Crystallography Open Database

Information card for entry 4329162

Preview

Coordinates	4329162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 F6 N2 O Pt Si2
Calculated formula	C42 H40 F6 N2 O Pt Si2
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	17.388 ± 0.007 Å
b	39.549 ± 0.015 Å
c	13.504 ± 0.006 Å
α	90°
β	105.179 ± 0.008°
γ	90°
Cell volume	8962 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0927
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4329162.cif
78202	2013-04-01	cif/ Adding structures of 4329162 via cif-deposit CGI script.	4329162.cif