Crystallography Open Database

Information card for entry 4069179

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Structure parameters

Formula	C38 H58 P2 Pt Si4
Calculated formula	C38 H58 P2 Pt Si4
SMILES	[Pt]([P]12C(=C(C(C(=C1[Si](C)(C)C)C)c1c2cccc1)C)[Si](C)(C)C)[P]12C(=C(C(C(=C1[Si](C)(C)C)C)c1c2cccc1)C)[Si](C)(C)C
Title of publication	A 14-VE Platinum(0) Phosphabarrelene Complex in the Hydrosilylation of Alkynes
Authors of publication	Blug, Matthias; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2360
a	10.333 ± 0.001 Å
b	18.871 ± 0.001 Å
c	43.48 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8478.3 ± 1 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4069179.cif
178580	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 4/06/91.	4069179.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069179.cif
40165	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069178, 4069179 via cif-deposit CGI script.	4069179.cif