Diffraction Structure — A Mixed Heterobimetallic Y/Eu-MOF for the Cyanosilylation and Hydroboration of Carbonyls

4 measurement groups · 15 results

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

Y/Eu-MOF crystalline catalyst · Single Crystal

Shape analysis for MN3O6 and MO8 coordination environments.

Context: pristine mixed-metal framework
Measurement source: S15-S16 · 8. Continuous Shape Measurements · Tables S5-S6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
MN3O6 best continuous-shape metricMarked as a best value within this paper	TCTPR-9 = 0.666	—	—	SI Table Exact Reported	S15 · 8. Continuous Shape Measurements · Table S5
MO8 best continuous-shape metricMarked as a best value within this paper	TDD-8 = 2.693	—	—	SI Table Exact Reported	S16 · 8. Continuous Shape Measurements · Table S6

Y/Eu-MOF crystalline catalyst · Single Crystal

Philips X'PERT powder diffractometer, Cu K alpha radiation, 5 < 2 theta < 50 deg, 0.02 deg step, 2.5 s per step at 25 C; FULLPROF indexation.

Temperature: 298
Context: pristine mixed-metal framework
Measurement source: S4, S13 · General experimental information; 6. Powder X-ray diffraction analysis · Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

Y/Eu-MOF crystalline catalyst · Single Crystal

Phase and ligand/framework confirmation; detailed plots are in missing SI Figures S1 and S2.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
formula confirmation by PXRD/FTIR	The proposed formula is derived by single-crystal X-ray diffraction, powder X-ray diffraction, SEM-EDX, and ICP-AES.	—	—	Text Qualitative	3 · 2.2 Chemical Composition

Y/Eu-MOF crystalline catalyst · Single Crystal

Data collected at 100(2) K with Mo K alpha radiation; solved with SHELXT and refined with SHELXL-2018/3.

Temperature: 100(2)
Context: pristine mixed-metal framework
Measurement source: S4, S8 · General experimental information; 4. Crystallographic data · Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
unit cell a	15.8510(3) A	—	(3)	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
unit cell b	15.8510(3) A	—	(3)	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
unit cell c	16.8255(7) A	—	(7)	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
unit cell volume	3661.1(2) A3	—	(2)	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
crystal system	hexagonal	—	—	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
calculated density	2.193 g/cm3	—	—	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
crystallographic/analytical formulaMarked as a best value within this paper	C78H115N18O36Y3.5Eu1.5	—	—	SI Table Exact Reported	S7-S8 · Chemical characterization; Crystallographic data · Tables S1-S3
framework dimensionality	three-dimensional porous metal-organic framework	—	—	Text Exact Reported	2 · 2.1 Preparation of the Catalyst
formula molecular weight	2419.98	—	—	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
R1 for I>=2sigma(I)	R1 = 0.0276	—	—	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
space groupMarked as a best value within this paper	P63/m (176)	—	—	SI Table Exact Reported	S8 · 4. Crystallographic data · Table S3
network topology	acs network with (4^9.6^6) point symbol	—	—	Text Exact Reported	2 · 2.1 Preparation of the Catalyst