Crystallography Open Database

Information card for entry 4073580

Preview

Coordinates	4073580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 F6 N4.5 O5.25 P Re S3
Calculated formula	C31 H27 F6 N4.5 O5.25 P Re S3
Title of publication	Functionalized Rhenium(I) Complexes with Crown Ether Pendants Derived from 1,10-Phenanthroline: Selective Sensing for Metal Ions
Authors of publication	Li, Mei-Jin; Ko, Chi-Chiu; Duan, Gong-Ping; Zhu, Nianyong; Yam, Vivian Wing-Wah
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	25
Pages of publication	6091
a	13.551 ± 0.003 Å
b	15.774 ± 0.003 Å
c	20.193 ± 0.004 Å
α	94.07 ± 0.03°
β	93.67 ± 0.03°
γ	114.56 ± 0.03°
Cell volume	3895.1 ± 1.7 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.0857
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
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.	4073580.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073580.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073580.cif
46428	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073580 via cif-deposit CGI script.	4073580.cif