Crystallography Open Database

Information card for entry 4108782

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Structure parameters

Formula	C20 H24 F6 N2 O6 Pt S2
Calculated formula	C20 H24 F6 N2 O6 Pt S2
SMILES	[Pt]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Title of publication	Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer
Authors of publication	Jennifer L. McBee; Alexis T. Bell; T. Don Tilley
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	16562 - 16571
a	19.903 ± 0.003 Å
b	14.063 ± 0.002 Å
c	19.279 ± 0.003 Å
α	90°
β	100.987 ± 0.002°
γ	90°
Cell volume	5297.2 ± 1.4 Å³
Cell temperature	157 ± 2 K
Ambient diffraction temperature	157 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	0.788
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4108782.cif
178833	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87.	4108782.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108782.cif
57152	2012-05-17	cif/ Adding structures of 4108782 via cif-deposit CGI script.	4108782.cif