Diffraction Structure — Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing

6 measurement groups · 35 results

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

Bi(HHTP)-alpha MicroED crystal · Single Crystal

Thermo Fisher Talos F200C/CetaD; 200 keV; CIF data_merge_a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Bi(HHTP)-alpha cell length a	16.220(13)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-alpha cell length b	8.030(4)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-alpha cell angle beta	94.4(2)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-alpha cell length c	20.020(6)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-alpha space group	P 21/c	—	—	Text Qualitative	CIF symmetry
Bi(HHTP)-alpha topology	2,3-C4 topological type net	—	—	Caption Qualitative	S14-S15 · Standard representation · Figure S15
Bi(HHTP)-alpha cell volume	2600(3)	—	—	Text Exact Reported	CIF cell data

Bi(HHTP)-beta hydrated MicroED crystal · Single Crystal

CIF data_mov01_a; hydrated/water-containing beta form

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Bi(HHTP)-beta cell length a	16.490(7)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-beta cell length b	7.760(3)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-beta cell angle beta	96.70(5)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-beta cell length c	20.65(2)	—	—	Text Exact Reported	CIF cell data
Bi(HHTP)-beta space group	P 21/c	—	—	Text Qualitative	CIF symmetry
Bi(HHTP)-beta topology	3,4,4,5-c nodal net; point symbol {42.62.82}{42.6}{43.63.84}{43.63}	—	—	Caption Qualitative	S14-S15 · Standard representation · Figure S16
Bi(HHTP)-beta cell volume	2624(3)	—	—	Text Exact Reported	CIF cell data

NH3-exposed Bi(HHTP) · Powder

Bi(HHTP) exposed to 10,000 ppm NH3 for 1 h; CIF BiHHTP_NH3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
NH3-exposed Bi(HHTP) cell length a	16.490(6)	—	—	Text Exact Reported	CIF cell data
NH3-exposed Bi(HHTP) cell length b	7.840(11)	—	—	Text Exact Reported	CIF cell data
NH3-exposed Bi(HHTP) cell angle beta	98.06(7)	—	—	Text Exact Reported	CIF cell data
NH3-exposed Bi(HHTP) cell length c	20.95(6)	—	—	Text Exact Reported	CIF cell data
NH3-exposed space group	P 21/c	—	—	Text Qualitative	CIF symmetry
NH3-exposed Bi(HHTP) cell volume	2682(8)	—	—	Text Exact Reported	CIF cell data

NO-exposed Bi(HHTP) · Powder

Bi(HHTP) exposed to 10,000 ppm NO for 1 h; CIF BiHHTP_NO

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
NO-exposed Bi(HHTP) cell length a	16.51(3)	—	—	Text Exact Reported	CIF cell data
NO-exposed Bi(HHTP) cell length b	7.790(10)	—	—	Text Exact Reported	CIF cell data
NO-exposed Bi(HHTP) cell angle beta	97.1(2)	—	—	Text Exact Reported	CIF cell data
NO-exposed Bi(HHTP) cell length c	20.59(5)	—	—	Text Exact Reported	CIF cell data
NO-exposed space group	P 21/c	—	—	Text Qualitative	CIF symmetry
NO-exposed Bi(HHTP) cell volume	2628(8)	—	—	Text Exact Reported	CIF cell data

Bi(HHTP)-alpha MicroED crystal · Single Crystal

BIOVIA Materials Studio Pawley refinement of activated Bi(HHTP)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pawley Rp	12.54%	—	—	Text Exact Reported	S32 · Pawley Refinement · Figure S32
Pawley Rwp	7.07%	—	—	Text Exact Reported	S32 · Pawley Refinement · Figure S32

Bi(HHTP) powder from Procedure 2, 1:1 metal:ligand · Powder

Experimental pXRD pattern of Bi(HHTP); Bragg-law d-spacings assigned to hkl planes

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pXRD interatomic distance (002)	10.6 Å	—	—	Text Exact Reported	60308 · Synthesis and Characterization · Figure 2
pXRD interatomic distance (102bar)	8.7 Å	—	—	Text Exact Reported	60308 · Synthesis and Characterization · Figure 2
pXRD interatomic distance (200)	8.0 Å	—	—	Text Exact Reported	60308 · Synthesis and Characterization · Figure 2
pXRD interatomic distance (202)	5.9 Å	—	—	Text Exact Reported	60308 · Synthesis and Characterization · Figure 2
pXRD interatomic distance (202bar)	6.3 Å	—	—	Text Exact Reported	60308 · Synthesis and Characterization · Figure 2
pXRD interatomic distance (321bar)	3.3 Å	—	—	Text Exact Reported	60308 · Synthesis and Characterization · Figure 2
principal pXRD peak	8.36 degrees 2theta	—	—	Text Exact Reported	60308 · Synthesis and Characterization · Figure 2