Crystallography Open Database

Information card for entry 4344435

Preview

Coordinates	4344435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H39 B Br F2 N2 P2 Pt
Calculated formula	C48 H39 B Br F2 N2 P2 Pt
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	12.96 ± 0.0007 Å
b	12.4443 ± 0.0004 Å
c	25.7749 ± 0.0013 Å
α	90°
β	100.449 ± 0.004°
γ	90°
Cell volume	4088 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4344435.cif
170787	2015-12-06	cif/ Updating files of 4344433, 4344434, 4344435 Original log message: Adding full bibliography for 4344433--4344435.cif.	4344435.cif
170026	2015-11-06	cif/ Adding structures of 4344435 via cif-deposit CGI script.	4344435.cif