Diffraction Structure — De Novo Design and Facile Synthesis of Highly Crystalline 2D Conductive Metal-Organic Frameworks: A “Rotor-Stator” Strategy

5 measurement groups · 20 results

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

Cu-DCB-MOF black powder · Powder

MOFs immersed in DMF, DMSO, DCM, CHCl3, 1,4-dioxane, THF and methanol at room temperature for 3 days.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PXRD stability after solvent immersion	no significant PXRD alterations after 3 days in common organic solvents	—	—	Qualitative Qualitative	9040 · Stability of MOFs · Figure S45

Cu-DCB-MOF micrometer-sized crystal · Single Crystal

TEM JEM-F200, 200 kV; tilt range -44.9 to +62.2 deg; high vacuum below 1e-5 Pa; 298 K.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit-cell a	14.56 Angstrom	—	—	SI Table Exact Reported	S28 · Table S1 · Table S1
unit-cell b	22.78 Angstrom	—	—	SI Table Exact Reported	S28 · Table S1 · Table S1
unit-cell beta	98.43 deg	—	—	SI Table Exact Reported	S28 · Table S1 · Table S1
unit-cell c	4.93 Angstrom	—	—	SI Table Exact Reported	S28 · Table S1 · Table S1
CCDC accession	2306857	—	—	SI Table Exact Reported	S28 · Table S1 · Table S1
interlayer spacing	3.09 Angstrom	—	—	Text Exact Reported	9039 · Crystal Structure Analysis
space group	C2/m (No.12)	—	—	SI Table Exact Reported	S28 · Table S1 · Table S1

Cu-DCBBT-MOF black powder/crystals · Powder

TEM JEM-F200, 200 kV; tilt range -60.9 to +53.3 deg; high vacuum below 1e-5 Pa; 293 K.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CCDC accession	2306859	—	—	SI Table Exact Reported	S30 · Table S3 · Table S3
space group	C2/m (No.12)	—	—	SI Table Exact Reported	S30 · Table S3 · Table S3
unit-cell parameters	a = 13.92 Angstrom, b = 22.67 Angstrom, c = 4.95 Angstrom, beta = 98.86 deg	—	—	SI Table Exact Reported	S30 · Table S3 · Table S3

Cu-DCBT-MOF black powder/crystals · Powder

TEM JEM-F200, 200 kV; tilt range -57.9 to +62.1 deg; high vacuum below 1e-5 Pa; 298 K.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CCDC accession	2306858	—	—	SI Table Exact Reported	S29 · Table S2 · Table S2
space group	C1m1 (No.8)	—	—	SI Table Exact Reported	S29 · Table S2 · Table S2
unit-cell parameters	a = 14.49 Angstrom, b = 23.11 Angstrom, c = 4.87 Angstrom, beta = 99.22 deg	—	—	SI Table Exact Reported	S29 · Table S2 · Table S2

Cu-DCB-MOF black powder · Powder

SmartLab diffractometer, pure Cu Kalpha1 radiation, capillary transmission mode, 5-50 deg, 0.01 deg step, 7.5 h counting.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pawley Rp	Rp = 2.07%	—	—	Text Exact Reported	9039 · Crystal Structure Analysis · Figure 1b
Pawley Rwp	Rwp = 2.31%	—	—	Text Exact Reported	9039 · Crystal Structure Analysis · Figure 1b
Pawley Rp	Rp = 4.20%	—	—	Figure Axis Rounded Reported	9038 · Figure 2 · Figure 2f
Pawley Rwp	Rwp = 3.97%	—	—	Figure Axis Rounded Reported	9038 · Figure 2 · Figure 2f
Pawley Rp	Rp = 4.69%	—	—	Figure Axis Rounded Reported	9038 · Figure 2 · Figure 2a
Pawley Rwp	Rwp = 3.55%	—	—	Figure Axis Rounded Reported	9038 · Figure 2 · Figure 2a