Crystallography Open Database

Information card for entry 4309427

Preview

Coordinates	4309427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 F3 N5 O7 Re S
Calculated formula	C34 H26 F3 N5 O7 Re S
Title of publication	Synthesis, Characterization, Crystal Structure, and Electrochemical, Photophysical, and Protein-Binding Properties of Luminescent Rhenium(I) Diimine Indole Complexes
Authors of publication	Kenneth Kam-Wing Lo; Keith Hing-Kit Tsang; Wai-Ki Hui; Nianyong Zhu
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6100 - 6110
a	19.487 ± 0.004 Å
b	13.489 ± 0.003 Å
c	25.289 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6647 ± 2 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179132 (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 4/30/94.	4309427.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309427.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309427.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).	4309427.cif