Crystallography Open Database

Information card for entry 4314210

Preview

Coordinates	4314210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H28 Ca Cl2 O12
Calculated formula	C8 H28 Ca Cl2 O12
Title of publication	Interactions between Metal Ions and Carbohydrates. Coordination Behavior of Neutral Erythritol to Ca(II) and Lanthanide Ions
Authors of publication	Limin Yang; Yunlan Su; Yizhuang Xu; Zheming Wang; Zonghui Guo; Shifu Weng; Chunhua Yan; Shiwei Zhang; Jinguang Wu
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	5844 - 5856
a	11.6282 ± 0.0003 Å
b	15.3443 ± 0.0004 Å
c	22.2933 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3977.72 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1919
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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