Crystallography Open Database

Information card for entry 4339556

Preview

Coordinates	4339556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 Cl O5 P3 Rh
Calculated formula	C35 H41 Cl O5 P3 Rh
SMILES	C(O)[P]1(CO)CO[P](c2ccccc2)(c2ccccc2)[Rh]1(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CO.CO
Title of publication	Formation of a phosphine-phosphinite ligand in RhCl(PRR'2)[P,P-R'(R)POCH2P(CH2OH)2] and R'H from cis-RhCl(PRR'2)2[P(CH2OH)3] via P-C bond cleavage.
Authors of publication	Lorenzini, Fabio; Patrick, Brian O.; James, Brian R.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	21
Pages of publication	8998 - 9002
a	10.4723 ± 0.0011 Å
b	11.6071 ± 0.0013 Å
c	14.5877 ± 0.0015 Å
α	87.553 ± 0.006°
β	78.799 ± 0.005°
γ	83.749 ± 0.005°
Cell volume	1728.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0678
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
179498 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/95.	4339556.cif
117387	2014-06-14	cif/ Adding structures of 4339556 via cif-deposit CGI script.	4339556.cif