Crystallography Open Database

Information card for entry 4501506

Preview

Coordinates	4501506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cu N6 S
Calculated formula	C20 H19 Cu N6 S
Title of publication	Formation of [CuSCN]n-Based Topological Structures via a Family of Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths
Authors of publication	Li, Ling-Ling; Yuan, Rong-Xin; Liu, Lei-Lei; Ren, Zhi-Gang; Zheng, Ai-Xia; Cheng, Hong-Jian; Li, Hong-Xi; Lang, Jian-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1929
a	9.7226 ± 0.0019 Å
b	9.75 ± 0.002 Å
c	12.448 ± 0.003 Å
α	100.75 ± 0.03°
β	98.54 ± 0.03°
γ	119.04 ± 0.03°
Cell volume	973.5 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.08
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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