Crystallography Open Database

Information card for entry 7002151

Preview

Coordinates	7002151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 N8 O4 Zn2
Calculated formula	C36 H44 N8 O4 Zn2
SMILES	C(=O)(c1ccc(cc1)C)O[Zn]1([n]2[nH]c(cc2C)C)n2[n](c(C)cc2C)[Zn]([n]2[nH]c(cc2C)C)([n]2n1c(C)cc2C)OC(=O)c1ccc(cc1)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	16.8246 ± 0.0008 Å
b	33.419 ± 0.002 Å
c	14.0874 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7920.8 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7002151.html