Crystallography Open Database

Information card for entry 4080672

Preview

Coordinates	4080672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Br N4 Pt
Calculated formula	C25 H25 Br N4 Pt
SMILES	[Pt]1(Br)([n]2ccccc2c2[n]1cccc2)(Cc1ccc(cc1)N=Nc1ccccc1)(C)C
Title of publication	Photoswitchable Organoplatinum(IV) Complexes
Authors of publication	Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2552
a	12.855 ± 0.0009 Å
b	24.0949 ± 0.0014 Å
c	7.6806 ± 0.0005 Å
α	90°
β	101.505 ± 0.003°
γ	90°
Cell volume	2331.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0426
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178695 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/06.	4080672.cif
87260	2013-07-14	cif/ Adding structures of 4080672, 4080673, 4080674, 4080675 via cif-deposit CGI script.	4080672.cif