Crystallography Open Database

Information card for entry 4307004

Preview

Coordinates	4307004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H47 F12 N6.5 O3 P2 Ru S3
Calculated formula	C44 H38 F12 N6.5 O2.75 P2 Ru S3
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	9.257 ± 0.002 Å
b	13.092 ± 0.003 Å
c	22.265 ± 0.005 Å
α	90.74 ± 0.03°
β	98.33 ± 0.03°
γ	101.94 ± 0.03°
Cell volume	2609.6 ± 1.1 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	0.914
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4307004.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307004.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307004.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307004.cif