Diffraction Structure — Chemical structure modulation in conductive MOFs by adjusting the oxidation state of the ligand and introducing alkali metal ions

3 measurement groups · 23 results

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

MnCsTHBQ powder · Powder

Debye-Scherrer transmission configuration; BL14B1 Shanghai Synchrotron Radiation Facility; wavelength about 0.69003 A.

Temperature: 293
Geometry: Powder diffraction
Context: mixed-metal pristine framework powder
Measurement source: p. 5 · Supporting figures and tables · Table S1; Figure S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Lattice parameter a	7.844 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Lattice parameter c	6.985 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
C6-Cs-C6 inter-dimer distance	4.303 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S2
C6-Mn-C6 interplanar distance	2.682 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S2
Rietveld GOF	1.89	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Rietveld Rwp	3.40	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Space group	P6/mmm	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Unit-cell volume	372.196 A^3	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1

MnHHB dark-blue powder · Powder

Debye-Scherrer transmission configuration; BL14B1 Shanghai Synchrotron Radiation Facility; wavelength about 0.69003 A.

Temperature: 293
Geometry: Powder diffraction
Context: pristine framework powder
Measurement source: p. 2 · Synchrotron powder XRD and structure determination · Table S1; Figure S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Lattice parameter a	7.4696 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Lattice parameter c	5.847 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
C6-Mn1-C6 interplanar distanceMarked as a best value within this paper	2.924 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S2
Rietveld GOF	3.16	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Rietveld Rwp	7.44	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Space group	P6/mmm	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Unit-cell volume	282.526 A^3	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1

MnRbTHBQ powder · Powder

Debye-Scherrer transmission configuration; BL14B1 Shanghai Synchrotron Radiation Facility; wavelength about 0.69003 A.

Temperature: 293
Geometry: Powder diffraction
Context: mixed-metal pristine framework powder
Measurement source: p. 5 · Supporting figures and tables · Table S1; Figure S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Lattice parameter a	7.851 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Lattice parameter c	6.462 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
C6-Mn-C6 interplanar distance	3.069 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S2
C6-Rb-C6 inter-dimer distance	3.393 A	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S2
Rietveld GOF	3.29	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Rietveld Rwp	7.42	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Space group	P6/mmm	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1
Unit-cell volume	344.943 A^3	—	—	SI Table Exact Reported	p. 10 · Supporting figures and tables · Table S1