Information card for entry 2020056
Chemical name
Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1.5/1)
Formula
C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4
Calculated formula
C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4
Title of publication
Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands
Authors of publication
Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping
Journal of publication
Acta Crystallographica Section C
Year of publication
2015
Journal volume
71
Journal issue
8
a
11.1554 ± 0.0008 Å
b
11.509 ± 0.0009 Å
c
13.6722 ± 0.0011 Å
α
68.55 ± 0.008°
β
81.603 ± 0.006°
γ
76.089 ± 0.006°
Cell volume
1582.6 ± 0.2 Å3
Cell temperature
100 ± 0.2 K
Ambient diffraction temperature
100 ± 0.2 K
Number of distinct elements
9
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0934
Residual factor for significantly intense reflections
0.0669
Weighted residual factors for significantly intense reflections
0.1735
Weighted residual factors for all reflections included in the refinement
0.1983
Goodness-of-fit parameter for all reflections included in the refinement
1.042
Diffraction radiation wavelength
0.7107 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
Yes
Has Fobs
Yes
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https://www.crystallography.net/2020056.html