Crystallography Open Database

Information card for entry 8106061

Preview

Coordinates	8106061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 Na O7
Calculated formula	C9 H7 Na O7
Title of publication	Crystal structure of poly[aqua-(μ5-2,5-dicarboxybenzoato-κ5 O:O:O′:O′′:O′′′)sodium(I)], C9H7NaO7
Authors of publication	Nie, Cong-Kui; Zhao, Dan; Tian, Ye
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	1
Pages of publication	103 - 104
a	7.0533 ± 0.0007 Å
b	7.1238 ± 0.0007 Å
c	10.5664 ± 0.001 Å
α	87.466 ± 0.001°
β	83.003 ± 0.001°
γ	66.69 ± 0.001°
Cell volume	483.95 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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