Crystallography Open Database

Information card for entry 7027462

Preview

Coordinates	7027462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 N2 O6 Pt
Calculated formula	C30 H40 N2 O6 Pt
SMILES	[Pt]1([n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C)(C#CC(=O)OC)(C)(C)C(=C\C(=O)OC)\C(=O)OC
Title of publication	Easy ring expansion and contraction in Pt‒Sn bonded metallacycles
Authors of publication	Janzen, Michael C.; Jenkins, Hilary A.; Jennings, Michael C.; Rendina, Louis M.; Puddephatt, Richard J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	11
Pages of publication	1713
a	10.2375 ± 0.0006 Å
b	16.035 ± 0.001 Å
c	18.8895 ± 0.0012 Å
α	90°
β	102.624 ± 0.003°
γ	90°
Cell volume	3025.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
179980 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/74.	7027462.cif
95396	2014-01-28	cif/ Adding structures of 7027461, 7027462, 7027463 via cif-deposit CGI script.	7027462.cif