crystal data
2,4,6 Triisopropylbenzenesulfonamide from single crystal data
... powder data yield longer SÐN and SÐC distances but shorter SÐO distances than the single-crystal ...single- crystal data have yielded benzeneÐC(iPr) distances that are slightly shorter ...
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Reinvestigation of Hg2GeSe4 based on single crystal data
... The cell parameters [a = 5.6786 (2) AÊ and c = 11.2579 (5) AÊ] and interatomic distances [Hg1ÐSe = 2.672 (4) AÊ, Hg2ÐSe = 2.671 (4) AÊ and GeÐSe = 2.384 (4) AÊ] determined from the room temperature powder data are ...
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Sr3Al10SiO20 from single crystal data
... 789.06 (16) A ˚ 3 ; Kubota et al. 2001]. Capron et al. (2002) puplished a powder diffraction study with a refinement in space group I2/m [a = 14.394 (2), b = 11.189 (2), c = 4.904 (1) A ˚ , = 90.793 (1) , V = 789.74 A ˚ ...
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α Lead tellurite from single crystal data
... powder data. The current determination at room temperature from data obtained from single crystals grown by the Czochralski method shows a significant improvement in the precision of the geometric ...
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Reinvestigation of Na3P based on single crystal data
... the crystal structure and lattice parameters were reported with only limited precision, relying on powder-diffraction data obtained by film methods (Brauer & Zintl, ...
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Crystal structure of lead(II) tartrate: a redetermination
... The present study confirms in principle the results of the previous powder X-ray diffraction study and reveals the determination of the absolute structure (Flack parameter 0.003 (7); Flack, 1983) and all non-H atoms ...
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I Structure function analysis of the mechanosensitive channel of large conductance II Design of novel magnetic materials using crystal engineering
... Microsoft Word appendix I doc Appendix I Supplementary Data for the Crystal Structure of N phenylsalicylidene sulfonic acid guanidinium 181 I 1 Tables Table 1 Crystal data and structure refinement for[.] ...
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Tetrakis(trimethylsilyl)methane
... The crystal structure of the title compound, which undergoes a phase transition upon cooling, was originally determined by powder diffraction methods (Merker & Scott, 1964; Dinnebier et ...single ...
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Crystal structure of dicesium hydrogen citrate from laboratory single crystal and powder X ray diffraction data and DFT comparison
... powder data precluded refining displacement coeffi- cients, which were fixed at typical values for alkali metal ...Diffraction data are displayed in Fig. 4. Crystal data, data ...
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Crystal Structure and Theoretical Study of N,N di[(5 chloro 2 oxo 2,3 dihydrobenzo[d]oxazole 3 yl)methyl]ethanamine
... 2. Crystal data and details for the crystal structure determination of the compound are listed in Table 1, and selected bond lengths, bond and torsion angles are given in Table ...
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Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li4ZrF8, from single crystal X ray data
... Crystal data, data collection and structure refinement details are summarized in Table 2. PLATON (Spek, 2009) was used to check for unresolved solvent electron density, additional symmetry, or ...
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X ray crystallographic studies of sulfur/selenium heteroatom compounds
... of crystal structures, the invention of special crystal materials becomes ...researching crystal structures is an important ...a crystal structure, and most of them involve spectroscopic ...
227
Redetermination of the crystal structure of β zinc molybdate from single crystal X ray diffraction data
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ...
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2,2′ Bipyridine(octacarbonyl)dirhenium(Re–Re)
... The crystal was transferred into the nitrogen stream of an Oxford Cryosystems open-¯ow cryostat (Cosier & Glazer, 1986) operating at 150 (2) ...The crystal used was unsuitable for absorption correction ...
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Charge doped nickel oxide, Y1 90Ca0 10BaNiO5
... attracted considerable attention in recent years, arising from quite interesting electronic and physical properties and possible connections to high-temperature superconductivity (Di Tusa et al., 1994; Janod et al., ...
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Redetermination of the crystal structure of NaTcO4 at 100 and 296 K based on single crystal X ray data
... Lattice parameters determined here with the precision of 0.0002-0.0005 A ˚ at 296 K (Table 1) are close to those of a = 5.342 (3) A ˚ , c = 11.874 (6) A ˚ given by Weaver et al. (2017). The lattice parameters at 100 K ...
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Disodium hydrogen citrate sesquihydrate, Na2HC6H5O7(H2O)1 5
... the crystal structures of Group 1 (alkali metal) citrate salts to understand the anion’s conformational flexibility, ionization, coordination tendencies, and hydrogen bonding, we have determined several new ...
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Determining the Crystal Structure of Cellulose III by Modeling
... The 54 minicrystals were energy minimized with MM3(96), using a dielectric constant of 3.5 and the hydrogen bonding potential from MM3(92). We have found that those modifications result in better model crystal ...
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The dissolution of alpha lactose monohydrate : a mathematical model for predicting dissolution times : a thesis presented in partial fulfilment of the requirements for the degree of Masters in Biotechnology and Bioprocess Engineering at Massey University
... Comparison of multiple crystal size and average crystal size models to experimental data for dissolution of alpha lactose below the alpha lactose solubility limit with equal mass fractio[r] ...
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Crystal structure of 9,20 dimethyl 1,8,12,19 tetraazatetracyclo[17 3 1 02,7 013,18]tricosane dihydrate from synchrotron X ray data
... the crystal, the macropolycycle and the two water molecules are held together by N—H O, and O—H O hydrogen bonds (Table 1); O—H O hydrogen bonds between the water molecules are also ...
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