Crystallography Open Database

Information card for entry 4069724

Preview

Coordinates	4069724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H61 Cl Ir N2 P Si
Calculated formula	C45 H61 Cl Ir N2 P Si
SMILES	[IrH]1(Cl)([P](C(C)C)(C(C)C)C(C)C)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C
Title of publication	Synthesis and Reactivity of Iridium and Rhodium Silyl Complexes Supported by a Bipyridine Ligand
Authors of publication	McBee, Jennifer L.; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5072
a	12.8733 ± 0.0015 Å
b	13.0729 ± 0.0016 Å
c	15.3225 ± 0.0018 Å
α	82.509 ± 0.002°
β	67.561 ± 0.002°
γ	63.133 ± 0.002°
Cell volume	2123.4 ± 0.4 Å³
Cell temperature	161 ± 2 K
Ambient diffraction temperature	161 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
178586 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/97.	4069724.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069724.cif
40411	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069724 via cif-deposit CGI script.	4069724.cif