Crystallography Open Database

Information card for entry 7206404

7206403 << 7206404 >> 7206405

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Coordinates	7206404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 Cu4 N10 O15.5
Calculated formula	C34 H37 Cu4 N10 O15.5
Title of publication	Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks
Authors of publication	Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	17
Pages of publication	5495
a	7.5589 ± 0.0005 Å
b	13.892 ± 0.0008 Å
c	18.9818 ± 0.0012 Å
α	90°
β	97.233 ± 0.001°
γ	90°
Cell volume	1977.4 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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