Crystal and refinement data for the ligands
Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands
... Cp ligands and cyclopropyl substituents, ...The crystal structure of compound 2 comprises a large void of ca 220 A ˚ 3 that is probably filled with a highly disordered toluene mol- ...the crystal can ...
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Synthesis and Crystal Structure of Salen Ligands Derived from Unsymmetrical Vicinal Diamine
... Salen ligands 1 and 2 were synthesized by the condensation of salicylaldehyde with corresponding 1,2-diamines in ethanolic ...triclinic crystal system with space group P-1, exhibiting ...
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Synthesis and crystal structure of a new coordination polymer based on lanthanum and 1,4 phenylenediacetate ligands
... Isomers of phenylenediacetic acid are flexible ligands and can therefore adopt different conformations in the crystal structure. 1,4-Phenylendiacetic acid is used as a readily available ligand that can ...
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Crystal and Electronic Structure of a Hexacarbonyldiiron Cluster Tethered To Naphthalene-2-Thiolate Ligands
... 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 31 ALERT level G = General information/check it is not something unexpected ...
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Preparation and Crystal Structure Determination of Zinc (II) Bromide Complexes at the Presence of Various Ligands
... radiation. Crystal structure were solved by charge flipping with program superflip [20] and refined with the Jana 2006 program package [21], by full-matrix least- squares technique on F 2 ...
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Crystal structure of homodinuclear platinum complex containing a metal–metal bond bridged by hydride and phosphide ligands
... phosphide ligands Sakina Ouis, a Djamil Azzedine Rouag, a Lamia Bendjeddou a * and Corinne Bailly b a Unite´ de Recherche Chimie de l’Environnement et Mole´culaire, Structurale ’CHEMS’, Faculte´ des Sciences ...
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Crystal structures of two new six coordinate iron(III) complexes with 1,2 bis(diphenylphosphane) ligands
... Our group is interested in the application of bisphosphanes as supporting ligands within iron-catalyzed cross-coupling reactions. Numerous literature protocols for iron-catalyzed cross-coupling methods involve use ...
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Data-Driven Insights into Ligands, Proteins, and Genetic Mutations.
... In Chapter 3, the differentiable physicochemical properties are found for allosteric compounds. The next logical step would be to analyze the allosteric binding sites to reveal characteristics of allosteric proteins and ...
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Sr3Al10SiO20 from single crystal data
... Single crystals of tristrontium decaaluminum silicon icosa- oxide were synthesized by local flux growth with H 3 BO 3 as mineralizer. Lattice parameters and refinement data indicate no significant ...
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Single Crystal Automated Refinement (SCAR): A Data-Driven Method for Solving Inorganic Structures
... employs data mining and machine learning. Machine learning and data mining have been successfully applied to materials problems across various ...classify crystal structures of inorganic ...reliable ...
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Rietveld refinement of the crystal structures of Rb2XSi5O12 (X = Ni, Mn)
... diffraction data collected using Cu K X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs 2 CdSi 5 O 12 and other ...
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Rietveld refinement of the crystal structures of Rb2X Si5O12 (X = Ni, Mn)
... diffraction data collected using Cu K X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs 2 CdSi 5 O 12 and other ...
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New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K
... 4. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. Unlike the two previous refine- ments in space group Imam, the unit cell was ...
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Reinvestigation of the crystal structure of Ca2Ce8(SiO4)6O2 apatite by Rietveld refinement
... (Byrappa &Yoshimura, 2001). Generally, apatites crystallize in the hexagonal crystal system in space group P6 3 /m. There are two types of A cations in these structures: Type I (Wyckoff position 4f) A cations are ...
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Extraction of Abstraction Invariants for Data Refinement
... 3.3 Refinement between conjoined machine is not proved In this case, we have to prove refinement of the generated B machine (see our first example in sections 2.3 and 4), with some abstraction invariants. However, when the ...
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Similarity-aware query refinement for data exploration
... many data exploration problems where finding an optimal solution involves inspecting and examining a huge search space, possibly exponential, in a brute-force ...
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Visualization Tools for Adaptive Mesh Refinement Data
... 3D data, requires no specialized graph- ics hardware, and can run in parallel on both SMP and distributed memory parallel ...arbitrary data ranges, and set viewing ...from data files and for pre- ...
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Visualization of Scalar Adaptive Mesh Refinement Data
... AMR data is made possible by marking coarse cells that are refined at a lower level as ...the data set and removes all cells or geometry resulting from a ghost ...
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Specification Reuse using Data Refinement in Dafny
... provides refinement proofs to be validated while refining machines which preserve the correctness of the system throughout refinement ...of refinement in Event-B is slightly different as compared to ...
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Social Image Parsing by Cross-Modal Data Refinement
... cross-modal data refinement algorithm for social image parsing, or segment- ing all the objects within a social image and then identifying their ...cross-modal data refinement problem over a ...
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