Diffraction Structure — 4′-((4-cyanobenzyl)oxy)-[1,1′-biphenyl] -4-carboxylic acid based Cd(II), Co(II), Mn(II) and Ni(II) coordination polymers as photocatalyst for nitrofurazone degradation

Measurement evidence

Diffraction Structure

4′-((4-cyanobenzyl)oxy)-[1,1′-biphenyl] -4-carboxylic acid based Cd(II), Co(II), Mn(II) and Ni(II) coordination polymers as photocatalyst for nitrofurazone degradation · Wang X., Kumar Ghosh M., Zhuang P. et al. · Inorganica Chimica Acta · 2024 · 121892

8 measurement groups · 40 results

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

PXRD before and after NFZ photocatalysis

CP 1 yellow block crystals · Single Crystal

CP 1 PXRD compared before synthesis/use and after photocatalysis; SI Figure S2 shows simulated, synthesized, and after-photodegradation traces.

Geometry
powder
Context
pristine framework after photocatalysis
Measurement source
7 · 3.4 Photocatalytic activity · Figure S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD peak-position stability after photocatalysisunaltered peak positions after photocatalysis——Text
Qualitative
7 · 3.4 Photocatalytic activity · Figure S2

PXRD before and after NFZ photocatalysis

CP 2 purple block crystals · Single Crystal

CP 2 PXRD compared before synthesis/use and after photocatalysis; SI Figure S2 shows simulated, synthesized, and after-photodegradation traces.

Geometry
powder
Context
pristine framework after photocatalysis
Measurement source
7 · 3.4 Photocatalytic activity · Figure S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD peak-position stability after photocatalysisunaltered peak positions after photocatalysis——Text
Qualitative
7 · 3.4 Photocatalytic activity · Figure S2

PXRD before and after NFZ photocatalysis

CP 3 pink block crystals · Single Crystal

CP 3 PXRD compared before synthesis/use and after photocatalysis; SI Figure S2 shows simulated, synthesized, and after-photodegradation traces.

Geometry
powder
Context
pristine framework after photocatalysis
Measurement source
7 · 3.4 Photocatalytic activity · Figure S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD peak-position stability after photocatalysisunaltered peak positions after photocatalysis——Text
Qualitative
7 · 3.4 Photocatalytic activity · Figure S2

Photocatalyst recycling followed by PXRD before/after fourth cycle

CP 4 green block crystals · Single Crystal

CP 4 recovered after each photocatalytic cycle, washed repeatedly with double-distilled water, dried, reused for four total cycles; PXRD after fourth cycle.

Geometry
powder
Context
recovered pristine framework photocatalyst
Measurement source
7 · 3.4 Photocatalytic activity · Figure 8
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
recycling stabilityretained photocatalytic activity over four cycles; no perceptible PXRD peak shift after fourth cycle——Text
Qualitative
7 · 3.4 Photocatalytic activity · Figure 8

Single-crystal X-ray diffraction, Bruker SMART APEX, Mo-Kalpha radiation, SHELXS/SHELXL refinement

CP 1 yellow block crystals · Single Crystal

293 K; triclinic P-1 structure; CCDC 2289219.

Temperature
293
Geometry
single crystal
Context
pristine framework
Measurement source
CIF cell/refinement block · Table S1 equivalent
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
bond valence sum2.05——Table
Exact Reported
2 · Table 1 · Table 1
cell length a5.5344(8)—(8)Text
Exact Reported
CIF
cell length b17.109(2)—(2)Text
Exact Reported
CIF
cell length c26.201(3)—(3)Text
Exact Reported
CIF
unit-cell volume2461.6(5)—(5)Text
Exact Reported
CIF
Cd-O/N coordination bond distance range2.291-2.344 A—individual distances carry parenthetical esd values in SI tableSI Table
Range
3 · Supplementary crystallographic tables · Table S2
crystallographic formulaC60 H46 Cd N6 O8——Text
Exact Reported
CIF
R1 for observed reflections0.0601——Text
Exact Reported
CIF
space groupP -1——Text
Exact Reported
CIF

Single-crystal X-ray diffraction, Bruker SMART APEX, Mo-Kalpha radiation, SHELXS/SHELXL refinement

CP 2 purple block crystals · Single Crystal

293 K; triclinic P-1 structure; CCDC 2289220.

Temperature
293
Geometry
single crystal
Context
pristine framework
Measurement source
CIF cell/refinement block · Table S1 equivalent
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
bond valence sum2.08——Table
Exact Reported
2 · Table 1 · Table 1
cell length a5.4750(13)—(13)Text
Exact Reported
CIF
cell length b15.163(4)—(4)Text
Exact Reported
CIF
cell length c16.678(4)—(4)Text
Exact Reported
CIF
unit-cell volume1228.3(5)—(5)Text
Exact Reported
CIF
Co-O/N coordination bond distance range2.118-2.154 A—individual distances carry parenthetical esd values in SI tableSI Table
Range
3-4 · Supplementary crystallographic tables · Table S3
crystallographic formulaC60 H46 Co N6 O8——Text
Exact Reported
CIF
R1 for observed reflections0.0792——Text
Exact Reported
CIF
space groupP -1——Text
Exact Reported
CIF

Single-crystal X-ray diffraction, Bruker SMART APEX, Mo-Kalpha radiation, SHELXS/SHELXL refinement

CP 3 pink block crystals · Single Crystal

293 K; triclinic P-1 structure; CCDC 2289221.

Temperature
293
Geometry
single crystal
Context
pristine framework
Measurement source
CIF cell/refinement block · Table S1 equivalent
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
bond valence sum2.03——Table
Exact Reported
2 · Table 1 · Table 1
cell length a5.4601(6)—(6)Text
Exact Reported
CIF
cell length b16.9710(19)—(19)Text
Exact Reported
CIF
cell length c26.591(3)—(3)Text
Exact Reported
CIF
unit-cell volume2443.0(5)—(5)Text
Exact Reported
CIF
Mn-O/N coordination bond distance range2.1751-2.273 A—individual distances carry parenthetical esd values in SI tableSI Table
Range
4 · Supplementary crystallographic tables · Table S4
crystallographic formulaC60 H46 Mn N6 O8——Text
Exact Reported
CIF
R1 for observed reflectionsMarked as a best value within this paper0.0548——Text
Exact Reported
CIF
space groupP -1——Text
Exact Reported
CIF

Single-crystal X-ray diffraction, Bruker SMART APEX, Mo-Kalpha radiation, SHELXS/SHELXL refinement

CP 4 green block crystals · Single Crystal

293 K; triclinic P-1 structure; CCDC 2289222.

Temperature
293
Geometry
single crystal
Context
pristine framework
Measurement source
CIF cell/refinement block · Table S1 equivalent
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
bond valence sum1.98——Table
Exact Reported
2 · Table 1 · Table 1
cell length a5.4445(9)—(9)Text
Exact Reported
CIF
cell length b16.802(3)—(3)Text
Exact Reported
CIF
cell length c26.928(4)—(4)Text
Exact Reported
CIF
unit-cell volume2439.2(7)—(7)Text
Exact Reported
CIF
Ni-O/N coordination bond distance range2.083-2.111 A—individual distances carry parenthetical esd values in SI tableSI Table
Range
4 · Supplementary crystallographic tables · Table S5
crystallographic formulaC60 H46 N6 Ni O8——Text
Exact Reported
CIF
R1 for observed reflections0.0700——Text
Exact Reported
CIF
space groupP -1——Text
Exact Reported
CIF