cMOF Evidence Base
Diffraction Structure — Tuning the Electrical Conductivity of Bimetallic Co–Mn-Based MOFs via Precisely Regulating the Atomic Content of Metal Centers and Study on Their Dye Adsorption Properties

Measurement evidence

Diffraction Structure

Tuning the Electrical Conductivity of Bimetallic Co–Mn-Based MOFs via Precisely Regulating the Atomic Content of Metal Centers and Study on Their Dye Adsorption Properties · Hazarika U.N., Sonowal K., Mostako A.T.T. et al. · Inorganic Chemistry · 2025 · 15748-15759

5 measurement groups · 32 results

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

Bond-length values annotated on structural figure

As-synthesised MOF2 · Powder

SI Figure S5 compares M-O and C-O bond lengths for Mn-F, MOF2 and Co-F.

Context
pristine as-synthesised mixed-metal framework with DMA guests
Measurement source
SI p.S4 · Figure S5 · Figure S5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
MOF2 C-O bond length1.239 A——Visual Estimate
Rounded Reported		SI p.S4 · Figure S5
MOF2 M-O bond length 22.163 A——Visual Estimate
Rounded Reported		SI p.S4 · Figure S5
MOF2 M-O bond length 12.164 A——Visual Estimate
Rounded Reported		SI p.S4 · Figure S5

Powder X-ray diffraction

X-ray diffraction and scattering

As-synthesised MOF1-MOF9 bulk series · Powder

Bruker D8 Advance A25, Cu K-alpha radiation, 2theta 5-80 deg; PXRD spectra collected for MOF series.

Measurement source
main p.2-4, article p.15749-15751 · 2.1 General; Results and discussion · Figure 1d/e
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD structural assignmentMOF1-MOF9 described as crystalline isostructural bimetallic formate frameworks——Text
Qualitative		main p.3, article p.15750 · Results and discussion · Figure 1d

Single-crystal X-ray diffraction

X-ray diffraction and scattering

As-synthesised MOF2 · Powder

Agilent SuperNova E, Mo source; only MOF2 and MOF3 crystals suitable for SCXRD.

Measurement source
main p.3, article p.15750 · Results and discussion · Figure 1; Figure S2; Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
metal-site occupationone metal position statistically occupied by Mn2+ and Co2+ ions in an alternate way——Text
Qualitative		main p.3, article p.15750 · Results and discussion · Figure 1
crystal system and space grouptrigonal crystal system and R3c-bar space group——Text
Exact Reported		main p.3, article p.15750 · Results and discussion · Figure 1

Single-crystal X-ray diffraction refinement

X-ray diffraction and scattering

As-synthesised MOF2 · Powder

SI Table S1 reports MOF2 unit-cell and refinement parameters; Mo source wavelength 0.71073 A, T = 296(2) K.

Temperature
296(2)
Context
pristine as-synthesised mixed-metal framework with DMA guests
Measurement source
SI p.S9-S10 · Table S1 · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
MOF2 a axis8.2744(6) A——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 alpha angle90.00 deg——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 b axis8.2744(6) A——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 beta angle90.00 deg——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 c axis22.659(4) A——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 crystal systemTrigonal——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 calculated density1.802 g cm^-3——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 gamma angle120.00 deg——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 R index all data0.0431——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 R index [I > 2sigma(I)]0.0410——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 space groupR-3c——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 temperature296(2) K——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 unit-cell volume1343.5(3) A^3——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 X-ray wavelength0.71073 A——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1
MOF2 Z2——SI Table
Exact Reported		SI p.S9-S10 · Table S1 · Table S1

Single-crystal X-ray diffraction cell/reflection summary

X-ray diffraction and scattering

As-synthesised MOF3 · Powder

SI Table S1 reports MOF3 cell/reflection parameters; Mo source wavelength 0.71073 A.

Context
pristine as-synthesised mixed-metal framework with DMA guests
Measurement source
SI p.S10 · Table S1 · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
MOF3 a axis8.297(2) A——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 alpha angle90.00 deg——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 b axis8.297 A——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 beta angle90.00 deg——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 c axis22.696(8) A——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 crystal systemRhombohedral——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 gamma angle120.00 deg——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 reflections I > 2sigma(I)89——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 2theta range17.54 deg < 2theta < 62.68 deg——SI Table
Range		SI p.S10 · Table S1 · Table S1
MOF3 unit-cell volume1353.2(5) A^3——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1
MOF3 X-ray wavelength0.71073 A——SI Table
Exact Reported		SI p.S10 · Table S1 · Table S1