Crystallography Open Database

Information card for entry 4350322

Preview

Coordinates	4350322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 Cs2 Fe2 N32 Ni2 O7
Calculated formula	C36 H52 Cs2 Fe2 N32 Ni2 O7
Title of publication	Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.
Authors of publication	Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	19
Pages of publication	7722 - 7735
a	24.4696 ± 0.0011 Å
b	11.7515 ± 0.0006 Å
c	41.0003 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	11789.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1277
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.2034
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
239836 (current)	2019-11-25	cif/ Adding structures of 4350317, 4350318, 4350319, 4350320, 4350321, 4350322 via cif-deposit CGI script.	4350322.cif