Crystallography Open Database

Information card for entry 4072097

4072096 << 4072097 >> 4072098

Preview

Coordinates	4072097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 O2 Pt
Calculated formula	C16 H22 O2 Pt
SMILES	[Pt]1234(C(=O)O[C@H]5[C@@H]6CC[C@H]([C@@H]15)C6)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Pt]1234(C(=O)O[C@@H]5[C@H]6CC[C@@H]([C@H]15)C6)[CH]1=[CH]2CC[CH]3=[CH]4CC1
Title of publication	CO, Isocyanide, Alkene, and Alkyne Insertions into Platinaoxetane Pt−O Bonds
Authors of publication	Wu, Jianguo; Sharp, Paul R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	18
Pages of publication	4810
a	20.776 ± 0.002 Å
b	13.85 ± 0.0014 Å
c	11.4466 ± 0.0012 Å
α	90°
β	122.207 ± 0.001°
γ	90°
Cell volume	2786.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0452
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178609 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/20.	4072097.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072097.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072097.cif
44234	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072097 via cif-deposit CGI script.	4072097.cif