Crystallography Open Database

Information card for entry 7104603

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Coordinates	7104603.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-19
Formula	C48 H24 Ni3 O16
Calculated formula	C48 H24 Ni3 O16
Title of publication	A nanotubular metal-organic framework with permanent porosity: structure analysis and gas sorption studies.
Authors of publication	Ma, Shengqian; Simmons, Jason M; Yuan, Daqiang; Li, Jian-Rong; Weng, Wei; Liu, Di-Jia; Zhou, Hong-Cai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	27
Pages of publication	4049 - 4051
a	15.551 ± 0.0003 Å
b	15.551 ± 0.0003 Å
c	16.364 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	3427.18 ± 0.14 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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