Crystallography Open Database

Information card for entry 4334413

Preview

Coordinates	4334413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H34 Br F3 P2 Pt
Calculated formula	C19 H34 Br F3 P2 Pt
SMILES	c1(c(cccc1)C(F)(F)F)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Br
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	14.329 ± 0.002 Å
b	13.027 ± 0.002 Å
c	13.136 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2452 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.212
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.	4334413.cif
100232	2014-02-04	cif/ Adding structures of 4334413 via cif-deposit CGI script.	4334413.cif