cMOF Evidence Base
Diffraction Structure — Coexistence of ferromagnetism and metallic conductivity in a molecule-based layered compound

Measurement evidence

Diffraction Structure

Coexistence of ferromagnetism and metallic conductivity in a molecule-based layered compound · Coronado E., Galan-Mascaros J.R., Gomez-Garcia C.J. et al. · Nature · 2000 · 447-449

2 measurement groups · 13 results

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

Single-crystal X-ray diffraction and structure refinement

X-ray diffraction and scattering

Thin shiny brown plate-like single crystals of [BEDT-TTF]3[MnCr(C2O4)3] · Single Crystal

Data obtained at 120 K; final refinement used 1,317 reflections and 151 parameters for I > 4 sigma.

Temperature
120
Geometry
Single crystal
Context
Pristine target mixed-metal layered salt.
Measurement source
main p.2, article p.448 · Structure paragraph · Fig. 1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Unit-cell a parametera = 5.17(2) Angstrom—(2)Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Unit-cell alpha anglealpha = 87.15(5) degrees—(5)Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Unit-cell b parameterb = 6.38(2) Angstrom—(2)Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Unit-cell beta anglebeta = 85.12(5) degrees—(5)Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Unit-cell c parameter / interlayer repeatc = 16.61(6) Angstrom—(6)Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Unit-cell gamma anglegamma = 66.60(5) degrees—(5)Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Unit-cell volumeV = 501(3) Angstrom^3—(3)Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Refinement R1R1 = 7.5%——Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Refinement RwRw = 18.77——Text
Exact Reported		main p.2, article p.448 · Structure paragraph
Triclinic sublattice space groupP-1——Text
Exact Reported		main p.2, article p.448 · Structure paragraph

Crystallographic structural model and layer representation

Thin shiny brown plate-like single crystals of [BEDT-TTF]3[MnCr(C2O4)3] · Single Crystal

Structural model shown as bimetallic layers, BEDT-TTF organic layer and alternating organic/inorganic layers.

Geometry
Layered single-crystal structure
Context
Pristine target mixed-metal layered salt.
Measurement source
main p.1, article p.447 · Figure caption · Fig. 1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Alternating organic/inorganic layered structureOrganic layers of BEDT-TTF cations alternate with honeycomb layers of [MnCr(C2O4)3]-.——Text
Qualitative		main p.2, article p.448 · Structure paragraph · Fig. 1
Estimated positive charge on BEDT-TTF+0.34——Text
Approximate		main p.2, article p.448 · Structure paragraph
BEDT-TTF tilt angle relative to inorganic layer45 degrees——Text
Rounded Reported		main p.2, article p.448 · Structure paragraph