Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2107456 | CIF HKL Paper | C15 H16 N2 O3 | P 1 21/c 1 | 10.116; 28.856; 4.8378 90; 103.908; 90 | 1370.8 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107457 | CIF HKL Paper | C15 H16 N2 O3 | P 1 21/c 1 | 10.144; 28.891; 4.847 90; 103.763; 90 | 1379.7 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107458 | CIF Paper | C15 H16 N2 O3 | C m c e | 19.638; 4.8378; 28.856 90; 90; 90 | 2741.5 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107459 | CIF Paper | C15 H16 N2 O3 | C m c e | 19.705; 4.847; 28.891 90; 90; 90 | 2759.4 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107460 | CIF HKL Paper | C15 H12 N2 O | P 1 21/n 1 | 7.498; 11.058; 13.789 90; 92.838; 90 | 1141.9 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107461 | CIF HKL Paper | C9 H7 N O4 | C 1 2/c 1 | 12.76; 8.0593; 16.6668 90; 104.61; 90 | 1658.53 | Wang, Ai; Ashurov, Jamshid; Ibragimov, Aziz; Wang, Ruimin; Mouhib, Halima; Mukhamedov, Nasir; Englert, Ulli Charge density of the biologically active molecule (2-oxo-1,3-benzoxazol-3(2<i>H</i>)-yl)acetic acid Acta Crystallographica Section B, 2016, 72, 142-150 |
| 2107462 | CIF HKL Paper | Ca2 H4 O9 P2 | P 1 21/n 1 | 12.60842; 9.24278; 6.74885 90; 104.992; 90 | 759.721 | Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis Acta Crystallographica Section B, 2016, 72, 96-101 |
| 2107463 | CIF Paper | Ca2 H4 O9 P2 | P 1 21/n 1 | 12.584; 9.2184; 6.7372 90; 104.949; 90 | 755.09 | Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis Acta Crystallographica Section B, 2016, 72, 96-101 |
| 2107464 | CIF Paper | C5 H14 N O6 P | P 1 21/a 1 | 11.91; 19.682; 25.516 90; 93.74; 90 | 5969 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107465 | CIF | C5 H14 N O6 P | P -1 | 11.873; 19.569; 14.218 116.88; 93.62; 90.15 | 2938.8 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107466 | CIF | C5 H14 N O6 P | P 1 21/a 1 | 11.39; 6.862; 12.216 90; 97.86; 90 | 945.8 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107467 | CIF | C5 H14 N O6 P | P -1 | 11.336; 20.486; 25.369 105.6; 97.5; 90.17 | 5621 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107468 | CIF HKL Paper | Ca2 Co O7 Si2 | P 21 21 2 | 23.52; 23.52; 5.03 90; 90; 90 | 2783 | Sazonov, Andrew; Hutanu, Vladimir; Meven, Martin; Roth, Georg; Kézsmárki, István; Murakawa, Hiroshi; Tokura, Yoshinori; Náfrádi, Bálint The low-temperature crystal structure of the multiferroic melilite Ca~2~CoSi~2~O~7~ Acta Crystallographica Section B, 2016, 72, 126-132 |
| 2107469 | CIF Paper | C38 H42 Cu N6 O11 | F d d 2 | 27; 56.855; 10.756 90; 90; 90 | 16511 | Pradhan, Subhashis; Moon, Dohyun; John, Rohith P. A double stranded metal‒organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling Acta Crystallographica Section B, 2016, 72, 102-108 |
| 2107470 | CIF Paper | Cs3 O15 Sc Si6 | R -3 m :H | 13.8611; 13.8611; 6.9924 90; 90; 120 | 1163.5 | Hejny, Clivia; Kahlenberg, Volker; Schmidmair, Daniela; Dabić, Predrag (3+1)-Incommensurately modulated crystal structure of Cs~3~ScSi~6~O~15~ Acta Crystallographica Section B, 2016, 72, 109-116 |
| 2107471 | CIF HKL Paper | C28 H24 N2 O4 | P 1 21/n 1 | 7.7952; 7.1669; 20.7708 90; 93.2075; 90 | 1158.59 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107472 | CIF HKL | C15 H14 N2 O3 | P -1 | 8.4176; 10.6487; 15.0679 75.883; 82.329; 83.301 | 1293.14 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107473 | CIF HKL | C15 H14 N2 O3 | P 1 21/c 1 | 14.0191; 6.1871; 16.6387 90; 111.74; 90 | 1340.55 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107474 | CIF HKL | C30 H28 N2 O4 | P -1 | 10.8843; 15.651; 16.6073 63.358; 79.726; 77.722 | 2459.66 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107475 | CIF HKL | C16 H16 N2 O3 | P -1 | 7.0311; 8.6172; 11.949 77.4101; 87.9565; 82.6358 | 700.71 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107476 | CIF HKL | C30 H28 N2 O6 | P 1 21/n 1 | 6.4681; 28.9773; 6.893 90; 103.812; 90 | 1254.58 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107477 | CIF HKL | C16 H16 N2 O4 | P -1 | 9.1225; 11.5523; 14.1938 90.7; 90.577; 104.055 | 1450.81 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107478 | CIF HKL | C17 H18 N2 O5 | P 1 21/c 1 | 14.02; 9.8795; 11.6434 90; 96.975; 90 | 1600.8 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107479 | CIF HKL Paper | Cr Fe O3 | R -3 :H | 5.077; 5.077; 13.9621 90; 90; 120 | 311.67 | Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO~3~ Acta Crystallographica Section B, 2015, 71, 555-561 |
