Crystallography Open Database

Information card for entry 7037308

Preview

Coordinates	7037308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H57 F6 Fe2 N2 O3 P S2
Calculated formula	C47 H57 F6 Fe2 N2 O3 P S2
SMILES	[P](F)(F)(F)(F)(F)[F-].[Fe]1234567([Fe]89%10%11([S]1CC)([S]2CC)([O]=C(O3)c1ccc(NC(=O)NCc2c3ccccc3cc3ccccc23)cc1)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)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	17.6823 ± 0.0006 Å
b	15.2698 ± 0.0005 Å
c	18.2002 ± 0.0007 Å
α	90°
β	105.609 ± 0.002°
γ	90°
Cell volume	4732.9 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1543
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.	7037308.cif
170414	2015-11-19	cif/ Adding structures of 7037307, 7037308, 7037309 via cif-deposit CGI script.	7037308.cif