± 0.0013 Å
b	11.0751 ± 0.0008 Å
c	14.5182 ± 0.001 Å
α	90°
β	91.754 ± 0.002°
γ	90°
Cell volume	3514 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
204805 (current)	2018-01-06	cif/ Updating files of 4033184, 4033185, 4033186, 4033187 Original log message: Adding full bibliography for 4033184--4033187.cif.	4033186.cif
203429	2017-11-22	cif/ Adding structures of 4033186 via cif-deposit CGI script.	4033186.cif