Crystallography Open Database

Information card for entry 1548375

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Coordinates	1548375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H18 Cu3 N18 O15
Calculated formula	C36 H18 Cu3 N18 O15
Title of publication	Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework
Authors of publication	Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong
Journal of publication	Nature Communications
Year of publication	2017
Journal volume	8
Pages of publication	1233
a	22.4857 ± 0.0003 Å
b	22.4857 ± 0.0003 Å
c	11.0509 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	4838.84 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.4 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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