Crystallography Open Database

Information card for entry 7029233

Preview

Coordinates	7029233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Br Cl4 N2 Pt
Calculated formula	C28 H21 Br Cl4 N2 Pt
SMILES	[Pt]1([n]2c(c3[n]1cccc3)cc(Br)cc2)(C#Cc1ccccc1)C#Cc1ccccc1.ClCCl.ClCCl
Title of publication	Thermo- and mechanical-grinding-triggered color and luminescence switches of the diimine-platinum(II) complex with 4-bromo-2,2'-bipyridine.
Authors of publication	Ni, Jun; Wang, You-Gui; Wang, Hui-Hui; Xu, Liang; Zhao, Yan-Qiu; Pan, Yu-Zhen; Zhang, Jian-Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	352 - 360
a	7.684 ± 0.002 Å
b	22.104 ± 0.003 Å
c	17.567 ± 0.003 Å
α	90°
β	95.756 ± 0.002°
γ	90°
Cell volume	2968.7 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0991
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1482
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
179998 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92.	7029233.cif
105550	2014-03-12	cif/ Adding structures of 7029233, 7029234 via cif-deposit CGI script.	7029233.cif