Diffraction Structure — Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: Great enhancement of stability and gas adsorption

4 measurement groups · 17 results

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

IFMC-68/IFMC-69 intermediate transformation mixture · Single Crystal

IFMC-68 heated in a sealed Teflon reactor at 140 C for 6, 12, 18, 21, 24, 48, and 72 h.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Solid-state transformation completion at 140 C	IFMC-69 obtained after 24 h and up to 72 h	—	—	Text Exact Reported	p004 / 1371 · Results and discussion · Fig. 4
Solid-state transformation at 140 C for 6 h	still IFMC-68	—	—	Text Qualitative	p004 / 1371 · Results and discussion · Fig. 4
Solid-state transformation intermediate window	intermediate for 12-21 h	—	—	Text Range	p004 / 1371 · Results and discussion · Fig. 4

as-synthesised IFMC-69 colourless crystals · Single Crystal

IFMC-68 exposed to air for 0, 2, and 6 h; IFMC-69 exposed to air up to two months.

Temperature: room temperature
Atmosphere: air
Context: pristine IFMC-68 versus IFMC-69 stability
Measurement source: p005 / 1372 · Results and discussion · Fig. S16, Fig. S17

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IFMC-68 air stability	framework collapsed after 6 h in air	—	—	Text Exact Reported	p005 / 1372 · Results and discussion · Fig. S16
IFMC-69 air stability	framework integrity retained after 2 months in air	—	—	Text Exact Reported	p005 / 1372 · Results and discussion · Fig. S17

as-synthesised IFMC-68 colourless crystals · Single Crystal

Bruker Apex CCD, Mo-Kalpha radiation; structure solved/refined with SHELXS/SHELXL and PLATON SQUEEZE.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IFMC-68 unit-cell a	a = 26.669(3) Angstrom	—	(3)	Text Exact Reported	text CIF data_mm · cell parameters
IFMC-68 unit-cell c	c = 86.622(4) Angstrom	—	(4)	Text Exact Reported	text CIF data_mm · cell parameters
IFMC-68 unit-cell volume	V = 53355(9) Angstrom^3	—	(9)	Text Exact Reported	text CIF data_mm · cell parameters
IFMC-68 calculated free porosity	80%	—	—	Text Exact Reported	p002 / 1369 · Results and discussion · Fig. 1
IFMC-68 space group	trigonal R-3c	—	—	Text Qualitative	p002 / 1369 · Results and discussion
IFMC-68 framework topology	3D (4,6)-connected non-interpenetrated corundum structure	—	—	Text Qualitative	p002 / 1369 · Results and discussion · Fig. 1

as-synthesised IFMC-69 colourless crystals · Single Crystal

Bruker Apex CCD, Mo-Kalpha radiation; structure solved/refined with SHELXS/SHELXL and PLATON SQUEEZE.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IFMC-69 unit-cell a	a = 23.9647(14) Angstrom	—	(14)	Text Exact Reported	text CIF data_23 · cell parameters
IFMC-69 unit-cell volume	V = 13763.1(14) Angstrom^3	—	(14)	Text Exact Reported	text CIF data_23 · cell parameters
IFMC-69 channel diameter	6.46 Angstrom	—	—	Caption Exact Reported	p009 · S4. Figures in Supporting Information · Fig. S8
IFMC-69 calculated free volume	37.9%	—	—	Text Exact Reported	p002 / 1369 · Results and discussion
IFMC-69 space group	cubic P23	—	—	Text Qualitative	p006 / 1373 · Notes and references
IFMC-69 framework topology	3D (4,7)-connected self-penetrated net	—	—	Text Qualitative	p002 / 1369 · Results and discussion · Fig. S2, Fig. S3