Crystallography Open Database

Information card for entry 7018155

Preview

Coordinates	7018155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 N2 Pt
Calculated formula	C31 H34 N2 Pt
SMILES	[Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)c1c(cccc1)Cc1c2cccc1
Title of publication	Photophysical properties of 4,4'-di-tert-butyl-2,2'-bipyridine supported 6-membered 2,2'-diphenyl-X platinacycles (X = CH(2), NMe, O).
Authors of publication	Robinson, Robert; Karikachery, Alice Raphael; Sharp, Paul R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	9
Pages of publication	2601 - 2611
a	27.419 ± 0.004 Å
b	27.419 ± 0.004 Å
c	14.0279 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	10546 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179885 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81.	7018155.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018155.cif
37667	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018155, 7018156 via cif-deposit CGI script.	7018155.cif