cMOF Evidence Base
Diffraction Structure — Bromine Vapor Induced Continuous p- to n-Type Conversion of a Semiconductive Metal-Organic Framework Cu[Cu(pdt)2]

Measurement evidence

Diffraction Structure

Bromine Vapor Induced Continuous p- to n-Type Conversion of a Semiconductive Metal-Organic Framework Cu[Cu(pdt)2] · Gupta S., Tanaka H., Sato T. et al. · Inorganic Chemistry · 2022 · 4414-4420

1 measurement group · 42 results

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

PXRD with Le Bail refinement using Rietica

X-ray diffraction and scattering

Brx@Cu[Cu(pdt)2] bromine-doped series · Powder

Rigaku Smart Lab, Cu Kalpha radiation, lambda = 1.5456 A, 2theta 5-50 deg, 1 deg/min.

Geometry
plate stage powder diffraction
Context
pristine and Br-doped series
Measurement source
2-3 · Experimental Section; Results · Figure 2; Figure S1; Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Br0.08@Cu[Cu(pdt)2] a-axis lattice parameter6.8487(2) A—(2)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.08@Cu[Cu(pdt)2] c-axis lattice parameter16.551(8) A—(8)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.08@Cu[Cu(pdt)2] Le Bail chi20.137——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.08@Cu[Cu(pdt)2] Le Bail Rp2.934%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.08@Cu[Cu(pdt)2] space groupP42/mmc——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.08@Cu[Cu(pdt)2] Le Bail wRp4.109%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.22@Cu[Cu(pdt)2] a-axis lattice parameter6.8556(3) A—(3)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.22@Cu[Cu(pdt)2] c-axis lattice parameter16.579(12) A—(12)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.22@Cu[Cu(pdt)2] Le Bail chi20.089——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.22@Cu[Cu(pdt)2] Le Bail Rp3.513%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.22@Cu[Cu(pdt)2] space groupP42/mmc——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.22@Cu[Cu(pdt)2] Le Bail wRp4.608%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.38@Cu[Cu(pdt)2] a-axis lattice parameter6.8184(3) A—(3)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.38@Cu[Cu(pdt)2] c-axis lattice parameter16.465(13) A—(13)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.38@Cu[Cu(pdt)2] Le Bail chi20.076——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.38@Cu[Cu(pdt)2] Le Bail Rp3.223%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.38@Cu[Cu(pdt)2] space groupP42/mmc——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.38@Cu[Cu(pdt)2] Le Bail wRp4.385%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.44@Cu[Cu(pdt)2] a-axis lattice parameter6.8371(7) A—(7)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.44@Cu[Cu(pdt)2] c-axis lattice parameter16.531(18) A—(18)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.44@Cu[Cu(pdt)2] Le Bail chi23.102——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.44@Cu[Cu(pdt)2] Le Bail Rp4.365%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.44@Cu[Cu(pdt)2] space groupP42/mmc——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.44@Cu[Cu(pdt)2] Le Bail wRp5.99%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.62@Cu[Cu(pdt)2] a-axis lattice parameter6.8361(5) A—(5)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.62@Cu[Cu(pdt)2] c-axis lattice parameter16.433(13) A—(13)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.62@Cu[Cu(pdt)2] Le Bail chi213.188——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.62@Cu[Cu(pdt)2] Le Bail Rp2.791%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.62@Cu[Cu(pdt)2] space groupP42/mmc——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.62@Cu[Cu(pdt)2] Le Bail wRp4.003%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.94@Cu[Cu(pdt)2] a-axis lattice parameter6.8322(2) A—(2)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.94@Cu[Cu(pdt)2] c-axis lattice parameter16.323(7) A—(7)SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.94@Cu[Cu(pdt)2] Le Bail chi26.74——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.94@Cu[Cu(pdt)2] Le Bail Rp2.186%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.94@Cu[Cu(pdt)2] space groupP42/mmc——SI Table
Exact Reported		S3 · Table S1 · Table S1
Br0.94@Cu[Cu(pdt)2] Le Bail wRp2.904%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Cu[Cu(pdt)2] a-axis lattice parameter6.8372(1) A—(1)SI Table
Exact Reported		S3 · Table S1 · Table S1
Cu[Cu(pdt)2] c-axis lattice parameter16.61(2) A—(2)SI Table
Exact Reported		S3 · Table S1 · Table S1
Cu[Cu(pdt)2] Le Bail chi210.74——SI Table
Exact Reported		S3 · Table S1 · Table S1
Cu[Cu(pdt)2] Le Bail Rp2.252%——SI Table
Exact Reported		S3 · Table S1 · Table S1
Cu[Cu(pdt)2] space groupP42/mmc——SI Table
Exact Reported		S3 · Table S1 · Table S1
Cu[Cu(pdt)2] Le Bail wRp3.402%——SI Table
Exact Reported		S3 · Table S1 · Table S1