Crystallography Open Database

Information card for entry 4516744

Preview

Coordinates	4516744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C468 H450 N48 Ni18 O135
Calculated formula	C468 H450 N48 Ni18 O135
Title of publication	Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction
Authors of publication	Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	3
Pages of publication	1726
a	15.7128 ± 0.001 Å
b	15.7128 ± 0.001 Å
c	60.539 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	12944.1 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.06
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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