Collection and Structure Refinement. The monocrystal data of the Ru-3 (0.11 × 0.06 × 0.04 mm) were collected using an Agilent Gemini EOS diffractometer with graphite-monochromated with Mo-Kα radiation (λ = 0.71073) at 170 K. An empiric absorption correction was applied. All the non-hydrogen atoms were refined anisotropically and the hydrogen atoms of organic molecule were refined in calculated positions, assigned isotropic thermal parameters, and allowed to ride their parent atoms. All calculations were performed using the SHELX2014 program package (Sheldrick, 2015 (link)). Crystallographic data (excluding structure factors) for the structure of Ru-3 in this paper have been deposited with the Cambridge Crystallographic Data Centre with the reference numbers 2165862.
Gemini eos
Manufactured by Agilent Technologies
The Gemini EOS is a compact and versatile lab equipment product from Agilent Technologies. It is designed for various analytical applications, providing accurate and reliable measurements. The core function of the Gemini EOS is to perform precise analysis and data acquisition tasks within a laboratory environment.
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2 protocols using gemini eos
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Structural Refinement of Ru-3 Crystal
2
Crystallographic Analysis of Breathing Compounds
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The crystallographic
data were collected on an Agilent Technologies Gemini Eos diffractometer
at room temperature using Mo Kα radiation (λ = 0.71073
Å). The program SAINT was applied for integration of the diffraction
profiles, and absorption corrections were used based on the SAD ABS
program. All of the structures were solved by direct methods, and
were refined anisotropically by the full-matrix least-squares technique
using the Olex2 programs. All nonhydrogen atoms were refined anisotropically.
H-atoms on the ligand were placed in idealized positions and refined
isotropically with fixed thermal factors.
Initially, we attempted
to refine the structure as best as possible, but failed, despite the
presence of middle-sized cells and strong diffraction. During data
collection, the change from 9610 to 8024 Å3 in 16.5%
of the cells indicates a breathing effect of the titled compounds.
The crystal data and details of the data collection are presented
inTable S1, whereas selected bond lengths
and bond angles are presented inTables S2 and S3 .
data were collected on an Agilent Technologies Gemini Eos diffractometer
at room temperature using Mo Kα radiation (λ = 0.71073
Å). The program SAINT was applied for integration of the diffraction
profiles, and absorption corrections were used based on the SAD ABS
program. All of the structures were solved by direct methods, and
were refined anisotropically by the full-matrix least-squares technique
using the Olex2 programs. All nonhydrogen atoms were refined anisotropically.
H-atoms on the ligand were placed in idealized positions and refined
isotropically with fixed thermal factors.
Initially, we attempted
to refine the structure as best as possible, but failed, despite the
presence of middle-sized cells and strong diffraction. During data
collection, the change from 9610 to 8024 Å3 in 16.5%
of the cells indicates a breathing effect of the titled compounds.
The crystal data and details of the data collection are presented
in
and bond angles are presented in
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