Crystallography Open Database

Information card for entry 4104273

Preview

Coordinates	4104273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Br2 P2 Pt
Calculated formula	C26 H38 Br2 P2 Pt
SMILES	c1(c2ccccc2c(c2c1cccc2)Br)[Pt]([P](CC)(CC)CC)(Br)[P](CC)(CC)CC
Title of publication	Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes
Authors of publication	Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3150 - 3151
a	19.3975 ± 0.0016 Å
b	12.6089 ± 0.001 Å
c	14.2731 ± 0.0012 Å
α	90°
β	129.005 ± 0.001°
γ	90°
Cell volume	2712.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178788 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/42.	4104273.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104273.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104273.cif
28796	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 4104273 via cif-deposit CGI script.	4104273.cif