Crystallography Open Database

Information card for entry 4069796

Preview

Coordinates	4069796.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2D, (dtbpe)Pt(C6D5)D
Formula	C24 H40 D6 P2 Pt
Calculated formula	C24 H46 P2 Pt
SMILES	[PtH]1([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)c1ccccc1
Title of publication	Reactivity Differences of Pt0Phosphine Complexes in C−C Bond Activation of Asymmetric Acetylenes
Authors of publication	Gunay, Ahmet; Müller, Christian; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	22
Pages of publication	6524
a	11.0709 ± 0.0011 Å
b	15.399 ± 0.0016 Å
c	16.0805 ± 0.0016 Å
α	78.588 ± 0.001°
β	85.81 ± 0.001°
γ	72.44 ± 0.001°
Cell volume	2561.7 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	4069796.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069796.cif
40445	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069789, 4069790, 4069791, 4069792, 4069793, 4069794, 4069795, 4069796 via cif-deposit CGI script.	4069796.cif