FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4285993153> ?p ?o ?g. }

• W4285993153 endingPage "609" @default.
• W4285993153 startingPage "604" @default.
• W4285993153 abstract "Correcting for anomalous dispersion is part of any refinement of an X-ray dif-fraction crystal structure determination. The procedure takes the inelastic scattering in the diffraction experiment into account. This X-ray absorption effect is specific to each chemical compound and is particularly sensitive to radiation energies in the region of the absorption edges of the elements in the compound. Therefore, the widely used tabulated values for these corrections can only be approximations as they are based on calculations for isolated atoms. Features of the unique spatial and electronic environment that are directly related to the anomalous dispersion are ignored, although these can be observed spectroscopically. This significantly affects the fit between the crystallographic model and the measured intensities when the excitation wavelength in an X-ray diffraction experiment is close to an element's absorption edge. Herein, we report on synchrotron multi-wavelength single-crystal X-ray diffraction, as well as X-ray absorption spectroscopy experiments which we performed on the mol-ecular compound Mo(CO)6 at energies around the molybdenum K edge. The dispersive (f') and absorptive (f'') terms of the anomalous dispersion can be refined as independent parameters in the full-matrix least-squares refinement. This procedure has been implemented as a new feature in the well-established OLEX2 software suite. These refined parameters are in good agreement with the independently recorded X-ray absorption spectrum. The resulting crystallographic models show significant improvement compared to those employing tabulated values." @default.
• W4285993153 created "2022-07-21" @default.
• W4285993153 creator A5009567659 @default.
• W4285993153 creator A5010662585 @default.
• W4285993153 creator A5030947801 @default.
• W4285993153 creator A5054303067 @default.
• W4285993153 creator A5067986221 @default.
• W4285993153 creator A5080530103 @default.
• W4285993153 creator A5091796489 @default.
• W4285993153 date "2022-07-20" @default.
• W4285993153 modified "2023-10-01" @default.
• W4285993153 title "Refinement of anomalous dispersion correction parameters in single-crystal structure determinations" @default.
• W4285993153 cites W1973097630 @default.
• W4285993153 cites W2004435637 @default.
• W4285993153 cites W2005873002 @default.
• W4285993153 cites W2018222553 @default.
• W4285993153 cites W2025754636 @default.
• W4285993153 cites W2028507850 @default.
• W4285993153 cites W2040711210 @default.
• W4285993153 cites W2052350030 @default.
• W4285993153 cites W2053393022 @default.
• W4285993153 cites W2059205366 @default.
• W4285993153 cites W2068478232 @default.
• W4285993153 cites W2068625088 @default.
• W4285993153 cites W2071955309 @default.
• W4285993153 cites W2073614125 @default.
• W4285993153 cites W2085198303 @default.
• W4285993153 cites W2087599743 @default.
• W4285993153 cites W2092548222 @default.
• W4285993153 cites W2106252852 @default.
• W4285993153 cites W2132454074 @default.
• W4285993153 cites W2142787097 @default.
• W4285993153 cites W2143410047 @default.
• W4285993153 cites W2144332006 @default.
• W4285993153 cites W2149934264 @default.
• W4285993153 cites W2166000509 @default.
• W4285993153 cites W2301903195 @default.
• W4285993153 cites W2320262228 @default.
• W4285993153 cites W2321255177 @default.
• W4285993153 cites W2758438359 @default.
• W4285993153 cites W2993603795 @default.
• W4285993153 cites W3034310241 @default.
• W4285993153 cites W3106685507 @default.
• W4285993153 cites W3113106398 @default.
• W4285993153 doi "https://doi.org/10.1107/s2052252522006844" @default.
• W4285993153 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36071807" @default.
• W4285993153 hasPublicationYear "2022" @default.
• W4285993153 type Work @default.
• W4285993153 citedByCount "3" @default.
• W4285993153 countsByYear W42859931532023 @default.
• W4285993153 crossrefType "journal-article" @default.
• W4285993153 hasAuthorship W4285993153A5009567659 @default.
• W4285993153 hasAuthorship W4285993153A5010662585 @default.
• W4285993153 hasAuthorship W4285993153A5030947801 @default.
• W4285993153 hasAuthorship W4285993153A5054303067 @default.
• W4285993153 hasAuthorship W4285993153A5067986221 @default.
• W4285993153 hasAuthorship W4285993153A5080530103 @default.
• W4285993153 hasAuthorship W4285993153A5091796489 @default.
• W4285993153 hasBestOaLocation W42859931531 @default.
• W4285993153 hasConcept C115624301 @default.
• W4285993153 hasConcept C119824511 @default.
• W4285993153 hasConcept C120665830 @default.
• W4285993153 hasConcept C121332964 @default.
• W4285993153 hasConcept C125287762 @default.
• W4285993153 hasConcept C16332341 @default.
• W4285993153 hasConcept C177562468 @default.
• W4285993153 hasConcept C181966813 @default.
• W4285993153 hasConcept C185592680 @default.
• W4285993153 hasConcept C192562407 @default.
• W4285993153 hasConcept C199360897 @default.
• W4285993153 hasConcept C207114421 @default.
• W4285993153 hasConcept C21368211 @default.
• W4285993153 hasConcept C2777769593 @default.
• W4285993153 hasConcept C2781285689 @default.
• W4285993153 hasConcept C41008148 @default.
• W4285993153 hasConcept C41999313 @default.
• W4285993153 hasConcept C49040817 @default.
• W4285993153 hasConcept C50792271 @default.
• W4285993153 hasConcept C73922627 @default.
• W4285993153 hasConcept C8010536 @default.
• W4285993153 hasConceptScore W4285993153C115624301 @default.
• W4285993153 hasConceptScore W4285993153C119824511 @default.
• W4285993153 hasConceptScore W4285993153C120665830 @default.
• W4285993153 hasConceptScore W4285993153C121332964 @default.
• W4285993153 hasConceptScore W4285993153C125287762 @default.
• W4285993153 hasConceptScore W4285993153C16332341 @default.
• W4285993153 hasConceptScore W4285993153C177562468 @default.
• W4285993153 hasConceptScore W4285993153C181966813 @default.
• W4285993153 hasConceptScore W4285993153C185592680 @default.
• W4285993153 hasConceptScore W4285993153C192562407 @default.
• W4285993153 hasConceptScore W4285993153C199360897 @default.
• W4285993153 hasConceptScore W4285993153C207114421 @default.
• W4285993153 hasConceptScore W4285993153C21368211 @default.
• W4285993153 hasConceptScore W4285993153C2777769593 @default.
• W4285993153 hasConceptScore W4285993153C2781285689 @default.
• W4285993153 hasConceptScore W4285993153C41008148 @default.
• W4285993153 hasConceptScore W4285993153C41999313 @default.
• W4285993153 hasConceptScore W4285993153C49040817 @default.

• next