Crystallography Open Database

Information card for entry 4308779

Preview

Coordinates	4308779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 F3 N4 O5 Pt S
Calculated formula	C30 H29 F3 N4 O5 Pt S
SMILES	[Pt]12([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)C#Cc1ccc(N(CCOC)CCOC)cc1.[O-]S(=O)(=O)C(F)(F)F
Title of publication	Functionalized Platinum(II) Terpyridyl Alkynyl Complexes as Colorimetric and Luminescence pH Sensors
Authors of publication	Keith Man-Chung Wong; Wing-Suen Tang; Xiao-Xia Lu; Nianyong Zhu; Vivian Wing-Wah Yam
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1492 - 1498
a	28.546 ± 0.006 Å
b	7.09 ± 0.001 Å
c	31.623 ± 0.006 Å
α	90°
β	95.21 ± 0.03°
γ	90°
Cell volume	6374 ± 2 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.1212
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1896
Goodness-of-fit parameter for all reflections included in the refinement	0.87
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179125 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/87.	4308779.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308779.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308779.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308779.cif