Crystallography Open Database

Information card for entry 7005896

Preview

Coordinates	7005896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H18 Cl O7 P2 Rh
Calculated formula	C7 H18 Cl O7 P2 Rh
SMILES	C(O)[P](CO)(CO)[Rh](C#[O])([P](CO)(CO)CO)Cl
Title of publication	Synthesis and X-ray structures of water-soluble tris(hydroxymethyl)phosphine complexes of rhodium(I).
Authors of publication	Lorenzini, Fabio; Patrick, Brian O.; James, Brian R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	30
Pages of publication	3224 - 3226
a	6.1225 ± 0.0007 Å
b	7.656 ± 0.001 Å
c	15.582 ± 0.002 Å
α	90.676 ± 0.005°
β	91.539 ± 0.005°
γ	98.235 ± 0.005°
Cell volume	722.51 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179762 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/58.	7005896.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005896.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005896.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005896.cif