Crystallography Open Database

Information card for entry 4332906

Preview

Coordinates	4332906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H20 Fe2 N O18 S3
Calculated formula	C3 H20 Fe2 N O18 S3
Title of publication	Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions
Authors of publication	Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	20
Pages of publication	8452 - 8458
a	7.3719 ± 0.0005 Å
b	7.4456 ± 0.0006 Å
c	16.5448 ± 0.0012 Å
α	87.659 ± 0.001°
β	87.044 ± 0.001°
γ	77.222 ± 0.001°
Cell volume	884.04 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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