Crystallography Open Database

Information card for entry 4080674

Preview

Coordinates	4080674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 Br N4 O4 Pt
Calculated formula	C31 H33 Br N4 O4 Pt
SMILES	[Pt]1(Br)([n]2ccc(cc2c2[n]1ccc(c2)C(=O)OCC)C(=O)OCC)(C)(C)Cc1ccc(cc1)N=Nc1ccccc1
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	36.604 ± 0.003 Å
b	6.9477 ± 0.0006 Å
c	23.434 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5959.6 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.271
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.	4080674.cif
87260	2013-07-14	cif/ Adding structures of 4080672, 4080673, 4080674, 4080675 via cif-deposit CGI script.	4080674.cif