cMOF Evidence Base
Diffraction Structure — Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds

Measurement evidence

Diffraction Structure

Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds · Delgado-Martinez P., Gonzalez-Prieto R., Gomez-Garcia C.J. et al. · Dalton Transactions · 2014 · 3227-3237

6 measurement groups · 54 results

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

Single-crystal X-ray diffraction, Bruker Smart CCD, Mo-Kalpha radiation

X-ray diffraction and scattering

Compound 1 single crystals and microcrystalline powder · Single Crystal

Room-temperature data collection; structures solved by direct methods and refined on F2 with SHELXL-97; crystal/refinement data in SI and CIF.

Temperature
293-296
Context
pristine framework
Measurement source
p008 · X-Ray data collection and structure refinement
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
CCDC deposition numberCCDC 952770——Text
Exact Reported		CIF data block
unit-cell volume1539.1(4) Angstrom^3——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
crystal systemTetragonal——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
calculated crystal density1.767 g cm^-3——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
R1 observed reflections0.0323(829)——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
Ru-Ru bond length(s)2.298(1) Angstrom——Table
Exact Reported		p002-p003 · Crystal structures · Table 1
Ru-X bond length(s)2.6655(7) Angstrom——Table
Exact Reported		p003 · Crystal structures · Table 1
Ru-X-Ru angle180.0 deg——Table
Exact Reported		p003 · Crystal structures · Table 1
space groupI-4/m——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2

Single-crystal X-ray diffraction, Bruker Smart CCD, Mo-Kalpha radiation

X-ray diffraction and scattering

Compound 2 crystalline solid / powder · Single Crystal

Room-temperature data collection; structures solved by direct methods and refined on F2 with SHELXL-97; crystal/refinement data in SI and CIF.

Temperature
293-296
Context
pristine framework
Measurement source
p008 · X-Ray data collection and structure refinement
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
CCDC deposition numberCCDC 952771——Text
Exact Reported		CIF data block
unit-cell volume3235.8(11) Angstrom^3——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
crystal systemMonoclinic——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
calculated crystal density1.680 g cm^-3——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
R1 observed reflections0.0966(2965)——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
Ru-Ru bond length(s)2.297(3), 2.290(2) Angstrom——Table
Exact Reported		p002-p003 · Crystal structures · Table 1
Ru-X bond length(s)2.700(2), 2.728(2) Angstrom——Table
Exact Reported		p003 · Crystal structures · Table 1
Ru-X-Ru angle114.77(8) deg——Table
Exact Reported		p003 · Crystal structures · Table 1
space groupP2(1)/c——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2

Single-crystal X-ray diffraction, Bruker Smart CCD, Mo-Kalpha radiation

X-ray diffraction and scattering

Compound 3 crystalline solid / powder · Single Crystal

Room-temperature data collection; structures solved by direct methods and refined on F2 with SHELXL-97; crystal/refinement data in SI and CIF.

Temperature
room temperature
Context
pristine framework
Measurement source
p008 · X-Ray data collection and structure refinement
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
CCDC deposition numberCCDC 952772——Text
Exact Reported		CIF data block
unit-cell volume3355.4(12) Angstrom^3——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
crystal systemMonoclinic——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
calculated crystal density1.621 g cm^-3——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
R1 observed reflections0.0441(2297)——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2
Ru-Ru bond length(s)2.3000(10) Angstrom——Table
Exact Reported		p002-p003 · Crystal structures · Table 1
Ru-X bond length(s)2.6829(8), 2.6830(8) Angstrom——Table
Exact Reported		p003 · Crystal structures · Table 1
Ru-X-Ru angle115.39(4) deg——Table
Exact Reported		p003 · Crystal structures · Table 1
space groupC2/c——SI Table
Exact Reported		p008 · Electronic Supplementary Information · Table S2

Single-crystal X-ray diffraction, Bruker Smart CCD, Mo-Kalpha radiation

X-ray diffraction and scattering

Compound 4 single crystals and microcrystalline powder · Single Crystal

Room-temperature data collection; structures solved by direct methods and refined on F2 with SHELXL-97; crystal/refinement data in SI and CIF.

Temperature
room temperature
Context
pristine framework
Measurement source
p008 · X-Ray data collection and structure refinement
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
CCDC deposition numberCCDC 952773——Text
Exact Reported		CIF data block
unit-cell volume3286.7(3) Angstrom^3——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
crystal systemTriclinic——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
calculated crystal density1.749 g cm^-3——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
R1 observed reflections0.0423(6817)——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
Ru-Ru bond length(s)2.3001(11), 2.3106(12), 2.3097(12), 2.3079(10) Angstrom——Table
Exact Reported		p002-p003 · Crystal structures · Table 1
Ru-X bond length(s)2.8908(8), 2.8517(8), 2.8950(8), 2.9447(7) Angstrom——Table
Exact Reported		p003 · Crystal structures · Table 1
Ru-X-Ru angle110.67(2), 110.16(2) deg——Table
Exact Reported		p004 · Crystal structures · Table 1
space groupP-1——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3

Single-crystal X-ray diffraction, Bruker Smart CCD, Mo-Kalpha radiation

X-ray diffraction and scattering

Compound 5 crystalline solid / powder · Single Crystal

Room-temperature data collection; structures solved by direct methods and refined on F2 with SHELXL-97; crystal/refinement data in SI and CIF.

Temperature
room temperature
Context
pristine framework
Measurement source
p008 · X-Ray data collection and structure refinement
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
CCDC deposition numberCCDC 952774——Text
Exact Reported		CIF data block
unit-cell volume3343.5(11) Angstrom^3——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
crystal systemMonoclinic——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
calculated crystal density1.720 g cm^-3——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
R1 observed reflections0.0805(2903)——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
Ru-Ru bond length(s)2.301(2), 2.302(3) Angstrom——Table
Exact Reported		p002-p003 · Crystal structures · Table 1
Ru-X bond length(s)2.9085(17), 2.8741(18) Angstrom——Table
Exact Reported		p003 · Crystal structures · Table 1
Ru-X-Ru angle110.67(5) deg——Table
Exact Reported		p003 · Crystal structures · Table 1
space groupP2(1)/c——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3

Single-crystal X-ray diffraction, Bruker Smart CCD, Mo-Kalpha radiation

X-ray diffraction and scattering

Compound 6 crystalline solid / powder · Single Crystal

Room-temperature data collection; structures solved by direct methods and refined on F2 with SHELXL-97; crystal/refinement data in SI and CIF.

Temperature
room temperature
Context
pristine framework
Measurement source
p008 · X-Ray data collection and structure refinement
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
CCDC deposition numberCCDC 952775——Text
Exact Reported		CIF data block
unit-cell volume3589(2) Angstrom^3——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
crystal systemMonoclinic——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
calculated crystal density1.602 g cm^-3——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
R1 observed reflections0.0815(1540)——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3
Ru-Ru bond length(s)2.290(3) Angstrom——Table
Exact Reported		p002-p003 · Crystal structures · Table 1
Ru-X bond length(s)2.9636(19) Angstrom——Table
Exact Reported		p003 · Crystal structures · Table 1
Ru-X-Ru angle110.35(8) deg——Table
Exact Reported		p003 · Crystal structures · Table 1
space groupI2/a——SI Table
Exact Reported		p009 · Electronic Supplementary Information · Table S3