Crystallography Open Database

Information card for entry 1563929

Preview

Coordinates	1563929.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PS009
Formula	C36 H56 B F4 P4 Rh
Calculated formula	C36 H56 B F4 P4 Rh
SMILES	[Rh]12([P]3([C@@H](CC[C@H]3C)C)c3ccccc3[P]31[C@H](C)CC[C@H]3C)[P]1([C@@H](CC[C@H]1C)C)c1c([P]32[C@H](C)CC[C@H]3C)cccc1.[B](F)(F)(F)[F-]
Title of publication	Oxidative addition of methylene chloride to Me-DuPhos complexes of palladium and rhodium
Authors of publication	Scheetz, Perry M.; Blank, Natalia F.; Gibbons, Sarah K.; Glueck, David S.; Rheingold, Arnold L.
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	111 - 115
a	14.7919 ± 0.0015 Å
b	15.2317 ± 0.0019 Å
c	16.8982 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3807.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
266990 (current)	2021-07-05	cif/ Adding structures of 1563929, 1563930 via cif-deposit CGI script.	1563929.cif