Crystallography Open Database

Information card for entry 7214144

Preview

Coordinates	7214144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 Cu2 N9 O8
Calculated formula	C24 H21 Cu2 N9 O8
Title of publication	Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks
Authors of publication	Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	13
Pages of publication	2660
a	9.485 ± 0.0009 Å
b	10.5635 ± 0.001 Å
c	15.7452 ± 0.0016 Å
α	98.015 ± 0.001°
β	91.021 ± 0.001°
γ	114.802 ± 0.001°
Cell volume	1413 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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