Crystallography Open Database

Information card for entry 7050881

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Coordinates	7050881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H56 Fe N14 Ni2 O8
Calculated formula	C22 H40 Fe N14 Ni2 O8
Title of publication	A novel one-dimensional Ni(ii)???Fe(ii) polymer containing ??3-cyanides: [Ni(cyclen)]2[Fe(CN)6]??8H2O
Authors of publication	Shek, Iris P. Y.; Wong, Wing-Tak; Gao, Song; Lau, Tai-Chu
Journal of publication	New Journal of Chemistry
Year of publication	2002
Journal volume	26
Journal issue	9
Pages of publication	1099
a	12.048 ± 0.002 Å
b	17.729 ± 0.002 Å
c	9.155 ± 0.001 Å
α	90°
β	112.08 ± 0.01°
γ	90°
Cell volume	1812.1 ± 0.4 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0443
Goodness-of-fit parameter for significantly intense reflections	1.281
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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