Crystallography Open Database

Information card for entry 4331070

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Structure parameters

Formula	C21 H21 N9
Calculated formula	C21 H21 N9
SMILES	c1(nc(nc(n1)NCc1ccccn1)NCc1ccccn1)NCc1ccccn1
Title of publication	Infinite Copper(II) Coordination Architectures from a Resonative Aminotriazine-Derived Tripodal Ligand: Synthesis, Structures, and Magnetic Properties
Authors of publication	Meng-Jung Tsai; Jing-Yun Wu; Ming-Hsi Chiang; Cheng-Hao Huang; Ming-Yu Kuo; Long-Li Lai
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12360 - 12371
a	9.6725 ± 0.0003 Å
b	10.2291 ± 0.0003 Å
c	11.6416 ± 0.0003 Å
α	111.967 ± 0.001°
β	92.732 ± 0.001°
γ	111.581 ± 0.001°
Cell volume	970.14 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	0.816
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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