Diffraction Structure — Nickel(II) Cluster-Based Pillar-Layered Metal-Organic Frameworks for High-Performance Supercapacitors

3 measurement groups · 30 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

PXRD chemical stability test

X-ray diffraction and scattering

acid/base-treated Ni-mba-Na and Ni-mba-K powders · Powder

~100 mg suspended in saturated NH4OH, saturated KOH or 1 M HCl for 24 h, washed, dried at 60 deg C for 24 h, then PXRD.

Temperature: 333 drying
Atmosphere: aqueous acid/base exposure
Geometry: powder
Context: pristine framework after chemical treatment
Measurement source: main p.2 and p.4 (journal p.17279, 17281) · 2.5; 3.1 · Figures S4-S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
alkaline ammonia stability	decompose into H2mba and Ni(OH)2 in saturated ammonia	—	—	Text Qualitative	main p.4 (journal p.17281) · 3.1. Structural Characterization · Figure S5
PXRD after 1 M HCl	no noticeable changes	—	—	Text Qualitative	main p.4 (journal p.17281) · 3.1. Structural Characterization · Figure S4
cycle stability in 6 M KOH under electric field	excellent cycle stabilities	—	—	Text Qualitative	main p.4 (journal p.17281) · 3.1. Structural Characterization · Figures 3f, 4f

PXRD/SXRD comparison and Table S1 distances

X-ray diffraction and scattering

as-synthesised Ni-mba-K product · Powder

Detailed Ni-mba-K characterisation reported in SI; Table S1 provides bond distances/angle.

Atmosphere: ambient unless otherwise specified
Geometry: crystal/powder
Context: pristine framework
Measurement source: SI p.S4 · Table S1 · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
crystallographic/inherent density	1.838 g cm-3	—	—	Text Exact Reported	main p.4 (journal p.17281) · 3.1. Structural Characterization
framework dimensionality	similar pillar-layered MOF supported by K+	—	—	Text Qualitative	main p.2 (journal p.17279) · Introduction
Table S1 Na1(K1)-O4B	2.388	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni1A-Ni1B	2.889	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni1A-Ni2A	2.712	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-Ni3B	3.167	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-Ni3D	6.006	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-O3B	2.171	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-O7A	2.244	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-O7A-Ni3B	89.78	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3B-Na1(K1)	3.003	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 O3B-O4B	5.841	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 O3B-O4D	3.745	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1

SXRD/PXRD structural interpretation and Table S1 distances

X-ray diffraction and scattering

as-synthesised Ni-mba-Na black fibrous product · Powder

Single-crystal diffraction on Bruker Smart-1000 CCD; PXRD/SXRD comparison; structural distances listed in SI Table S1.

Atmosphere: ambient unless otherwise specified
Geometry: crystal/powder
Context: pristine framework
Measurement source: main p.3-4 (journal p.17280-17281) · 3.1. Structural Characterization · Figures 1-2; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
crystallographic/inherent density	1.835 g cm-3	—	—	Text Exact Reported	main p.4 (journal p.17281) · 3.1. Structural Characterization
framework dimensionality	complex covalent 3D network	—	—	Text Qualitative	main p.3 (journal p.17280) · 3.1. Structural Characterization · Figure 1
PXRD/SXRD phase purity	peaks in PXRD observed in SXRD fitting diagrams, indicating high purities	—	—	Text Qualitative	main p.4 (journal p.17281) · 3.1. Structural Characterization · Figure S2a
Table S1 Na1(K1)-O4B	2.382	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni1A-Ni1B	2.88	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni1A-Ni2A	2.693	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-Ni3B	3.144	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-Ni3D	6.012	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-O3B	2.179	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-O7A	2.228	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3A-O7A-Ni3B	89.73	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 Ni3B-Na1(K1)	3.006	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 O3B-O4B	5.841	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1
Table S1 O3B-O4D	3.73	—	—	SI Table Exact Reported	SI p.S4-S5 · Table S1 · Table S1