Crystallography Open Database

Information card for entry 4070817

Preview

Coordinates	4070817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.88 H43 B F3 N2 O Pt
Calculated formula	C25 H34 B F3 N2 O Pt
SMILES	[Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[O]([C@@H]1[C@H]2[C@H]2CC[C@@H]1C2)[B](F)(F)F.[Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[O]([C@H]1[C@@H]2[C@@H]2CC[C@H]1C2)[B](F)(F)F
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	30.3734 ± 0.0012 Å
b	10.4959 ± 0.0004 Å
c	23.0024 ± 0.0009 Å
α	90°
β	97.115 ± 0.001°
γ	90°
Cell volume	7276.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0507
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	4070817.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070817.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070817.cif
42722	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070815, 4070816, 4070817 via cif-deposit CGI script.	4070817.cif