Crystallography Open Database

Information card for entry 4070816

Preview

Coordinates	4070816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46 B F3 O P2 Pt
Calculated formula	C25 H46 B F3 O P2 Pt
SMILES	[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)[O]([C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[B](F)(F)F.c1ccccc1.[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)[O]([C@@H]2[C@H]1[C@H]1CC[C@@H]2C1)[B](F)(F)F.c1ccccc1
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	9.8764 ± 0.0011 Å
b	21.34 ± 0.002 Å
c	13.5382 ± 0.0014 Å
α	90°
β	93.188 ± 0.002°
γ	90°
Cell volume	2848.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0308
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0436
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4070816.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070816.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070816.cif
42722	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070815, 4070816, 4070817 via cif-deposit CGI script.	4070816.cif