Crystallography Open Database

Information card for entry 4326281

Preview

Coordinates	4326281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 Cl3 N2 Pt Si
Calculated formula	C32 H27 Cl3 N2 Pt Si
SMILES	[Pt]1([n]2c(c3[n]1cccc3)ccc(c2)C#C[Si](C)(C)C)(C#Cc1ccccc1)C#Cc1ccccc1.ClC(Cl)Cl
Title of publication	Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2'-bipyridine
Authors of publication	Jun Ni; Xu Zhang; Nan Qiu; Yu-Hui Wu; Li-Yi Zhang; Jing Zhang; Zhong-Ning Chen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9090 - 9096
a	7.168 ± 0.003 Å
b	22.491 ± 0.008 Å
c	19.119 ± 0.007 Å
α	90°
β	95.463 ± 0.006°
γ	90°
Cell volume	3068 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0968
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179365 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/62.	4326281.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326281.cif
47334	2012-03-23	../uploads/cif-deposit/cod/cif Adding structures of 4326281 via cif-deposit CGI script.	4326281.cif