| 2107480 | CIF Paper | C23 H41 Fe N3 O2 P2 | P 1 1 21/b | 31.781; 18.012; 18.262 90; 90; 90.004 | 10454 | Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory Acta Crystallographica Section B, 2015, 71, 524-534 |
| 2107481 | CIF Paper | C14 H25 Br2 Fe N3 O P2 | P 1 21/n 1 | 9.2939; 11.7224; 18.307 90; 94.999; 90 | 1986.9 | Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory Acta Crystallographica Section B, 2015, 71, 524-534 |
| 2107482 | CIF Paper | C46 H55 Cl2 Fe N3 O5 P2 | P 1 | 9.3389; 10.3155; 24.3224 96.277; 92.393; 90.009 | 2327 | Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory Acta Crystallographica Section B, 2015, 71, 524-534 |
| 2107483 | CIF HKL Paper | C46.111 H40.444 F12 N8 O1.333 P2 Ru | P 1 | 18.3127; 21.3286; 29.264 81.874; 89.211; 69.108 | 10563.1 | Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt An exceptional 5:4 enantiomeric structure Acta Crystallographica Section B, 2016, 72, 223-231 |
| 2107484 | CIF HKL Paper | C6 H6 N4 O4 | P 1 21 1 | 4.1964; 7.0129; 14.4528 90; 90.924; 90 | 425.28 | Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B, 2016, 72, 263-273 |
| 2107485 | CIF HKL | C6 H6 N4 O4 | P 1 21/c 1 | 13.5703; 7.8254; 7.9677 90; 102.26; 90 | 826.82 | Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B, 2016, 72, 263-273 |
| 2107486 | CIF Paper | F K2 O6 Sc Si2 | P 42/m n m | 8.978; 8.978; 8.2608 90; 90; 90 | 665.86 | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B, 2016, 72, 209-222 |
| 2107487 | CIF Paper | F K2 O6 Sc Si2 | P 42/m n m | 8.9878; 8.9878; 8.2694 90; 90; 90 | 668.007 | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B, 2016, 72, 209-222 |
| 2107488 | CIF Paper | F K2 O6 Sc Si2 | P 42/m n m | 8.9939; 8.9939; 8.2758 90; 90; 90 | 669.43 | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B, 2016, 72, 209-222 |
| 2107489 | CIF Paper | F K2 O6 Sc Si2 | P 42/m n m | 8.9878; 8.9878; 8.2694 90; 90; 90 | 668.007 | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B, 2016, 72, 209-222 |
| 2107490 | CIF Paper | F K2 O6 Sc Si2 | P 42/m n m | 8.9705; 8.9705; 8.2615 90; 90; 90 | 664.8 | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B, 2016, 72, 209-222 |
| 2107491 | CIF Paper | F K2 O6 Sc Si2 | P 42/m n m | 8.9622; 8.9622; 8.2705 90; 90; 90 | 664.3 | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B, 2016, 72, 209-222 |
| 2107492 | CIF HKL Paper | C24 H29 N3 O7 | P 1 21/c 1 | 12.2625; 14.1634; 15.425 90; 113.843; 90 | 2450.4 | Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles Acta Crystallographica Section B, 2016, 72, 326-334 |
| 2107493 | CIF HKL | C24 H30 N6 O6 | P -1 | 7.7212; 12.4488; 14.2673 112.608; 95.561; 93.541 | 1252.69 | Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles Acta Crystallographica Section B, 2016, 72, 326-334 |
| 2107494 | CIF HKL | C28 H24 N2 O3 | P 1 21/c 1 | 18.4503; 7.3939; 18.7699 90; 114.924; 90 | 2322.11 | Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles Acta Crystallographica Section B, 2016, 72, 326-334 |
| 2107495 | CIF HKL | C16 H16 N2 O5 | P 1 21/c 1 | 7.7275; 19.8281; 11.308 90; 117.679; 90 | 1534.35 | Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles Acta Crystallographica Section B, 2016, 72, 326-334 |
| 2107496 | CIF HKL | C36 H48 N6 O6 | P 1 21/c 1 | 15.6225; 13.501; 17.2314 90; 90.235; 90 | 3634.41 | Cvetkovski, Aleksandar; Bertolasi, Valerio; Ferretti, Valeria Supramolecular hydrogen-bonding patterns of co-crystals containing the active pharmaceutical ingredient (API) phloroglucinol and <i>N</i>-heterocycles Acta Crystallographica Section B, 2016, 72, 326-334 |
| 2107497 | CIF HKL | C32 H27 Ag2 F12 N10 O6 P5 | P -1 | 12.6372; 12.985; 14.7076 77.68; 68.355; 87.319 | 2190.24 | Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B, 2016, 72, 344-356 |
| 2107498 | CIF HKL | C32 H27 Ag2 Cl2 N10 O14 P3 | P -1 | 12.7463; 12.7843; 14.4175 69.521; 77.152; 87.168 | 2144.75 | Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B, 2016, 72, 344-356 |
| 2107499 | CIF HKL | C51 H45 Ag3 N9 O15 P3 S3 | P -1 | 13.1577; 13.7793; 18.4731 93.043; 104.723; 112.509 | 2949.8 | Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B, 2016, 72, 344-356 |
| 2107500 | CIF HKL | C32 H27 Ag2 B2 F8 N10 O6 P3 | P 1 | 8.1432; 9.879; 13.567 99.386; 99.515; 103.137 | 1025.1 | Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B, 2016, 72, 344-356 |
| 2107501 | CIF HKL | C30 H24 N9 O6 P3 | P 1 21/c 1 | 17.9886; 22.4886; 7.5366 90; 90.522; 90 | 3048.72 | Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B, 2016, 72, 344-356 |
| 2107502 | CIF HKL | C30 H26 Ag2 N11 O13 P3 | P 1 21 1 | 8.2988; 23.5144; 9.673 90; 101.61; 90 | 1848.98 | Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B, 2016, 72, 344-356 |
