Crystallography Open Database

Information card for entry 4334409

Preview

Coordinates	4334409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H37 Br3 O2 P2 Pt
Calculated formula	C20 H37 Br3 O2 P2 Pt
SMILES	[Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c(OC)c(Br)cc(Br)c1OC
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	11.585 ± 0.003 Å
b	15.156 ± 0.004 Å
c	30.722 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	5394 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4334409.cif
100228	2014-02-04	cif/ Adding structures of 4334409 via cif-deposit CGI script.	4334409.cif