Crystallography Open Database

Information card for entry 4084929

Preview

Coordinates	4084929.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonag30
Chemical name	[Pt(dtbpe)]2(MeCC-CCMe)
Formula	C42 H86 P4 Pt2
Calculated formula	C42 H86 P4 Pt2
SMILES	[C]1(#[C](C)[Pt]21[P](C(C)(C)C)(C(C)(C)C)CC[P]2(C(C)(C)C)C(C)(C)C)[C]1#[C](C)[Pt]21[P](C(C)(C)C)(C(C)(C)C)CC[P]2(C(C)(C)C)C(C)(C)C
Title of publication	Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes
Authors of publication	Gunay, Ahmet; Brennessel, William W.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2233
a	20.245 ± 0.002 Å
b	8.2006 ± 0.0008 Å
c	28.514 ± 0.003 Å
α	90°
β	97.16 ± 0.001°
γ	90°
Cell volume	4697 ± 0.8 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178738 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/49.	4084929.cif
140222	2015-07-05	cif/ Updating files of 4084927, 4084928, 4084929, 4084930 Original log message: Adding full bibliography for 4084927--4084930.cif.	4084929.cif
128442	2014-12-06	cif/ Adding structures of 4084927, 4084928, 4084929, 4084930 via cif-deposit CGI script.	4084929.cif