Crystallography Open Database

Information card for entry 7002157

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Structure parameters

Formula	C24 H26 N4 O6 Zn
Calculated formula	C24 H26 N4 O6 Zn
SMILES	[Zn](OC(=O)c1ccc(cc1)O)(OC(=O)c1ccc(cc1)O)([n]1c(cc(C)[nH]1)C)[n]1[nH]c(cc1C)C
Title of publication	Solvent induced reactivity of 3,5-dimethylpyrazole towards zinc (II) carboxylates
Authors of publication	Sarma, Rupam; Kalita, Dipjyoti; Baruah, Jubaraj B.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	36
Pages of publication	7428 - 7436
a	11.7329 ± 0.0003 Å
b	23.2318 ± 0.0007 Å
c	19.7788 ± 0.0004 Å
α	90°
β	105.782 ± 0.001°
γ	90°
Cell volume	5188 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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