Crystallography Open Database

Information card for entry 7207781

7207780 << 7207781 >> 7207782

Preview

Coordinates	7207781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H49 N13 Ni O13
Calculated formula	C31 H49 N13 Ni O13
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	16.9154 ± 0.0019 Å
b	24.92 ± 0.003 Å
c	10.3143 ± 0.0011 Å
α	90°
β	92.829 ± 0.002°
γ	90°
Cell volume	4342.5 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0948
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.199
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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