Crystallography Open Database

Information card for entry 4085793

Preview

Coordinates	4085793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 O P2 Rh
Calculated formula	C33 H45 O P2 Rh
SMILES	[Rh]12([P](c3c4[O]2c2c(C(c4ccc3)(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1ccccc1
Title of publication	POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation
Authors of publication	Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	10
Pages of publication	1911
a	12.2682 ± 0.0009 Å
b	13.4969 ± 0.001 Å
c	19.9489 ± 0.0015 Å
α	91.56 ± 0.001°
β	107.361 ± 0.001°
γ	104.326 ± 0.001°
Cell volume	3036.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4085793.cif
140182	2015-07-05	cif/ Updating files of 4085793, 4085794, 4085795, 4085796, 4085797 Original log message: Adding full bibliography for 4085793--4085797.cif.	4085793.cif
136833	2015-05-18	cif/ Adding structures of 4085793, 4085794, 4085795, 4085796, 4085797 via cif-deposit CGI script.	4085793.cif