Crystallography Open Database

Information card for entry 7205826

7205825 << 7205826 >> 7205827

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Coordinates	7205826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 Cl4 Cu2 N14 O6
Calculated formula	C42 H54 Cl4 Cu2 N14 O6
Title of publication	Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands
Authors of publication	Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2890
a	35.704 ± 0.006 Å
b	33.36 ± 0.005 Å
c	8.2196 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	9790 ± 3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1938
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.19
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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