Crystallography Open Database

Information card for entry 4334415

Preview

Coordinates	4334415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Br2 P2 Pt
Calculated formula	C26 H38 Br2 P2 Pt
SMILES	[Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c(Br)c2ccccc2c2ccccc12
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	11.7701 ± 0.001 Å
b	16.9197 ± 0.0014 Å
c	14.0443 ± 0.0011 Å
α	90°
β	91.045 ± 0.002°
γ	90°
Cell volume	2796.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	4334415.cif
100234	2014-02-04	cif/ Adding structures of 4334415 via cif-deposit CGI script.	4334415.cif