Crystallography Open Database

Information card for entry 2214520

Preview

Coordinates	2214520.cif
Structure factors	2214520.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>cyclo</i>-Tetrakis[μ-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-\ methoxybenzylidene)hydrazine(2-)]tetrazinc(II)} <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
Formula	C72 H76 N12 O20 Zn4
Calculated formula	C72 H76 N12 O20 Zn4
SMILES	c1ccc2c3c1C=[N]1N=C(O[Zn]451[O]3[Zn]13(OC(=N[N]1=Cc1cccc6c1[O]3[Zn]13(OC(=N[N]1=Cc1cccc7c1[O]3[Zn]13(OC(=N[N]1=Cc1cccc(c1[O]43)[O]5C)c1ccccc1O)[O]7C)c1ccccc1O)[O]6C)c1ccccc1O)[O]2C)c1ccccc1O.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
Title of publication	<i>cyclo</i>-Tetrakis[μ-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazine(2–)]tetrazinc(II) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
Authors of publication	Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	m2180 - m2180
a	24.1202 ± 0.001 Å
b	24.1202 ± 0.001 Å
c	13.093 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7617.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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