Crystallography Open Database

Information card for entry 2008061

2008060 << 2008061 >> 2008062

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Coordinates	2008061.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)
Formula	C24 H36 N6 O16 Sr
Calculated formula	C24 H36 N6 O16 Sr
SMILES	[Sr]123456([OH]CC[N]3(CC[OH]1)CC[OH]2)[OH]CC[N]4(CC[OH]5)CC[OH]6.[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1.[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1
Title of publication	Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)
Authors of publication	Poonia, Narinder Singh; Chhabra, Neera; Sheldrick, W. S.; Hundal, Geeta; Obrai, Sangeeta; Hundal, Maninder Singh
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	1
Pages of publication	24 - 26
a	7.826 ± 0.002 Å
b	17.069 ± 0.003 Å
c	11.578 ± 0.002 Å
α	90°
β	93.09 ± 0.03°
γ	90°
Cell volume	1544.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.078
Weighted residual factors for all reflections	0.279
Weighted residual factors for significantly intense reflections	0.191
Goodness-of-fit parameter for all reflections	1.077
Goodness-of-fit parameter for significantly intense reflections	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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