Crystallography Open Database

Information card for entry 1548221

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Coordinates	1548221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 Cd N3 O5
Calculated formula	C28 H25 Cd N3 O5
Title of publication	Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour
Authors of publication	Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	6917
a	9.7904 ± 0.00015 Å
b	17.366 ± 0.0003 Å
c	15.2569 ± 0.0002 Å
α	90°
β	95.4829 ± 0.0013°
γ	90°
Cell volume	2582.11 ± 0.07 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.035
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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