Crystallography Open Database

Information card for entry 4327549

Preview

Coordinates	4327549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H232 Fe3 K N34 Ni2 O52
Calculated formula	C102 H188 Fe3 K N34 Ni2 O52
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	20.652 ± 0.004 Å
b	15.716 ± 0.003 Å
c	25.591 ± 0.005 Å
α	90°
β	103.09 ± 0.03°
γ	90°
Cell volume	8090 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1885
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.253
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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.	4327549.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327549.cif
61364	2012-07-03	cif/ Adding structures of 4327549 via cif-deposit CGI script.	4327549.cif