Crystallography Open Database

Information card for entry 7024477

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Coordinates	7024477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Fe N12 O7 S2
Calculated formula	C38 H26 Fe N12 S2
Title of publication	An iron(II) incomplete spin-crossover compound: pressure effects and Mössbauer spectroscopy study.
Authors of publication	Yang, Feng-Lei; Li, Bao; Hanajima, Taro; Einaga, Yasuaki; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	9
Pages of publication	2288 - 2292
a	11.9078 ± 0.0002 Å
b	9.9474 ± 0.0001 Å
c	17.729 ± 0.0003 Å
α	90°
β	102.361 ± 0.002°
γ	90°
Cell volume	2051.35 ± 0.06 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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