| 2107503 | CIF HKL | C31 H24 Ag F3 N9 O9 P3 S | R -3 | 12.5705; 12.5705; 38.213 90; 90; 120 | 5229.3 | Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B, 2016, 72, 344-356 |
| 2107504 | CIF Paper | C18 H20 N2 O3 | P -1 | 8.476; 9.923; 20.882 92.5; 93.048; 106.171 | 1681.3 | Prasad, A. Aditya; Kumar, C. Udhaya; Prakasam, B. Arul; Meenakshisundaram, S. P. Conformational polymorphs of isobutyl-6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate: spectroscopic, structural and DFT approach Acta Crystallographica Section B, 2016, 72, 301-309 |
| 2107505 | CIF HKL Paper | C19 H21 N5 O3 S | P -1 | 9.2198; 9.7844; 11.7345 94.456; 103.358; 95.444 | 1019.85 | Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K. One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors Acta Crystallographica Section B, 2016, 72, 335-343 |
| 2107506 | CIF HKL | C19 H20 F N5 O3 S | P -1 | 9.139; 9.877; 12.166 91.214; 102.681; 95.862 | 1064.7 | Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K. One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors Acta Crystallographica Section B, 2016, 72, 335-343 |
| 2107507 | CIF HKL | C68 H52 N20 O17 | C 1 2/c 1 | 7.6155; 27.2024; 16.0187 90; 98.988; 90 | 3277.7 | Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K. One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors Acta Crystallographica Section B, 2016, 72, 335-343 |
| 2107508 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.4422; 4.13054; 4.449 90; 90; 90 | 210.271 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107509 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.46438; 4.13865; 4.44651 90; 90; 90 | 210.974 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107510 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.48933; 4.14894; 4.44118 90; 90; 90 | 211.705 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107511 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.49417; 4.15096; 4.44175 90; 90; 90 | 211.924 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107512 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51746; 4.16192; 4.43267 90; 90; 90 | 212.479 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107513 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51965; 4.16265; 4.43427 90; 90; 90 | 212.633 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107514 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.54547; 4.17619; 4.42402 90; 90; 90 | 213.309 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107515 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.57949; 4.19611; 4.40769 90; 90; 90 | 214.164 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107516 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.62; 4.22357; 4.38333 90; 90; 90 | 215.125 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107517 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.64398; 4.24224; 4.36522 90; 90; 90 | 215.627 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107518 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.67175; 4.26761; 4.33976 90; 90; 90 | 216.166 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107519 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.70577; 4.30722; 4.29911 90; 90; 90 | 216.758 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107520 | CIF HKL Paper | Se Sn0.9816 | C m c m | 4.29978; 11.71878; 4.31479 90; 90; 90 | 217.414 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107521 | CIF HKL Paper | O3 Pb Ti | P 4 m m | 3.8992; 3.8992; 4.1499 90; 90; 90 | 63.094 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107522 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9043; 3.9043; 4.1407 90; 90; 90 | 63.119 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107523 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9117; 3.9117; 4.1243 90; 90; 90 | 63.108 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107524 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9211; 3.9211; 4.1025 90; 90; 90 | 63.076 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107525 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9339; 3.9339; 4.0683 90; 90; 90 | 62.96 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107526 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9435; 3.9435; 4.0401 90; 90; 90 | 62.83 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107527 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9474; 3.9474; 4.0263 90; 90; 90 | 62.74 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107528 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9503; 3.9503; 4.0161 90; 90; 90 | 62.67 