Crystallography Open Database

Information card for entry 4307005

Preview

Coordinates	4307005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H49 Cl2 N7 O14 Ru S2
Calculated formula	C44 H42 Cl2 N7 O14 Ru S2
Title of publication	Synthesis, Structure, Photophysics, Electrochemistry, and Ion-Binding Studies of Ruthenium(II) 1,10-Phenanthroline Complexes Containing Thia-, Selena-, and Aza-Crown Pendants
Authors of publication	Mei-Jin Li; Ben Wai-Kin Chu; Nianyong Zhu; Vivian Wing-Wah Yam
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	720 - 733
a	12.101 ± 0.002 Å
b	12.517 ± 0.002 Å
c	18.818 ± 0.004 Å
α	91.05 ± 0.03°
β	103.92 ± 0.03°
γ	114.18 ± 0.03°
Cell volume	2501.8 ± 1.1 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
179108 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/70.	4307005.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307005.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307005.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307005.cif