Crystallography Open Database

Information card for entry 7037309

Preview

Coordinates	7037309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H57 F6 N2 O3 P Ru2 S2
Calculated formula	C47 H57 F6 N2 O3 P Ru2 S2
SMILES	[P](F)(F)(F)(F)(F)[F-].[Ru]1234567([Ru]89%10%11([S]1CC)([S]2CC)([O]=C(O3)c1ccc(NC(=O)NCc2c3ccccc3cc3ccccc23)cc1)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
Title of publication	Highly selective fluorescence sensors for the fluoride anion based on carboxylate-bridged diiron complexes.
Authors of publication	Zhou, Yuhan; Dong, Xiaoliang; Zhang, Yixin; Tong, Peng; Qu, Jingping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	16
Pages of publication	6839 - 6846
a	9.5698 ± 0.0003 Å
b	33.4071 ± 0.0011 Å
c	15.0363 ± 0.0005 Å
α	90°
β	99.255 ± 0.001°
γ	90°
Cell volume	4744.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1
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
182729 (current)	2016-05-06	cif/ Updating files of 7037307, 7037308, 7037309 Original log message: Adding full bibliography for 7037307--7037309.cif.	7037309.cif
170414	2015-11-19	cif/ Adding structures of 7037307, 7037308, 7037309 via cif-deposit CGI script.	7037309.cif