Crystallography Open Database

Information card for entry 4069726

Preview

Coordinates	4069726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H62 Ir N2 P Si
Calculated formula	C45 H62 Ir N2 P Si
SMILES	[IrH2]1([Si](c2ccccc2)(c2ccccc2)c2ccccc2)([P](C(C)C)(C(C)C)C(C)C)[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	11.5586 ± 0.0012 Å
b	14.1276 ± 0.0015 Å
c	14.3364 ± 0.0015 Å
α	94.246 ± 0.002°
β	104.751 ± 0.001°
γ	109.754 ± 0.001°
Cell volume	2097.5 ± 0.4 Å³
Cell temperature	151 ± 2 K
Ambient diffraction temperature	151 ± 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	0.0263
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4069726.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069726.cif
40413	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069726 via cif-deposit CGI script.	4069726.cif