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107529 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9637; 3.9637; 3.9637 90; 90; 90 | 62.273 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107530 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9639; 3.9639; 3.9639 90; 90; 90 | 62.28 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107531 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9646; 3.9646; 3.9646 90; 90; 90 | 62.32 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107532 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9674; 3.9674; 3.9674 90; 90; 90 | 62.45 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107533 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9702; 3.9702; 3.9702 90; 90; 90 | 62.58 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107534 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9734; 3.9734; 3.9734 90; 90; 90 | 62.73 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107535 | CIF HKL Paper | C26 H12 N4 O2 | P 1 21/c 1 | 11.7955; 4.768; 16.1261 90; 99.354; 90 | 894.89 | Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U. Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones Acta Crystallographica Section B, 2016, 72, 416-433 |
| 2107536 | CIF HKL Paper | C26 H12 N4 O2 | P 1 21/c 1 | 11.808; 4.8032; 16.246 90; 99.002; 90 | 910.1 | Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U. Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones Acta Crystallographica Section B, 2016, 72, 416-433 |
| 2107537 | CIF Paper | C26 H12 N4 O2 | P 1 21/c 1 | 11.798; 4.8049; 16.239 90; 99.021; 90 | 909.2 | Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U. Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones Acta Crystallographica Section B, 2016, 72, 416-433 |
| 2107538 | CIF HKL Paper | In31.14 S48 | I 41/a m d :2 | 7.6231; 7.6231; 32.358 90; 90; 90 | 1880.4 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
| 2107539 | CIF HKL Paper | In20.77 S32 | F d -3 m :2 | 10.8315; 10.8315; 10.8315 90; 90; 90 | 1270.77 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
| 2107540 | CIF HKL Paper | In1.95 S3 | P -3 m 1 | 3.86564; 3.86564; 9.1569 90; 90; 120 | 118.501 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
| 2107541 | CIF HKL Paper | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.4502; 12.1807; 10.3745 90; 105.125; 90 | 1030.85 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107542 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.479; 12.163; 10.311 90; 105.08; 90 | 1026.8 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107543 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.392; 11.9978; 10.225 90; 105.16; 90 | 993.7 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107544 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.295; 11.7449; 10.028 90; 105.04; 90 | 943.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107545 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.19; 11.534; 9.868 90; 105.27; 90 | 899.3 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107546 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.109; 11.3526; 9.743 90; 105.22; 90 | 865.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107547 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.062; 11.2548; 9.673 90; 105.24; 90 | 846.8 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107548 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.972; 11.07662; 9.548 90; 105.3; 90 | 813.2 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107549 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.933; 11.0001; 9.493 90; 105.31; 90 | 799 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107550 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.884; 10.9566; 9.442 90; 105.62; 90 | 785.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107551 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.818; 10.9711; 9.364 90; 106.24; 90 | 771.1 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107552 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.74; 11.002; 9.32 90; 106.6; 90 | 761 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107553 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.75; 10.971; 9.32 90; 105.9; 90 | 762 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107554 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.3451; 12.6701; 9.0724 90; 92.424; 90 | 1073.24 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107555 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.3358; 12.6654; 9.0617 90; 92.354; 90 | 1070.6 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107556 