Crystallography Open Database

Information card for entry 7223269

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Coordinates	7223269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H124 N12 Ni2 O30
Calculated formula	C63 H88 N12 Ni2 O12
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	12.0122 ± 0.0008 Å
b	25.023 ± 0.0018 Å
c	31.873 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9580.4 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2384
Weighted residual factors for all reflections included in the refinement	0.2592
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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