Crystallography Open Database

Information card for entry 4322314

Preview

Coordinates	4322314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H28 Fe2 N2 O16 P4
Calculated formula	C8 H28 Fe2 N2 O16 P4
Title of publication	[NH3(CH2)4NH3]Fe2[CH3C(OH)(PO3)(PO3H)]2.2H2O: A Novel Iron(II) Diphosphonate with a Supramolecular Open Network Structure
Authors of publication	Li-Min Zheng; Hui-Hua Song; Chia-Heir Lin; Sue-Lein Wang; Zheng Hu; Zhi Yu; Xin
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4618 - 4619
a	5.5362 ± 0.0002 Å
b	12.8676 ± 0.0005 Å
c	15.4337 ± 0.0005 Å
α	90°
β	99.279 ± 0.001°
γ	90°
Cell volume	1085.07 ± 0.07 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for all reflections	0.0697
Weighted residual factors for significantly intense reflections	0.0668
Goodness-of-fit parameter for all reflections	1.046
Goodness-of-fit parameter for significantly intense reflections	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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