Crystallography Open Database

Information card for entry 7223536

Preview

Coordinates	7223536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H89.5 Fe2 N20 O8.75
Calculated formula	C84 H89.5 Fe2 N20 O8.75
Title of publication	Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study.
Authors of publication	Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	575 - 585
a	14.6547 ± 0.0005 Å
b	34.5808 ± 0.0013 Å
c	35.0669 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	17770.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.1107
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.242
Weighted residual factors for all reflections included in the refinement	0.2694
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
206167 (current)	2018-02-05	cif/7/ Updating bibliography in entries 7038038, 7100572, 7223536.	7223536.cif
206166	2018-02-04	cif/ Updating space group information in entries 4513766, 7036967, 7036968, 7036970, 7038038, 7100572, 7118054, 7223536.	7223536.cif
171596	2015-12-18	cif/ Adding structures of 7223536 via cif-deposit CGI script.	7223536.cif