Crystallography Open Database

Information card for entry 7200838

7200837 << 7200838 >> 7200839

Preview

Coordinates	7200838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O11.49 Zn
Calculated formula	C17.999 H18 N2 O11.5 Zn
Title of publication	Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures
Authors of publication	Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	7
Pages of publication	1201
a	5.216 ± 0.003 Å
b	12.753 ± 0.008 Å
c	15.346 ± 0.008 Å
α	82.546 ± 0.014°
β	80.707 ± 0.013°
γ	87.955 ± 0.015°
Cell volume	998.8 ± 1 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	0.0573
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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