Crystallography Open Database

Information card for entry 7113678

Preview

Coordinates	7113678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 F3 N6 O9 Re S
Calculated formula	C45 H48 F3 N6 O9 Re S
Title of publication	Luminescent rhenium(I) diimine indole conjugates ‒ photophysical, electrochemical and protein-binding properties
Authors of publication	Lo, Kenneth Kam-Wing; Tsang, Keith Hing-Kit; Hui, Wai-Ki; Zhu, Nianyong
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	21
Pages of publication	2704 - 2705
a	11.656 ± 0.002 Å
b	24.084 ± 0.005 Å
c	17.124 ± 0.003 Å
α	90°
β	99.44 ± 0.03°
γ	90°
Cell volume	4742 ± 1.6 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	7104866
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210417 (current)	2018-09-04	cif/7/ Updating bibliography in entries 7104865-7104866, 7113677-7113678. Marking entries 7113677-7113678 as duplicates of entries 7104865-7104866.	7113678.cif
180250	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36.	7113678.cif
115200	2014-06-02	cif/ Adding structures of 7113677, 7113678 via cif-deposit CGI script.	7113678.cif