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.1483; 12.4808; 8.9285 90; 92.806; 90 | 1018.22 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107557 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.0373; 12.3612; 8.8401 90; 93.133; 90 | 986.07 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107558 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 8.8358; 12.1339; 8.663 90; 93.684; 90 | 926.86 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107559 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 8.7266; 12.0004; 8.552 90; 94.034; 90 | 893.37 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107560 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 8.634; 11.8759; 8.4516 90; 94.371; 90 | 864.08 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107561 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 8.62696; 11.8642; 8.4365 90; 94.402; 90 | 860.95 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107562 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 8.5993; 11.8196; 8.4004 90; 94.507; 90 | 851.18 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107563 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 8.5935; 11.8028; 8.3867 90; 94.545; 90 | 847.97 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107564 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 12.4719; 11.7861; 18.2203 90; 108.659; 90 | 2537.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107565 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 12.4621; 11.7356; 18.1595 90; 108.791; 90 | 2514.3 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107566 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 12.4107; 11.6668; 18.0201 90; 108.898; 90 | 2468.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107567 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 12.3419; 11.5743; 17.8001 90; 108.924; 90 | 2405.3 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107568 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 12.2228; 11.4444; 17.6137 90; 108.705; 90 | 2333.7 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107569 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.02123; 11.402; 13.3817 90; 96.785; 90 | 1063.78 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107570 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0336; 11.384; 13.4002 90; 96.765; 90 | 1065.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107571 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.8903; 11.047; 13.0243 90; 97.505; 90 | 982.9 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107572 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.7997; 10.861; 12.8446 90; 97.677; 90 | 940.1 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107573 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.7233; 10.696; 12.6919 90; 97.735; 90 | 904.4 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107574 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.6257; 10.477; 12.5074 90; 97.701; 90 | 860.4 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107575 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.5492; 10.261; 12.3694 90; 97.693; 90 | 823.8 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107576 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.4761; 10.113; 12.2352 90; 97.648; 90 | 794.2 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107577 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.418; 12.086; 10.284 90; 105.23; 90 | 1009.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107578 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.444; 12.15; 10.356 90; 105.16; 90 | 1025.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107579 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.452; 12.1793; 10.3752 90; 105.126; 90 | 1031 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107580 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 8.5114; 12.259; 10.447 90; 105.32; 90 | 1051.3 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107581 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.33953; 12.6686; 9.07081 90; 92.3136; 90 | 1072.37 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107582 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.3369; 12.6686; 9.0672 90; 92.319; 90 | 1071.64 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107583 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.33259; 12.6698; 9.0641 90; 92.3369; 90 | 1070.87 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107584 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.32836; 12.667; 9.06026 90; 92.373; 90 | 1069.66 