Crystallography Open Database

Information card for entry 4328950

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Coordinates	4328950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl2 Fe N24 O10
Calculated formula	C12 H16 Cl2 Fe N24 O10
Title of publication	New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect
Authors of publication	Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4663 - 4671
a	8.1901 ± 0.0003 Å
b	20.1869 ± 0.0007 Å
c	8.9629 ± 0.0003 Å
α	90°
β	90.8456 ± 0.0016°
γ	90°
Cell volume	1481.7 ± 0.09 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.1145
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.2613
Weighted residual factors for all reflections included in the refinement	0.2798
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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