Crystallography Open Database

Information card for entry 7001609

Preview

Coordinates	7001609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cd N2 O6
Calculated formula	C20 H20 Cd N2 O6
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	7.991 ± 0.004 Å
b	11.514 ± 0.005 Å
c	12.075 ± 0.005 Å
α	107.352 ± 0.006°
β	97.505 ± 0.006°
γ	108.925 ± 0.006°
Cell volume	970.8 ± 0.8 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	0.0204
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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