Crystallography Open Database

Information card for entry 4329161

Preview

Coordinates	4329161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 Cl2 F6 N2 O0 Pt Si2
Calculated formula	C39 H34 Cl2 F6 N2 Pt Si2
SMILES	[Pt]1([n]2c(c3[n]1cc(cc3)C#C[Si](C)(C)C)ccc(c2)C#C[Si](C)(C)C)(C#Cc1ccc(cc1)C(F)(F)F)C#Cc1ccc(cc1)C(F)(F)F.C(Cl)Cl
Title of publication	Vapochromic and Mechanochromic Phosphorescence Materials Based on a Platinum(II) Complex with 4-Trifluoromethylphenylacetylide
Authors of publication	Xu Zhang; Jin-Yun Wang; Jun Ni; Li-Yi Zhang; Zhong-Ning Chen
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5569 - 5579
a	7.1353 ± 0.0007 Å
b	38.393 ± 0.003 Å
c	15.2803 ± 0.0017 Å
α	90°
β	96.035 ± 0.007°
γ	90°
Cell volume	4162.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0804
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179394 (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 4/32/91.	4329161.cif
78201	2013-04-01	cif/ Adding structures of 4329161 via cif-deposit CGI script.	4329161.cif