Crystallography Open Database

Information card for entry 4085700

Preview

Coordinates	4085700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H66 Br2 P4 Pt2
Calculated formula	C34 H66 Br2 P4 Pt2
SMILES	[Pt](Br)([P](CC)(CC)CC)(c1ccc([Pt](Br)([P](CC)(CC)CC)[P](CC)(CC)CC)c2ccccc12)[P](CC)(CC)CC
Title of publication	Thermal and Photochemical Ring-Bromination in Naphthyl-, Naphthdiyl-, and Dicarboximideperyl-Platinum Complexes
Authors of publication	Raphael Karikachery, Alice; Masjedi, Mehdi; Sharp, Paul R.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	9
Pages of publication	1635
a	23.456 ± 0.004 Å
b	12.643 ± 0.002 Å
c	14.518 ± 0.003 Å
α	90°
β	99.486 ± 0.002°
γ	90°
Cell volume	4246.5 ± 1.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
140249 (current)	2015-07-05	cif/ Updating files of 4085699, 4085700, 4085701, 4085702 Original log message: Adding full bibliography for 4085699--4085702.cif.	4085700.cif
136331	2015-05-13	cif/ Adding structures of 4085699, 4085700, 4085701, 4085702 via cif-deposit CGI script.	4085700.cif