Diffraction Structure — Efficient and Selective Uptake of TcO4- by a Cationic Metal-Organic Framework Material with Open Ag+ Sites

5 measurement groups · 16 results

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

pH-treated SCU-100 · Powder

SCU-100 soaked in HNO3 or NaOH solutions with pH 1-13 for 12 h; PXRD and subsequent ReO4- sorption checked.

Atmosphere: aqueous
Context: pH-treated pristine framework
Measurement source: 4 · Hydrolytic Stability Measurements · Figure 2; SI Figure S13

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
hydrolytic stability pH range	pH 1 to 13	—	—	Text Exact Reported	4 · Hydrolytical and Radiolytical Stability · Figure 2

SCU-100 crystals · Single Crystal

PXRD collected from 5 to 50 degrees 2theta with 0.02 degree step using Cu Kalpha radiation.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

beta/gamma irradiated SCU-100 · Powder

Beta irradiation: 1.2 MeV electron beams, 20 kGy/h, 80 and 200 kGy. Gamma irradiation: 60Co source, 1.2 kGy/h, 100 and 200 kGy.

Context: irradiated SCU-100 framework
Measurement source: 4 · beta and gamma Radiation Resistance Measurements · Figure 2; SI Figure S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
maximum beta dose with no observed structural degradation	200 kGy beta irradiation (1.2 MeV)	—	—	Text Exact Reported	4 · Hydrolytical and Radiolytical Stability · Figure 2
maximum gamma dose with no observed structural degradation	200 kGy 60Co gamma irradiation	—	—	Text Exact Reported	4 · Hydrolytical and Radiolytical Stability · Figure 2

ReO4- sorbed SCU-100 crystals · Single Crystal

SCU-100-Re single crystals analysed after ReO4- exchange; structure refined and compared to pristine SCU-100.

Temperature: room temperature
Context: guest-loaded ReO4- derivative
Measurement source: 6 · Sorption Mechanism · Figure 5; SI Table S1; SI Table S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
maximum Ag-O(Re) coordination distance	2.81 Å	—	—	Text Rounded Reported	6 · Sorption Mechanism · Figure 5c; SI Table S7
minimum Ag-O(Re) coordination distance	2.74 Å	—	—	Text Rounded Reported	6 · Sorption Mechanism · Figure 5c; SI Table S7
SCU-100-Re lattice parameter a	15.4983(11)	—	(11)	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1
SCU-100-Re lattice parameter c	7.6894(7)	—	(7)	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1
shortest ReO4- hydrogen-bond distance	2.40(4) Å	—	(4)	SI Table Exact Reported	S18 · Hydrogen bonds distances of SCU-100-Re · Table S7
SCU-100-Re space group	P-4	—	—	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1
SCU-100-Re unit-cell volume	1847.0(3)	—	(3)	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1

SCU-100 crystals · Single Crystal

Bruker D8-Venture, Mo-Kalpha radiation, room temperature; structures solved by direct methods and refined with SHELXTL-97.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
average Ag-N bond distance	2.094(2) Å	—	(2)	Text Exact Reported	4 · Synthesis and Structure of SCU-100 · Figure 1b
SCU-100 lattice parameter a	15.784(3)	—	(3)	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1
SCU-100 lattice parameter c	31.144(5)	—	(5)	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1
N-Ag-N bond angle	175.7(2) degrees	—	(2)	Text Exact Reported	4 · Synthesis and Structure of SCU-100 · Figure 1b
SCU-100 space group	P42/nbc	—	—	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1
SCU-100 unit-cell volume	7759(3)	—	(3)	SI Table Exact Reported	S14 · Crystal data and structure refinements · Table S1