Crystallography Open Database

Information card for entry 4516646

Preview

Coordinates	4516646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H28 N10 Ni3 O18
Calculated formula	C45 H28 N10 Ni3 O18
Title of publication	Construction of a Multi-Cage-Based MOF with a Unique Network for Efficient CO<sub>2</sub> Capture.
Authors of publication	Yu, Mei-Hui; Zhang, Ping; Feng, Rui; Yao, Zhao-Quan; Yu, Yi-Chen; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	31
Pages of publication	26177 - 26183
a	22.3712 ± 0.0002 Å
b	22.3712 ± 0.0002 Å
c	95.1715 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	41249.3 ± 0.9 Å³
Cell temperature	386 ± 2 K
Ambient diffraction temperature	386 ± 2 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	0.0568
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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