Crystallography Open Database

Information card for entry 4335728

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Coordinates	4335728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H92 Cu2 N12 O20
Calculated formula	C68 H92 Cu2 N12 O20
Title of publication	Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and "Boxes": Synthesis, X-ray Analysis, and Anion Influence on Complex Structure
Authors of publication	Ajay Pal Singh Pannu; James R. Stevens; Paul G. Plieger
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9327 - 9337
a	11.4408 ± 0.0019 Å
b	20.2715 ± 0.0004 Å
c	19.0446 ± 0.0013 Å
α	90°
β	106.297 ± 0.01°
γ	90°
Cell volume	4239.4 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.2287
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Copper
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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