Crystallography Open Database

Information card for entry 4070815

Preview

Coordinates	4070815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 B F3 O Pt
Calculated formula	C15 H22 B F3 O Pt
SMILES	[Pt]1234([O]([C@@H]5[C@H]1[C@H]1CC[C@@H]5C1)[B](F)(F)F)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Pt]1234([O]([C@H]5[C@@H]1[C@@H]1CC[C@H]5C1)[B](F)(F)F)[CH]1=[CH]2CC[CH]3=[CH]4CC1
Title of publication	A Family of Platinaoxetanes
Authors of publication	Wu, Jianguo; Sharp, Paul R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1234
a	13.6535 ± 0.0006 Å
b	11.685 ± 0.0005 Å
c	18.6671 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2978.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178597 (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 4/07/08.	4070815.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070815.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070815.cif
42722	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070815, 4070816, 4070817 via cif-deposit CGI script.	4070815.cif