Crystallography Open Database

Information card for entry 4080841

Preview

Coordinates	4080841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Cl2 Fe I N O6
Calculated formula	C19 H16 Cl2 Fe I N O6
Title of publication	A Novel Acylmethylpyridinol Ligand Containing Dinuclear Iron Complex Closely Related to [Fe]-Hydrogenase
Authors of publication	Song, Li-Cheng; Zhao, Gao-Yu; Xie, Zhao-Jun; Zhang, Ji-Wei
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2509
a	7.113 ± 0.003 Å
b	12.396 ± 0.005 Å
c	13.575 ± 0.006 Å
α	105.51 ± 0.03°
β	101.09 ± 0.03°
γ	101.13 ± 0.03°
Cell volume	1093.3 ± 0.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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