Crystallography Open Database

Information card for entry 4067076

Preview

Coordinates	4067076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 I N2 Pt
Calculated formula	C14 H19 I N2 Pt
SMILES	[Pt]1(I)([n]2ccccc2c2[n]1cccc2)(C)(C)CC
Title of publication	Oxidative Addition of Ethyl Iodide to a Dimethylplatinum(II) Complex: Unusually Large Kinetic Isotope Effects and Their Transition-State Implications
Authors of publication	Nabavizadeh, S. Masoud; Habibzadeh, Sepideh; Rashidi, Mehdi; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6359
a	9.9002 ± 0.0003 Å
b	11.7696 ± 0.0004 Å
c	13.4227 ± 0.0004 Å
α	88.49 ± 0.002°
β	88.747 ± 0.002°
γ	85.119 ± 0.002°
Cell volume	1557.52 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0357
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178505 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/70.	4067076.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067076.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067076.cif
34074	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067076, 4067077, 4067078 via cif-deposit CGI script.	4067076.cif