Diffraction Structure — Conductive Lanthanide Metal-Organic Frameworks with Exceptionally High Stability

6 measurement groups · 29 results

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

Gd4-MOF after MnO4- anion exchange · Single Crystal

as-synthesised versus after adsorption with MnO4-

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
structure after MnO4- exchange	PXRD suggests structure did not change	—	—	Text Qualitative	16 · Figure S28 text · Figure S28

as-synthesised Gd4-MOF single crystals · Single Crystal

as-synthesised Gd4-MOF compared with simulated PXRD

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PXRD phase match	experimental and theoretical values perfectly match	—	—	Text Qualitative	2 · PXRD characterisation · Figure 1d

as-synthesised Gd4-MOF single crystals · Single Crystal

Cu Kalpha radiation, 100 or 256 K; SHELXTL-97 refinement

Temperature: 100 or 256
Atmosphere: not specified
Geometry: single crystal
Context: pristine framework
Measurement source: 2 · 3 Single-crystal X-ray structure determination · Table S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a parameter	21.2864	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell b parameter	21.2864	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell c parameter	6.3322	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell volume	2484.79	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
free channel diameter	14.5 A	—	—	Text Exact Reported	2 · Structure description · Figures 1a, 1c, S4, and S5
calculated crystal density	2.06	—	—	SI Table Exact Reported	20 · Crystal data · Table S4
formula weight	1541.59	—	—	SI Table Exact Reported	20 · Crystal data · Table S4
hydrogen-bonding interaction distance	2.750 A	—	—	Text Exact Reported	2 · Structure description · Figure 1c
pi-pi stacking distance	3.351 A	—	—	Text Exact Reported	2 · Structure description · Figure 1c
space group	P63mc	—	—	SI Table Exact Reported	20 · Crystal data · Table S4

as-synthesised Gd4-MOF single crystals · Single Crystal

Gd4-MOF immersed in pH 1 HCl, pH 12 NaOH, water 100 C, and stored 2 years; Tm/Lu pH 1 and 12 in SI

Atmosphere: aqueous acid/base/water
Geometry: bulk crystals
Context: treated pristine framework
Measurement source: 3 · Stability evaluation · Figure 3a and Figures S19-S21

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PXRD retention after harsh solution treatment	No noticeable changes after boiling water, acidic/basic solution, and 2-year storage	—	—	Text Qualitative	3 · Stability evaluation · Figure 3a and Figures S19-S21

as-synthesised Lu4-MOF single crystals · Single Crystal

Cu Kalpha radiation, 100 or 256 K; SHELXTL-97 refinement

Temperature: 100 or 256
Atmosphere: not specified
Geometry: single crystal
Context: pristine framework
Measurement source: 2 · 3 Single-crystal X-ray structure determination · Table S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a parameter	21.2218	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell b parameter	21.2218	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell c parameter	6.2635	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell volume	2442.94	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
calculated crystal density	2.192	—	—	SI Table Exact Reported	20 · Crystal data · Table S4
formula weight	1612.46	—	—	SI Table Exact Reported	20 · Crystal data · Table S4
pi-pi stacking distance	3.335 A	—	—	Figure Axis Rounded Reported	2 · Figure 2 · Figure 2c
space group	P63mc	—	—	SI Table Exact Reported	20 · Crystal data · Table S4

as-synthesised Tm4-MOF single crystals · Single Crystal

Cu Kalpha radiation, 100 or 256 K; SHELXTL-97 refinement

Temperature: 100 or 256
Atmosphere: not specified
Geometry: single crystal
Context: pristine framework
Measurement source: 2 · 3 Single-crystal X-ray structure determination · Table S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a parameter	21.2118	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell b parameter	21.2118	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell c parameter	6.265	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
unit-cell volume	2441.22	—	parenthetical standard uncertainty in source	SI Table Exact Reported	20 · Crystal data · Table S4
calculated crystal density	2.161	—	—	SI Table Exact Reported	20 · Crystal data · Table S4
formula weight	1588.33	—	—	SI Table Exact Reported	20 · Crystal data · Table S4
pi-pi stacking distance	3.321 A	—	—	Figure Axis Rounded Reported	2 · Figure 2 · Figure 2c
space group	P63mc	—	—	SI Table Exact Reported	20 · Crystal data · Table S4