cMOF Evidence Base
Diffraction Structure — Metal organic framework doped Spiro-OMeTAD with increased conductivity for improving perovskite solar cell performance

Measurement evidence

Diffraction Structure

Metal organic framework doped Spiro-OMeTAD with increased conductivity for improving perovskite solar cell performance · Li M., Wang J., Jiang A. et al. · Solar Energy · 2019 · 380-385

4 measurement groups · 21 results

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

Crystal data and structure refinement table

Synthesised In10 MOF powder · Powder

Rendered SI Table S1 reports empirical formula, formula weight, crystal system, space group, lattice parameters, volume, Z, F(000), data-collection range, limiting indices, residual density and CCDC number.

Geometry
crystallographic refinement table
Context
Pristine In10 MOF crystal data.
Measurement source
S-5 · Supporting Information · Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
In10 lattice parameter aa = 12.4952(12) Angstrom12.4952 Angstrom—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 alpha angle90 degrees90 degree—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 lattice parameter bb = 12.4952(12) Angstrom12.4952 Angstrom—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 beta angle90 degrees90 degree—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 lattice parameter cc = 14.7672(14) Angstrom14.7672 Angstrom—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 CCDC deposition number14165881416588—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
Largest difference peak and hole0.872 and -0.970 e Angstrom-3——SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 empirical formula from crystal dataC20H14Cl3In2K2N2O5——SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 F(000)13041304—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 formula weight661.7 g.mol-1661.7 g/mol—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 gamma angle90 degrees90 degree—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
Limiting indices-10 <= h <= 11, 0 <= k <= 15, 0 <= l <= 18——SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 space groupP43212——SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 crystal systemtetragonal——SI Table
Exact Reported		S-5 · Supporting Information · Table S1
Theta range for data collection3.05 degrees < theta < 25.36 degrees——SI Table
Range		S-5 · Supporting Information · Table S1
In10 unit-cell volume2305.6(3) Angstrom32305.6 Angstrom3—SI Table
Exact Reported		S-5 · Supporting Information · Table S1
In10 Z value44—SI Table
Exact Reported		S-5 · Supporting Information · Table S1

Three-dimensional structure figure from rendered SI Figure S2

Synthesised In10 MOF powder · Powder

Rendered SI Figure S2 shows the three-dimensional In10 structure reproduced from Du et al. 2016.

Geometry
crystal structure depiction
Context
Pristine In10 MOF structure.
Measurement source
S-3 · Supporting Information · Figure S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
In10 rendered 3D structure depiction3D connected In10 framework structure shown in rendered SI Figure S2——Qualitative
Qualitative		S-3 · Supporting Information · Figure S2

Powder X-ray diffraction from rendered SI Figure S1

X-ray diffraction and scattering

Synthesised In10 MOF powder · Powder

Rendered SI Figure S1 shows the In10 powder XRD pattern over approximately 5-50 degrees 2theta.

Geometry
powder
Context
Pristine In10 MOF powder.
Measurement source
S-3 · Supporting Information · Figure S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
In10 XRD prominent peak positionsmajor peaks visually at about 9, 11, 14, 15, 16.5, 20.5, 25, 28, 30 and 31 degrees 2theta——Visual Estimate
Approximate		S-3 · Supporting Information · Figure S1

Powder X-ray diffraction

X-ray diffraction and scattering

Synthesised In10 MOF powder · Powder

Shimadzu XRD-6000 used to study X-ray diffraction; XRD pattern confirming In10 synthesis is in Fig. S1.

Geometry
powder
Context
Pristine In10 MOF powder.
Measurement source
2 · 3. Results and discussion · Fig. S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
In10 dimensional structure assignmentlarge 3D conjugated network——Text
Qualitative		2 · 3. Results and discussion · Fig. S2
In10 isolated yield71.2%71.2 %—Text
Exact Reported		2 · 2.1. Synthesis of In10