Crystallography Open Database

Information card for entry 7108515

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Coordinates	7108515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H82 Co5 N10 O21
Calculated formula	C112 H82 Co5 N10 O21
Title of publication	Structure-property relationship of homochiral and achiral supramolecular isomers obtained by one-pot synthesis
Authors of publication	Ling Qin; Jin-Song Hu; Ming-Dao Zhang; Zi-Jian Guo; He-Gen Zheng
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	10757
a	27.4499 ± 0.0017 Å
b	17.0811 ± 0.001 Å
c	29.4964 ± 0.0018 Å
α	90°
β	108.566 ± 0.001°
γ	90°
Cell volume	13110.4 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0612
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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