Crystallography Open Database

Information card for entry 4318232

Preview

Coordinates	4318232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 Cl N2 O P Rh
Calculated formula	C26 H31 Cl N2 O P Rh
SMILES	[Rh]1(Cl)([P](CC([NH]1c1ccccc1)c1ccccc1)(c1ccccc1)CN(CC)CC)C#[O]
Title of publication	Synthesis, Coordination to Rh(I), and Hydroformylation Catalysis of New β-Aminophosphines Bearing a Dangling Nitrogen Group: An Unusual Inversion of a Rh-Coordinated P Center
Authors of publication	Jacques Andrieu; Philippe Richard; Jean-Michel Camus; Rinaldo Poli
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3876 - 3885
a	9.8922 ± 0.0001 Å
b	21.4323 ± 0.0003 Å
c	12.5571 ± 0.0002 Å
α	90°
β	106.622 ± 0.001°
γ	90°
Cell volume	2551.01 ± 0.06 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318232.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318232.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318232.cif
14596	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318232 via cif-deposit CGI script.	4318232.cif