Diffraction Structure — Monovalent K, Cs, Tl, and Ag nitrosodicyanomethanides: Completely different 3D networks with useful properties of luminescent materials and nonelectric sensors for gases†

3 measurement groups · 10 results

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

Ag{ONC(CN)2} bright deep-yellow microcrystalline powder · Powder

Single crystal grown from hot saturated water solution upon slow cooling; room-temperature structure solution/refinement.

Temperature: 294 in main Table 2; 296(2) in CIF
Atmosphere: crystal mounted in Paraton oil
Geometry: omega-scan single-crystal diffraction
Context: pristine crystal
Measurement source: p004 / journal page 2374 · X-ray Crystallography · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
shortest Ag-N bond	Ag1-N2 = 2.232(3) Angstrom	—	(3)	SI Table Exact Reported	CIF text · data_agcco-7; _geom_bond_distance
crystallographic density	2.823 g/cm3	—	—	Table Exact Reported	p003 / journal page 2373 · Crystal and Refinement Data · Table 2
R1 for I > 2sigma(I)	R1 = 0.0237	—	—	Table Exact Reported	p003 / journal page 2373 · Crystal and Refinement Data · Table 2
space group	Pbca	—	—	Table Exact Reported	p003 / journal page 2373 · Crystal and Refinement Data · Table 2

Cs{ONC(CN)2} yellow-orange crystals / fine powder · Powder

Single crystals obtained from aqueous solution upon slow evaporation at 4 deg C; room-temperature structure solution/refinement.

Temperature: 296
Atmosphere: crystal mounted in Paraton oil
Geometry: omega-scan single-crystal diffraction
Context: pristine crystal
Measurement source: p004 / journal page 2374 · X-ray Crystallography · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
number of Cs electrostatic contacts	10 contacts ranging from 3.053 to 3.653 Angstrom	—	—	Text Exact Reported	p007 / journal page 2377 · Cs{ONC(CN)2} · SI S8
crystallographic density	2.606 g/cm3	—	—	Table Exact Reported	p003 / journal page 2373 · Crystal and Refinement Data · Table 2
space group	P2(1)/c	—	—	Table Exact Reported	p003 / journal page 2373 · Crystal and Refinement Data · Table 2

Tl{ONC(CN)2} dark-orange prisms / fine powder · Powder

Single crystals obtained from aqueous solution upon slow evaporation/crystallisation at 4 deg C; room-temperature structure solution/refinement.

Temperature: 296 in main Table 2; 293(2) in CIF
Atmosphere: crystal mounted in Paraton oil
Geometry: single-crystal diffraction
Context: pristine crystal
Measurement source: p004 / journal page 2374 · X-ray Crystallography · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
crystallographic density	3.820 g/cm3	—	—	Table Exact Reported	p003 / journal page 2373 · Crystal and Refinement Data · Table 2
space group	C2/c	—	—	Table Exact Reported	p003 / journal page 2373 · Crystal and Refinement Data · Table 2
short Tl-O bond	Tl1-O1 = 2.749 Angstrom	—	—	Text Rounded Reported	p007 / journal page 2377 · Tl{ONC(CN)2} · SI S9