Crystallography Open Database

Information card for entry 4334408

Preview

Coordinates	4334408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H39 Br O2 P2 Pt
Calculated formula	C20 H39 Br O2 P2 Pt
SMILES	[Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c(OC)cccc1OC
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	13.4672 ± 0.0015 Å
b	14.7999 ± 0.0016 Å
c	25.154 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5013.5 ± 1 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	0.0249
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	4334408.cif
100227	2014-02-04	cif/ Adding structures of 4334408 via cif-deposit CGI script.	4334408.cif