Crystallography Open Database

Information card for entry 8105820

Preview

Coordinates	8105820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Na4 O19 S4
Calculated formula	C14 H18 Na4 O19 S4
Title of publication	The crystal structure of poly[m2-aqua-tetraaqua-bis(m9-4-formylbenzene-1,3-disulfonato)tetrasodium(I) hydrate, C14H18O19S4Na4
Authors of publication	Xi-Shi, Tai; Li-Li, Liu; Xiao-Jing, Zhou
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	685 - 686
a	7.0769 ± 0.0014 Å
b	9.5622 ± 0.0019 Å
c	10.952 ± 0.002 Å
α	115.14 ± 0.03°
β	90.46 ± 0.03°
γ	106.53 ± 0.03°
Cell volume	636.1 ± 0.3 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	0.0462
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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