Crystallography Open Database

Information card for entry 8106887

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Coordinates	8106887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cl N2 Nd O8
Calculated formula	C14 H16 Cl N2 Nd O8
Title of publication	Crystal structure of diaqua-bis(μ3-2-methyl-6-oxidopyridinium-4-carboxylato-κ3 O:O′:O′′)neodymium(III) chloride, C14H16ClN2O8Nd
Authors of publication	Li, Rong-Fang; Li, Jin; Wang, Ke-Qiang; Huo, Su Zhen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	403 - 404
a	10.3597 ± 0.0015 Å
b	10.3597 ± 0.0015 Å
c	32.729 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	3512.6 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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