Crystallography Open Database

Information card for entry 7236619

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Coordinates	7236619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H130 Br2 N4 Ni8 O42 S8
Calculated formula	C136 H128 Br2 N4 Ni8 O42 S8
Title of publication	Pyridinium functionalized coordination containers as highly efficient electrocatalysts for sustainable oxygen evolution
Authors of publication	Bhuvaneswari, Nagarajan; Annamalai, K. P.; Dai, Feng-Rong; Chen, Zhong-Ning
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	45
Pages of publication	23559
a	13.404 ± 0.008 Å
b	13.953 ± 0.007 Å
c	26.278 ± 0.017 Å
α	79.49 ± 0.03°
β	81.51 ± 0.03°
γ	65.614 ± 0.019°
Cell volume	4387 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1498
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2727
Weighted residual factors for all reflections included in the refinement	0.3053
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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