Crystallography Open Database

Information card for entry 4327548

Preview

Coordinates	4327548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H83 Fe3 N34 Ni2 O7
Calculated formula	C42 H68 Fe3 N34 Ni2 O7
Title of publication	From One-dimensional Chain to Pentanuclear Molecule. Magnetism of Cyano-Bridged Fe(III)-Ni(II) Complexes
Authors of publication	Hui-Zhong Kou; Bei Chuan Zhou; Dai-Zheng Liao; Ru-Ji Wang; Yadong Li
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6887 - 6891
a	8.9283 ± 0.0008 Å
b	13.4802 ± 0.001 Å
c	15.2995 ± 0.0019 Å
α	67.2407 ± 0.0057°
β	87.4952 ± 0.0006°
γ	83.7363 ± 0.0021°
Cell volume	1687.9 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2541
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2234
Weighted residual factors for all reflections included in the refinement	0.2817
Goodness-of-fit parameter for all reflections included in the refinement	0.862
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
179378 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327548.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327548.cif
61363	2012-07-03	cif/ Adding structures of 4327548 via cif-deposit CGI script.	4327548.cif