Crystallography Open Database

Information card for entry 7039149

Preview

Coordinates	7039149.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Re-L0_OH
Formula	C17 H22 Br N2 O11 P2 Re
Calculated formula	C17 H22 Br N2 O11 P2 Re
Title of publication	Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups.
Authors of publication	Braumüller, Markus; Schulz, Martin; Staniszewska, Magdalena; Sorsche, Dieter; Wunderlin, Markus; Popp, Jürgen; Guthmuller, Julien; Dietzek, Benjamin; Rau, Sven
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	22
Pages of publication	9216 - 9228
a	6.265 ± 0.0002 Å
b	14.0611 ± 0.0007 Å
c	15.4117 ± 0.0006 Å
α	68.954 ± 0.004°
β	82.163 ± 0.003°
γ	81.699 ± 0.004°
Cell volume	1248.56 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0395
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185315 (current)	2016-08-07	cif/ Updating files of 7039148, 7039149, 7039150, 7039151 Original log message: Adding full bibliography for 7039148--7039151.cif.	7039149.cif
182392	2016-04-29	cif/ Adding structures of 7039148, 7039149, 7039150, 7039151 via cif-deposit CGI script.	7039149.cif