Crystallography Open Database

Information card for entry 4344434

Preview

Coordinates	4344434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H36 B Br F2 N2 P2 Pt
Calculated formula	C21 H36 B Br F2 N2 P2 Pt
SMILES	C1([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)=c2ccc[n]2[B](n2c1ccc2)(F)F
Title of publication	Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY Platinum Complexes and Its Application to Ratiometric Singlet Oxygen Detection.
Authors of publication	Geist, Fabian; Jackel, Andrej; Winter, Rainer F.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10946 - 10957
a	17.3407 ± 0.0006 Å
b	17.1055 ± 0.0006 Å
c	17.4603 ± 0.0006 Å
α	90°
β	94.532 ± 0.003°
γ	90°
Cell volume	5162.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.291
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
170787 (current)	2015-12-06	cif/ Updating files of 4344433, 4344434, 4344435 Original log message: Adding full bibliography for 4344433--4344435.cif.	4344434.cif
170025	2015-11-06	cif/ Adding structures of 4344434 via cif-deposit CGI script.	4344434.cif