Diffraction Structure — Conjugated Metal-Organic Macrocycles: Synthesis, Characterization, and Electrical Conductivity

4 measurement groups · 16 results

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

CuTOTP-OC18 bulk powder/pellet sample · Powder

High-resolution PXRD of dried and DMF-solvated CuTOTP-OR sealed in Kapton capillaries; Pawley refinement of lattice parameters.

Measurement source: SI S2 · General materials and methods · Table 1; Figs. S1-S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DMF-solvated lattice parameter a=b	56.91(02)	—	0.02	Table Exact Reported	main p.3 · Table 1 · Table 1
DMF-solvated lattice parameter c	3.24(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter a=b	55.86(06)	—	0.06	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter c	3.21(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1

CuTOTP-OC2 bulk powder/pellet sample · Powder

High-resolution PXRD of dried and DMF-solvated CuTOTP-OR sealed in Kapton capillaries; Pawley refinement of lattice parameters.

Measurement source: SI S2 · General materials and methods · Table 1; Figs. S1-S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DMF-solvated lattice parameter a=b	39.56(02)	—	0.02	Table Exact Reported	main p.3 · Table 1 · Table 1
DMF-solvated lattice parameter c	3.22(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter a=b	38.46(03)	—	0.03	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter c	3.19(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1

CuTOTP-OC4 bulk powder/pellet sample · Powder

High-resolution PXRD of dried and DMF-solvated CuTOTP-OR sealed in Kapton capillaries; Pawley refinement of lattice parameters.

Measurement source: SI S2 · General materials and methods · Table 1; Figs. S1-S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DMF-solvated lattice parameter a=b	42.3(02)	—	0.02	Table Exact Reported	main p.3 · Table 1 · Table 1
DMF-solvated lattice parameter c	3.23(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter a=b	40.16(02)	—	0.02	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter c	3.17(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1

CuTOTP-OC6 bulk powder/pellet sample · Powder

High-resolution PXRD of dried and DMF-solvated CuTOTP-OR sealed in Kapton capillaries; Pawley refinement of lattice parameters.

Measurement source: SI S2 · General materials and methods · Table 1; Figs. S1-S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DMF-solvated lattice parameter a=b	43.89(02)	—	0.02	Table Exact Reported	main p.3 · Table 1 · Table 1
DMF-solvated lattice parameter c	3.2(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter a=b	42.93(02)	—	0.02	Table Exact Reported	main p.3 · Table 1 · Table 1
dry lattice parameter c	3.17(01)	—	0.01	Table Exact Reported	main p.3 · Table 1 · Table 1