Crystallography Open Database

Information card for entry 4334419

Preview

Coordinates	4334419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Br4 P2 Pt
Calculated formula	C32 H40 Br4 P2 Pt
SMILES	[Pt](Br)(Br)(Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc2c3ccc(Br)c4cccc(c34)c3cccc1c23
Title of publication	High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes
Authors of publication	Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4113 - 4119
a	10.113 ± 0.002 Å
b	27.024 ± 0.006 Å
c	11.881 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3247 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179447 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334419.cif
100238	2014-02-04	cif/ Adding structures of 4334419 via cif-deposit CGI script.	4334419.cif