Crystallography Open Database

Information card for entry 2200110

2200109 << 2200110 >> 2200111

Preview

Coordinates	2200110.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetra(2,4-pyridinedicarboxylate)terazinc(II) octa-hydtate
Formula	C28 H28 N4 O24 Zn4
Calculated formula	C28 H28 N4 O24 Zn4
SMILES	[n]12cc3ccc2C(=O)O[Zn]1([OH2])([OH2])OC(=O)c1ccc2[n](c1)[Zn]([OH2])([OH2])(OC(=O)c1ccc4[n](c1)[Zn](OC(=O)c1c[n]5[Zn]([OH2])([OH2])(OC3=O)OC(=O)c5cc1)([OH2])([OH2])OC4=O)OC2=O
Title of publication	Tetrakis(2,5-pyridinedicarboxylato)tetrazinc(II) octahydrate
Authors of publication	Liang, Yucang; Hong, Maochun; Cao, Rong
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	4
Pages of publication	m145 - m147
a	7.0512 ± 0.0006 Å
b	7.3853 ± 0.0006 Å
c	18.4652 ± 0.0014 Å
α	90.022 ± 0.001°
β	96.985 ± 0.001°
γ	115.63 ± 0.001°
Cell volume	859.02 ± 0.12 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	0.0532
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections	1.069
Goodness-of-fit parameter for significantly intense reflections	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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