Crystallography Open Database

Information card for entry 7037284

Preview

Coordinates	7037284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 F6 Fe N6 O6 P2 S2
Calculated formula	C32 H24 F6 Fe N6 O6 P2 S2
SMILES	[Fe]1234([n]5c(P(c6cccc[n]36)c3[n]2cccc3)cccc5)[n]2ccccc2P(c2[n]1cccc2)c1cccc[n]41.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.
Authors of publication	Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	276 - 283
a	17.6327 ± 0.0009 Å
b	20.0111 ± 0.0011 Å
c	19.8093 ± 0.001 Å
α	90°
β	91.836 ± 0.002°
γ	90°
Cell volume	6986.1 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0519
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176114 (current)	2016-02-05	cif/ Updating files of 7037282, 7037283, 7037284, 7037285, 7037286, 7037287 Original log message: Adding full bibliography for 7037282--7037287.cif.	7037284.cif
170381	2015-11-18	cif/ Adding structures of 7037282, 7037283, 7037284, 7037285, 7037286, 7037287 via cif-deposit CGI script.	7037284.cif