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107585 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.32986; 12.6697; 9.0599 90; 92.3374; 90 | 1070.05 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107586 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.31919; 12.6638; 9.05327 90; 92.3688; 90 | 1067.52 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107587 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.319; 12.6665; 9.0468 90; 92.379; 90 | 1066.96 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107588 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.3118; 12.6639; 9.0463 90; 92.402; 90 | 1065.84 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107589 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.30755; 12.6617; 9.04501 90; 92.4045; 90 | 1065.01 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107590 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.3016; 12.6567; 9.0416 90; 92.401; 90 | 1063.51 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107591 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2988; 12.6607; 9.0373 90; 92.434; 90 | 1063 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107592 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.294; 12.6577; 9.0341 90; 92.469; 90 | 1061.79 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107593 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2959; 12.6555; 9.0333 90; 92.464; 90 | 1061.73 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107594 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2925; 12.654; 9.0308 90; 92.474; 90 | 1060.92 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107595 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.28752; 12.6574; 9.02963 90; 92.466; 90 | 1060.5 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107596 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2825; 12.6543; 9.027 90; 92.466; 90 | 1059.36 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107597 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2825; 12.6537; 9.02394 90; 92.4988; 90 | 1058.93 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107598 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2826; 12.6502; 9.0188 90; 92.499; 90 | 1058.04 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107599 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.28172; 12.6461; 9.01718 90; 92.5053; 90 | 1057.4 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107600 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2773; 12.6455; 9.0171 90; 92.483; 90 | 1056.86 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107601 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.2738; 12.6428; 9.0144 90; 92.47; 90 | 1055.93 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107602 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.3857; 12.7073; 9.0665 90; 92.194; 90 | 1080.54 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107603 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.4049; 12.7226; 9.0743 90; 92.152; 90 | 1085.02 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107604 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.4161; 12.7255; 9.0843 90; 92.068; 90 | 1087.81 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107605 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.428; 12.7377; 9.0927 90; 91.994; 90 | 1091.29 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107606 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.4503; 12.748; 9.1023 90; 91.926; 90 | 1095.96 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107607 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.4658; 12.7447; 9.1115 90; 91.912; 90 | 1098.59 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107608 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.4832; 12.7407; 9.1205 90; 91.892; 90 | 1101.36 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107609 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.5005; 12.7399; 9.1283 90; 91.889; 90 | 1104.25 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107610 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.5132; 12.7475; 9.1351 90; 91.838; 90 | 1107.24 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107611 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.5273; 12.7522; 9.1401 90; 91.801; 90 | 1109.92 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107612 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/c 1 | 9.5075; 12.74; 9.1388 90; 91.892; 90 | 1106.34 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107613 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0235; 11.4057; 13.3987 