Crystallography Open Database

Information card for entry 4074554

Preview

Coordinates	4074554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N3 O Pt
Calculated formula	C22 H29 N3 O Pt
SMILES	[Pt]12([N](=Nc3c(O1)ccc(C)c3)c1c(cccc1C)C)[N](C=CC2)(CC)CC
Title of publication	Unusual Transformation of Trialkylamines Mediated by Platinum
Authors of publication	Halder, Sarmistha; Drew, Michael G. B.; Bhattacharya, Samaresh
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	26
Pages of publication	5969
a	7.941 ± 0.009 Å
b	9.115 ± 0.012 Å
c	16.865 ± 0.017 Å
α	81.037 ± 0.01°
β	88.203 ± 0.01°
γ	69.624 ± 0.01°
Cell volume	1130 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0444
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
178634 (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 4/07/45.	4074554.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074554.cif
87351	2013-08-12	smi/4: Adding SMILES for purely organic compounds (no brackets) in subdir 4	4074554.cif
48444	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074554 via cif-deposit CGI script.	4074554.cif