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Sadabs

Manufactured by Bruker
Sourced in United States

SADABS is a software program developed by Bruker for the empirical determination of absorption corrections in single-crystal X-ray diffraction experiments. It provides a robust and reliable method to account for the effects of sample absorption, improving the accuracy of the collected data.

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912 protocols using sadabs

1

Single Crystal X-Ray Diffraction Analysis

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Suitable crystals for X-ray diffraction were mounted on a loop with protective oil, and X-ray data was collected on a Bruker APEX II CCD detector diffractometer using graphite monochromated MoKα radiation (λ = 0.71073 Å) and operated in a φ and ω scans mode. A semi empirical absorption correction was carried out using SADABS (Sheldrick, G. M. SADABS, Bruker AXS Inc., Madison, Wisconsin, USA, 2004). Data collection, cell refinement and data reduction were done with the SMART and SAINT programs (SMART and SAINT, Bruker AXS Inc., Madison, Wisconsin, USA, 2004).
The structures were solved by direct methods using SIR97 [35] (link) and refined by fullmatrix least-squares methods using the program SHELXL97 [36] using the winGX software package [37] (link). Non-hydrogen atoms were refined with anisotropic thermal parameters, except in cases of disorder where these specific atoms were refined as isotropic, whereas H-atoms were placed in idealized positions and allowed to refine riding on the parent C atom. Molecular graphics were prepared using ORTEP [38] (link).
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2

Bruker X8 APEX Diffractometer Protocol

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Bruker X8 APEX diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2009 ▸ ) Tmin = 0.589, Tmax = 0.746

9214 measured reflections

3582 independent reflections

2406 reflections with I > 2σ(I)

Rint = 0.040

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3

Single Crystal X-Ray Diffraction Analysis

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Bruker SMART CCD 1K area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2012 ▸ ) Tmin = 0.701, Tmax = 0.746

27028 measured reflections

3964 independent reflections

3582 reflections with I > 2σ(I)

Rint = 0.021

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4

Single Crystal X-ray Diffraction

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Bruker Kappa APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2004 ▸ ) Tmin = 0.948, Tmax = 0.955

14793 measured reflections

1809 independent reflections

1528 reflections with I > 2σ(I)

Rint = 0.023

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5

Single Crystal X-ray Diffraction Analysis

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Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2008 ▸ ) Tmin = 0.92, Tmax = 0.95

46817 measured reflections

5318 independent reflections

4636 reflections with I > 2σ(I)

Rint = 0.035

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6

Crystal Structure Determination by X-ray Diffraction

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Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▸ ) Tmin = 0.715, Tmax = 0.890

8297 measured reflections

3028 independent reflections

2686 reflections with I > 2σ(I)

Rint = 0.030

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7

Crystal Structure Determination Protocol

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Bruker Kappa APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2004 ▸ ) Tmin = 0.981, Tmax = 0.985

10595 measured reflections

3454 independent reflections

1668 reflections with I > 2σ(I)

Rint = 0.039

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8

Single Crystal X-ray Diffraction

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Bruker Kappa APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2008 ▸ ) Tmin = 0.941, Tmax = 0.960

7690 measured reflections

3638 independent reflections

2447 reflections with I > 2σ(I)

Rint = 0.038

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9

Single Crystal X-Ray Diffraction Protocol

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Bruker X8 APEX diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2009 ▸ ) Tmin = 0.670, Tmax = 0.746

25334 measured reflections

4082 independent reflections

3071 reflections with I > 2σ(I)

Rint = 0.031

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10

CMOS Diffractometer for Crystal Characterization

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Bruker D8 VENTURE PHOTON 100 CMOS diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2014 ▸ ) Tmin = 0.90, Tmax = 0.95

11331 measured reflections

3063 independent reflections

2538 reflections with I > 2σ(I)

Rint = 0.031

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