Crystallography Open Database

Information card for entry 7211189

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Coordinates	7211189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H56 Cd2 N6 O12
Calculated formula	C64 H56 Cd2 N6 O12
Title of publication	Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration
Authors of publication	Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	42
Pages of publication	8426
a	19.6105 ± 0.0009 Å
b	18.635 ± 0.0007 Å
c	16.3206 ± 0.0005 Å
α	90°
β	93.94 ± 0.002°
γ	90°
Cell volume	5950.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1311
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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