Crystallography Open Database

Information card for entry 7201063

7201062 << 7201063 >> 7201064

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Coordinates	7201063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H58 Cd2 N4 O17
Calculated formula	C80 H58 Cd2 N4 O17
Title of publication	Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures
Authors of publication	Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1815
a	12.264 ± 0.003 Å
b	28.899 ± 0.006 Å
c	9.6755 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3429.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	30
Hermann-Mauguin space group symbol	P n c 2
Hall space group symbol	P 2 -2bc
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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