Crystallography Open Database

Information card for entry 7207782

7207781 << 7207782 >> 7207783

Preview

Coordinates	7207782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 Cu N12 O13.5
Calculated formula	C28 H44 Cu N12 O13.5
Title of publication	Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand
Authors of publication	Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	3271
a	39.696 ± 0.007 Å
b	10.2615 ± 0.0018 Å
c	19.738 ± 0.003 Å
α	90°
β	112.413 ± 0.002°
γ	90°
Cell volume	7433 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1168
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.2043
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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