Diffraction Structure — Crystal Structure and Electrochemical and Charge Transfer Properties in Redox-Active Coordination Polymers Based on a Truncated Tetrathiafulvalene Linker

Measurement evidence

Diffraction Structure

Crystal Structure and Electrochemical and Charge Transfer Properties in Redox-Active Coordination Polymers Based on a Truncated Tetrathiafulvalene Linker · Yang Z.-M., Li Y.-Y., Zhou X.-C. et al. · Crystal Growth and Design · 2022 · 4941-4947

5 measurement groups · 12 results

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

PXRD and thermogravimetric analysis

as-synthesised Cd-m-TTFTB red rod-like crystals · Powder

PXRD at room temperature; TGA at 10 C/min under N2.

Temperature
room temperature
Atmosphere
N2 for TGA
Context
bulk pristine Cd-m-TTFTB
Measurement source
S1 · Materials and Methods · Figure 3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cd-m-TTFTB PXRD phase agreementexperimental PXRD peak positions agree with simulated patternText
Qualitative
p004 / journal page 4944 · PXRD and TGA · Figure 3a
Cd-m-TTFTB thermal stability thresholdframework remained intact until 350 CText
Rounded Reported
p004 / journal page 4944 · PXRD and TGA · Figure 3b

single-crystal X-ray diffraction

as-synthesised Cd-m-TTFTB red rod-like crystals · Powder

SCXRD at 296 K using Mo K alpha radiation on a Bruker D8 Venture diffractometer.

Temperature
296
Atmosphere
nitrogen flow during low-temperature attachment operation
Context
pristine Cd-m-TTFTB framework
Measurement source
S2 · X-ray Structure · Table 1; Figures S4-S8
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cd-m-TTFTB framework dimensionality1D chain-like coordination polymerText
Qualitative
p003 / journal page 4943 · Crystal Structures of Zn/Cd-m-TTFTB · Figure 2
shortest S...S distance in Cd-m-TTFTB4.11 AngstromText
Rounded Reported
p003 / journal page 4943 · Crystal Structures of Zn/Cd-m-TTFTB · Figure S8
Cd-m-TTFTB space groupP21/cTable
Exact Reported
p002 / journal page 4942 · Table 1 · Table 1

single-crystal X-ray diffraction

m-H4TTFTB ligand control · Powder

Molecular linker single-crystal structure at 192.98 K.

Temperature
192.98
Context
molecular linker control
Measurement source
p002 / journal page 4942 · Table 1 · Scheme 1; Table 1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
m-H4TTFTB shortest pi...pi distance3.273 AngstromText
Exact Reported
p005 / journal page 4945 · Charge Transfer Studies
m-H4TTFTB shortest S...S distance3.903 AngstromText
Exact Reported
p005 / journal page 4945 · Charge Transfer Studies

PXRD and thermogravimetric analysis

as-synthesised Zn-m-TTFTB red rod-like crystals · Powder

PXRD at room temperature; TGA at 10 C/min under N2.

Temperature
room temperature
Atmosphere
N2 for TGA
Context
bulk pristine Zn-m-TTFTB and Cd-m-TTFTB
Measurement source
p004 / journal page 4944 · PXRD and TGA · Figure 3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Zn-m-TTFTB PXRD phase agreementexperimental PXRD peak positions agree with simulated patternText
Qualitative
p004 / journal page 4944 · PXRD and TGA · Figure 3a
Zn-m-TTFTB thermal stability thresholdframework remained intact until 350 CText
Rounded Reported
p004 / journal page 4944 · PXRD and TGA · Figure 3b

single-crystal X-ray diffraction

as-synthesised Zn-m-TTFTB red rod-like crystals · Powder

SCXRD at 100 K; data collected at Shanghai Synchrotron Radiation Facility.

Temperature
100
Context
pristine Zn-m-TTFTB framework
Measurement source
S1-S2 · X-ray Structure · Table 1; Figures S1-S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Zn-m-TTFTB framework dimensionality2D coordination polymer; threefold interpenetrated nonporous 2D structure with hydrogen-bonded 3D assemblyText
Qualitative
p003 / journal page 4943 · Crystal Structures of Zn/Cd-m-TTFTB · Figure 1
shortest S...S distance in Zn-m-TTFTB3.95 AngstromText
Rounded Reported
p003 / journal page 4943 · Crystal Structures of Zn/Cd-m-TTFTB · Figure S3
Zn-m-TTFTB space groupP21/cTable
Exact Reported
p002 / journal page 4942 · Table 1 · Table 1