Diffraction Structure — Ni(II)-Based Coordination Polymer with Pi-Conjugated Organic Linker as Catalyst for Oxygen Evolution Reaction Activity

4 measurement groups · 12 results

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

CP 1 catalyst ink drop-cast on glassy carbon electrode · Electrode

PXRD pattern of CP 1 before and after OER analysis.

Temperature: room temperature
Geometry: post-electrolysis catalyst
Context: CP 1 after OER
Measurement source: 2726 · 3.1 Electrocatalytic Water Oxidation · Figure S6B

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
post-OER PXRD structural integrity	overall PXRD pattern remained intact, with slight left shift	—	—	Text Qualitative	2726 · 3.1 Electrocatalytic Water Oxidation · Figure S6B

as-synthesised CP 1 blue needle-shaped crystals · Single Crystal

Rigaku Smart Lab; Cu-Kalpha; 2theta 5 to 50 degrees; room temperature.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

as-synthesised CP 1 blue needle-shaped crystals · Single Crystal

Agilent Supernova diffractometer; Cu Kalpha radiation; structure solved with SHELXS/SHELXL and Olex2; PLATON/SQUEEZE used for disordered solvent.

Temperature: 150
Geometry: single crystal
Context: pristine CP 1
Measurement source: 2723 · 2.4 Crystal Structure X-ray Diffraction Analysis · Tables S1 and S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a axis	17.2579(6)	—	(6)	SI Table Exact Reported	3 · Table S1 · Table S1
unit-cell b axis	22.5688(5)	—	(5)	SI Table Exact Reported	3 · Table S1 · Table S1
unit-cell c axis	12.8893(6)	—	(6)	SI Table Exact Reported	3 · Table S1 · Table S1
unit-cell volume	5020.3(3)	—	(3)	SI Table Exact Reported	3 · Table S1 · Table S1
rectangular channel dimension 1	8	—	—	Text Rounded Reported	2724 · Results and Discussion · Figure 1D
rectangular channel dimension 2	12	—	—	Text Rounded Reported	2724 · Results and Discussion · Figure 1D
calculated density	1.035	—	—	SI Table Exact Reported	3 · Table S1 · Table S1
goodness-of-fit on F2	1.119	—	—	SI Table Exact Reported	3 · Table S1 · Table S1
Ni1-N2 bond length	2.105	—	—	SI Table Exact Reported	4 · Table S2 · Table S2
Ni1-O1 bond length	2.059	—	—	SI Table Exact Reported	4 · Table S2 · Table S2
space group	Cmca	—	—	SI Table Exact Reported	3 · Table S1 · Table S1

as-synthesised CP 2 blue crystals · Single Crystal

PXRD pattern of CP 2 compared with simulated CP 2.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source