Crystallography Open Database

Information card for entry 2012988

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Structure parameters

Chemical name	Diammonium aqua-μ-carbonato-tri-μ-oxalatodineodymium(III) hydrate
Formula	C7 H12 N2 Nd2 O17
Calculated formula	C7 H12 N2 Nd2 O17
Title of publication	A neodymium(III)‒ammonium complex involving oxalate and carbonate ligands: (NH~4~)~2~[Nd~2~(C~2~O~4~)~3~(CO~3~)(H~2~O)]·H~2~O
Authors of publication	Trombe, Jean-Christian; Galy, Jean; Enjalbert, Renée
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	10
Pages of publication	m517 - m520
a	8.7065 ± 0.001 Å
b	9.53 ± 0.001 Å
c	10.3274 ± 0.001 Å
α	73.35 ± 0.018°
β	86.9 ± 0.02°
γ	80.5 ± 0.02°
Cell volume	809.69 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.024
Weighted residual factors for all reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections	1.151
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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