Crystallography Open Database

Information card for entry 7052456

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Coordinates	7052456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H96 B2 F48 N2 Na2 O14
Calculated formula	C122 H96 B2 F48 N2 Na2 O14
Title of publication	Cation-reinforced donor-acceptor pseudorotaxanes
Authors of publication	Pascu, Sofia I.; Jarrosson, Thibaut; Naumann, Christoph; Otto, Sijbren; Kaiser, Guido; Sanders, Jeremy K. M.
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	1
Pages of publication	80
a	38.511 ± 0.0001 Å
b	15.7246 ± 0.0002 Å
c	22.8791 ± 0.0003 Å
α	90°
β	93.64 ± 0.0005°
γ	90°
Cell volume	13826.9 ± 0.3 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.242
Residual factor for significantly intense reflections	0.158
Weighted residual factors for all reflections	0.2243
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.1708
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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