Crystallography Open Database

Information card for entry 7223270

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Coordinates	7223270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H108 N12 Ni2 O16
Calculated formula	C65 H108 N12 Ni2 O16
Title of publication	Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons
Authors of publication	Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	4084
a	18.7966 ± 0.0007 Å
b	18.7966 ± 0.0007 Å
c	21.2715 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	7515.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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