Crystallography Open Database

Information card for entry 8106364

Preview

Coordinates	8106364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N6 Na2 O10
Calculated formula	C18 H24 N6 Na2 O10
Title of publication	Crystal structure of di-μ2-aqua-tetraaqua-bis(4-(1H-1,2,4-triazol-1-yl)benzoato-κN)disodium(I) C18H24N6Na2O10
Authors of publication	Gao, Xiaonan; Zhang, Cun-Lan; Fu, Ai-Yun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	965 - 966
a	6.223 ± 0.002 Å
b	7.385 ± 0.002 Å
c	14.295 ± 0.005 Å
α	75.491 ± 0.006°
β	77.953 ± 0.006°
γ	70.523 ± 0.006°
Cell volume	593.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0913
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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