90; 96.708; 90 | 1065.99 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107614 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0116; 11.3717; 13.3708 90; 96.705; 90 | 1058.81 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107615 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.001; 11.3406; 13.3463 90; 96.705; 90 | 1052.39 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107616 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.988; 11.3115; 13.3234 90; 96.682; 90 | 1045.99 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107617 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 6.977; 11.2898; 13.3041 90; 96.687; 90 | 1040.82 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107618 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0391; 11.4914; 13.4616 90; 96.676; 90 | 1081.51 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107619 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0534; 11.5465; 13.4903 90; 96.648; 90 | 1091.29 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107620 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0638; 11.6103; 13.5208 90; 96.459; 90 | 1101.8 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107621 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0749; 11.6762; 13.5923 90; 96.32; 90 | 1116.01 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107622 | CIF HKL Paper | C15 H14 Mn N2 O6 | P b c a | 14.648; 12.4006; 16.6062 90; 90; 90 | 3016.4 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107623 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.3847; 12.2888; 16.6029 90; 90; 90 | 2934.9 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107624 | CIF | C15 H14 Mn N2 O6 | P b c a | 14.1985; 12.0745; 16.5616 90; 90; 90 | 2839.3 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107625 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.15; 11.86; 16.574 90; 90; 90 | 2781.4 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107626 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.138; 11.686; 16.583 90; 90; 90 | 2739.8 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107627 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.14; 11.319; 16.6 90; 90; 90 | 2656.8 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107628 | CIF HKL Paper | Bi2.27 Cu O6.18 Sr1.73 | A 1 2/a 1 | 5.3869; 5.3874; 24.579 90; 90.01; 90 | 713.32 | Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V. New insight on bismuth cuprates with incommensurate modulated structures Acta Crystallographica Section B, 2016, 72, 395-403 |
| 2107629 | CIF HKL Paper | C12 H30 Co N11 O9 | P 1 21 1 (c,2*a+c,b) | 8.4283; 14.5984; 15.7057 90; 90; 89.9943 | 1932.42 | Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs The <i>Z</i>' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H···O hydrogen bonds Acta Crystallographica Section B, 2016, 72, 372-380 |
| 2107630 | CIF HKL Paper | C11 H19 N | P 1 21/m 1 | 8.2451; 6.5202; 8.8214 90; 96.509; 90 | 471.18 | Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B, 2016, 72, 551-561 |
| 2107631 | CIF HKL | C11 H20 Cl N | P 21 21 21 | 6.6114; 20.4778; 24.6057 90; 90; 90 | 3331.3 | Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B, 2016, 72, 551-561 |
| 2107632 | CIF HKL | C21 H27 Cl N2 | I 4/m | 20.275; 20.275; 5.0989 90; 90; 90 | 2096.03 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107633 | CIF HKL | C21 H27 Cl N2 | I 4/m | 20.275; 20.275; 5.0989 90; 90; 90 | 2096.03 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107634 | CIF HKL | C21 H27 Cl N2 | I 4/m | 19.924; 19.924; 5.088 90; 90; 90 | 2019.8 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107635 | CIF HKL | C21 H27 Cl N2 | I 4/m | 19.924; 19.924; 5.088 90; 90; 90 | 2019.8 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107636 | CIF HKL Paper | C6 H15 As2 N3 O10 | P 1 21 1 | 9.2196; 8.9077; 8.83 90; 108.69; 90 | 686.93 | Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay Growth, morphology, structure and characterization of <small>L</small>-histidinium dihydrogen arsenate orthoarsenic acid single crystal Acta Crystallographica Section B, 2016, 72, 593-601 |
| 2107637 | CIF Paper | In Mo4 O6 | P 4/m b m | 9.6664; 9.6664; 2.8645 90; 90; 90 | 267.66 | Schultz, Peter; Simon, Arndt; Oeckler, Oliver Modulated crystal structure of InMo~4~O~6~ Acta Crystallographica Section B, 2016, 72, 642-649 |
| 2107638 | CIF HKL | C32 H50 O4 | P 21 21 21 | 12.9577; 13.0369; 16.3908 90; 90; 90 | 2768.87 | Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B, 2016, 72, 584-592 |
