Crystallography Open Database

Information card for entry 4075826

Preview

Coordinates	4075826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H46 Br2 N4 O Pt
Calculated formula	C28 H46 Br2 N4 O Pt
SMILES	[Pt]12([N](Cc3c1cc(c(Br)c3)CN(C)C)(C)C)[N](Cc1c2cc(c(Br)c1)CN(C)C)(C)C.O(CC)CC
Title of publication	Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes
Authors of publication	Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2944
a	11.254 ± 0.0001 Å
b	13.4683 ± 0.0001 Å
c	20.6529 ± 0.0002 Å
α	90°
β	100.32 ± 0.0004°
γ	90°
Cell volume	3079.77 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
178647 (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 4/07/58.	4075826.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075826.cif
50689	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075826, 4075827, 4075828, 4075829 via cif-deposit CGI script.	4075826.cif