Crystallography Open Database

Information card for entry 4109205

Preview

Coordinates	4109205.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SMK002
Chemical name	SMK002
Formula	C38 H46 N2 Pt
Calculated formula	C38 H46 N2 Pt
Title of publication	Competitive C-H Bond Activation and β-Hydride Elimination at Platinum(II)
Authors of publication	Susan M. Kloek; Karen I. Goldberg
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3460 - 3461
a	15.137 ± 0.0007 Å
b	9.235 ± 0.0002 Å
c	23.225 ± 0.001 Å
α	90°
β	91.05 ± 0.0014°
γ	90°
Cell volume	3246.1 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
178838 (current)	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 4/10/92.	4109205.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4109205.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109205.cif
57960	2012-05-23	cif/ Adding structures of 4109205 via cif-deposit CGI script.	4109205.cif