Diffraction Structure — Iodine-induced electrical conductivity of novel columnar lanthanide metal-organic frameworks based on a butterfly-shaped π-extended tetrathiafulvalene ligand

5 measurement groups · 15 results

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

iodine-treated Tb-MOF bulk powder · Powder

Iodine-treated Tb-MOF PXRD compared with pristine and simulated patterns.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
iodine-treated Tb-MOF PXRD phase retention	I2-treated PXRD in good agreement with pristine; mostly crystalline, with slightly broader and weaker signals	—	—	Text Qualitative	p002 / article page 6158 · PXRD discussion · Fig. S3

pristine Tb-MOF bulk powder/crystals · Powder

Rigaku Ultima IV X-ray diffractometer with Cu Kalpha radiation, lambda = 1.5406 Angstrom, CCD area detector.

Context: Pristine powder compared with simulated pattern.
Measurement source: p001 / SI page S1 · General Materials and Methods · Fig. S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pristine Tb-MOF PXRD phase match	experimental and simulated PXRD patterns in good agreement	—	—	Text Qualitative	p002 / article page 6158 · PXRD discussion · Fig. S3

pristine Er-MOF crystals/powder · Powder

Bruker/SHELXTL single-crystal structure refinement with Multi-Scan absorption correction.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Er-MOF unit cell volume	3172.5(5) Angstrom^3	3172.5 Angstrom^3	(5)	SI Table Exact Reported	p026 / SI page S26 · Table S8 · Table S8
Er-MOF observed-data R1	R1 = 4.66%	0.0466 fraction	—	Text Exact Reported	p004 / SI page S4 · Crystal Structure Report for Er-MOF · Table S9
Er-MOF space group	triclinic P -1	—	—	SI Table Exact Reported	p026 / SI page S26 · Table S8 · Table S8
Er-MOF Ln-O bond length range	2.236(8)-2.462(4) Angstrom	—	—	Text Range	p002 / article page 6158 · Structure discussion

pristine Eu-MOF crystals/powder · Powder

Bruker/SHELXTL single-crystal structure refinement.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Eu-MOF unit cell volume	3211.1(3) Angstrom^3	3211.1 Angstrom^3	(3)	SI Table Exact Reported	p048 / SI page S48 · Table S15 · Table S15
Eu-MOF observed-data R1	R1 = 5.08%	0.0508 fraction	—	Text Exact Reported	p005 / SI page S5 · Crystal Structure Report for Eu-MOF · Table S16
Eu-MOF space group	triclinic P -1	—	—	SI Table Exact Reported	p048 / SI page S48 · Table S15 · Table S15
Eu-MOF Ln-O bond length range	2.352(4)-2.500(5) Angstrom	—	—	Text Range	p002 / article page 6158 · Structure discussion

pristine Tb-MOF bulk powder/crystals · Powder

Bruker D8 Venture dual source diffractometer; structure solved/refined with Bruker SHELXTL package.

Temperature: 150(2)
Geometry: single crystal 0.098 x 0.241 x 0.279 mm
Context: Pristine framework structure.
Measurement source: p004-p005 / SI pages S4-S5 · Crystal Structure Report for Tb-MOF · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ExTTFTB 1,3-dithiolene ring dihedral angles in Ln-MOFs	65-67 degrees	—	—	Text Range	p002 / article page 6158 · Structure discussion
Tb-MOF Ln-O bond length range	2.296(7)-2.507(4) Angstrom	—	—	Text Range	p002 / article page 6158 · Structure discussion
Tb-MOF unit cell volume	3201.8(3) Angstrom^3	3201.8 Angstrom^3	(3)	SI Table Exact Reported	p005 / SI page S5 · Table S1 · Table S1
Tb-MOF observed-data R1	R1 = 4.89%	0.0489 fraction	—	Text Exact Reported	p004 / SI page S4 · Crystal Structure Report for Tb-MOF · Table S2
Tb-MOF space group	triclinic P -1	—	—	SI Table Exact Reported	p005 / SI page S5 · Table S1 · Table S1