Crystallography Open Database

Information card for entry 2206940

2206939 << 2206940 >> 2206941

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Structure parameters

Chemical name	Bis(ethylenediamine)zinc(II) bis(2-sulfanilamidopyrimidine) trihydrate
Formula	C24 H40 N12 O7 S2 Zn
Calculated formula	C24 H40 N12 O7 S2 Zn
SMILES	c1([N-]S(=O)(=O)c2ccc(cc2)N)ncccn1.c1cc(ccc1N)S(=O)(=O)[N-]c1ncccn1.C1C[NH2][Zn]2([NH2]CC[NH2]2)[NH2]1.O.O.O
Title of publication	<i>trans-</i>Diaquabis(ethylenediamine)zinc(II) 2-(sulfanilamido)pyrimidine monohydrate
Authors of publication	Işık, Şamil; Köysal, Yavuz; Yavuz, Metin; Heren, Zerrin; Vurucu, Leyla
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	m2066 - m2068
a	13.74 ± 0.0005 Å
b	14.6581 ± 0.0007 Å
c	15.9408 ± 0.0006 Å
α	90°
β	94.51 ± 0.003°
γ	90°
Cell volume	3200.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0588
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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