Crystallography Open Database

Information card for entry 7206403

7206402 << 7206403 >> 7206404

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Coordinates	7206403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Cu4 N10 O13
Calculated formula	C34 H32 Cu4 N10 O13
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	9.959 ± 0.0005 Å
b	10.0093 ± 0.0005 Å
c	11.8264 ± 0.0006 Å
α	94.823 ± 0.001°
β	110.532 ± 0.001°
γ	118.443 ± 0.001°
Cell volume	924.49 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0267
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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