Crystallography Open Database

Information card for entry 7001606

Preview

Coordinates	7001606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O5 Zn
Calculated formula	C22 H20 N2 O5 Zn
Title of publication	Structural diversity and properties of ZnII and CdII complexes with a flexible dicarboxylate building block 1,3-phenylenediacetate and various heterocyclic co-ligands
Authors of publication	Zhang, Mei-Li; Li, Dong-Sheng; Wang, Ji-Jiang; Fu, Feng; Du, Miao; Zou, Kun; Gao, Xiao-Ming
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	27
Pages of publication	5355 - 5364
a	6.892 ± 0.001 Å
b	9.441 ± 0.0013 Å
c	16.151 ± 0.002 Å
α	96.072 ± 0.002°
β	101.351 ± 0.002°
γ	91.589 ± 0.002°
Cell volume	1023.3 ± 0.2 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	0.0655
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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