Crystallography Open Database

Information card for entry 7000592

Preview

Coordinates	7000592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H33 P2 Rh
Calculated formula	C37 H33 P2 Rh
SMILES	[Rh]1234([P](c5ccccc5)(c5ccccc5)C=C)([P](c5ccccc5)(c5ccccc5)C=C)[cH]5[cH]1[cH]2[c]13[c]45cccc1
Title of publication	Synthesis and structure of indenyl rhodium(I) complexes containing unsaturated phosphines: catalyst precursors for alkene hydroboration
Authors of publication	Garon, Christian N.; McIsaac, Daniel I.; Vogels, Christopher M.; Decken, Andreas; Williams, Ian D.; Kleeberg, Christian; Marder, Todd B.; Westcott, Stephen A.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	9
Pages of publication	1624 - 1631
a	17.385 ± 0.004 Å
b	10.162 ± 0.002 Å
c	17.492 ± 0.004 Å
α	90°
β	103.055 ± 0.004°
γ	90°
Cell volume	3010.4 ± 1.1 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	4
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	0.0915
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7000592.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000592.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000592.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000592.cif