Crystallography Open Database

Information card for entry 4127734

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Coordinates	4127734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H130 Cl6 N26 Ni4 O47
Calculated formula	C116 H109 Cl6 N26 Ni4 O47
Title of publication	Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.
Authors of publication	Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	32
Pages of publication	12707 - 12716
a	33.2486 ± 0.0009 Å
b	21.1446 ± 0.0006 Å
c	24.1227 ± 0.0007 Å
α	90°
β	110.247 ± 0.0014°
γ	90°
Cell volume	15911 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1936
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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