Crystallography Open Database

Information card for entry 4328954

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Coordinates	4328954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Fe N12 O4 S2
Calculated formula	C10 H16 Fe N12 O4 S2
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	13.2751 ± 0.0013 Å
b	7.194 ± 0.0007 Å
c	12.0161 ± 0.0012 Å
α	90°
β	118.667 ± 0.003°
γ	90°
Cell volume	1006.89 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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 all reflections	0.0423
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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