Crystallography Open Database

Information card for entry 7200705

7200704 << 7200705 >> 7200706

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Coordinates	7200705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Cl4 N12 O4 Zn2
Calculated formula	C39 H47 Cl4 N12 O4 Zn2
Title of publication	Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes
Authors of publication	Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	975
a	12.9497 ± 0.0008 Å
b	41.02 ± 0.003 Å
c	8.8874 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4721 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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