Crystallography Open Database

Information card for entry 2019821

2019820 << 2019821 >> 2019822

Preview

Coordinates	2019821.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium monohydrate
Formula	C9 H29 Cl3 O P3 Rh
Calculated formula	C9 H29 Cl3 O P3 Rh
SMILES	[Rh](Cl)(Cl)(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.O
Title of publication	Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs
Authors of publication	Merola, Joseph S.; Franks, Marion A.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2015
Journal volume	71
Journal issue	2
Pages of publication	226
a	15.865 ± 0.0012 Å
b	9.0396 ± 0.0003 Å
c	14.8223 ± 0.0018 Å
α	90°
β	120.82 ± 0.007°
γ	90°
Cell volume	1825.5 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019821.cif
130247	2015-02-01	cif/ hkl/ Adding structures of 2019821, 2019822 via cif-deposit CGI script.	2019821.cif