Crystallography Open Database

Information card for entry 7225699

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Coordinates	7225699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H37.92 In8 N36 O55
Calculated formula	C60 H37.92 In8 N36 O55
Title of publication	Rational design and synthesis of an amino-functionalized hydrogen-bonded network with an ACO zeolite-like topology for gas storage
Authors of publication	Guo, Xiao-Qing; Wang, Miao; Meng, Fei; Tang, Yan-Feng; Tian, Shu; Yang, Hua-Ling; Jiang, Guo-Qing; Zhu, Jin-Li
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	30
Pages of publication	5616
a	20.1682 ± 0.0002 Å
b	20.1682 ± 0.0002 Å
c	20.1682 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8203.54 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0912
Weighted residual factors for significantly intense reflections	0.2921
Weighted residual factors for all reflections included in the refinement	0.3045
Goodness-of-fit parameter for all reflections included in the refinement	1.384
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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