| 2107639 | CIF HKL | C33 H52 O4 | P 21 21 21 | 11.7789; 13.0812; 18.7845 90; 90; 90 | 2894.36 | Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B, 2016, 72, 584-592 |
| 2107640 | CIF HKL | C36 H57 N O5 | P 21 21 21 | 12.87; 13.6972; 18.5682 90; 90; 90 | 3273.26 | Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B, 2016, 72, 584-592 |
| 2107952 | CIF Paper | Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 | P 4/m m m | 3.8551; 3.8551; 11.6782 90; 90; 90 | 173.56 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2107953 | CIF | Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 | P 4/m m m | 3.8526; 3.8526; 11.666 90; 90; 90 | 173.15 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2107954 | CIF Paper | C H6 I3 N Pb | I 4 2 2 | 8.88375; 8.88375; 12.701 90; 90; 90 | 1002.38 | Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions Acta Crystallographica Section B, 2016, 72, 716-722 |
| 2107955 | CIF HKL Paper | C0.925 H5.55 I2.982 N0.925 O0.088 Pb | P 42 21 2 | 8.8829; 8.8829; 12.7008 90; 90; 90 | 1002.17 | Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions Acta Crystallographica Section B, 2016, 72, 716-722 |
| 2107956 | CIF HKL Paper | C28 H26 N4 O2 | P -1 | 8.9389; 9.7292; 16.065 89.067; 78.856; 62.927 | 1216.48 | Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study Acta Crystallographica Section B, 2016, 72, 684-692 |
| 2107957 | CIF HKL Paper | C30 H33 N3 O4 | P -1 | 9.425; 11.6209; 12.608 88.708; 68.696; 86.313 | 1283.89 | Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study Acta Crystallographica Section B, 2016, 72, 684-692 |
| 2107958 | CIF HKL Paper | C10 H12 Br2 O2 | P 1 21/c 1 | 16.663; 7.943; 8.924 90; 94.725; 90 | 1177.1 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107959 | CIF HKL | C30 H52 Br2 O2 | P 1 21/c 1 | 39.897; 8.421; 9.321 90; 91.622; 90 | 3130 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107960 | CIF HKL | C34 H60 Br2 O2 | P 1 21/c 1 | 45.22; 8.374; 9.279 90; 91.809; 90 | 3512 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107961 | CIF HKL | C42 H76 Br2 O2 | C 1 2/c 1 | 110.75; 8.2292; 9.1539 90; 92.268; 90 | 8336.2 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107962 | CIF HKL | C24 H34 N6 | P -1 | 8.7977; 10.3488; 13.4887 84.101; 87.035; 73.903 | 1173.34 | Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. <i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B, 2016, 72, 709-715 |
| 2107963 | CIF HKL | C24 H22 N6 | P 21 21 21 | 8.2134; 12.2105; 21.052 90; 90; 90 | 2111.3 | Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. <i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B, 2016, 72, 709-715 |
| 2107964 | CIF HKL | C22 H30 N6 | P 1 21/c 1 | 13.143; 10.3517; 16.1607 90; 101.651; 90 | 2153.4 | Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. <i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B, 2016, 72, 709-715 |
| 2107965 | CIF Paper | C3 H3 N3 O2 | P 1 21/c 1 | 7.3215; 9.8106; 6.7539 90; 115.71; 90 | 437.095 | Kalaiarasi, Chinnasamy; Pavan, Mysore S.; Kumaradhas, Poomani Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study Acta Crystallographica Section B, 2016, 72, 775-786 |
| 2107966 | CIF HKL Paper | C9 H16 S Si | P 21 21 21 | 5.6366; 11.0112; 17.8309 90; 90; 90 | 1106.69 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order–disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107967 | CIF HKL | C15 H28 S Si | P -1 | 7.962; 13.842; 15.326 92.33; 99.313; 90.721 | 1665.1 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order–disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107968 | CIF HKL | C15 H28 S Si | P -1 | 9.4082; 11.2004; 16.3446 79.108; 83.424; 89.3 | 1680.1 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order–disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107969 | CIF HKL | C12 H22 S Si | P -1 | 6.2535; 7.2501; 32.335 92.496; 91.452; 107.191 | 1398.1 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order–disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107970 | CIF Paper | C22 H33 N3 O6 S | P 1 21 1 | 8.3052; 6.1117; 23.7414 90; 93.652; 90 | 1202.64 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107971 | CIF Paper | C25 H30 N2 O4 S | P 1 21/c 1 | 16.9513; 6.9458; 21.5346 90; 95.409; 90 | 2524.2 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107972 | CIF Paper | C25 H28 N2 O3 S | P 1 21/c 1 | 8.6363; 20.6504; 12.9243 90; 93.435; 90 | 2300.82 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107973 | CIF Paper | C25 H27 N3 O3 S2 | P 1 21/n 1 | 6.8375; 15.8835; 23.2329 90; 92.451; 90 | 2520.86 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107974 | CIF Paper | C18 H23 Cl N2 S | P 1 21/c 1 | 16.9383; 6.5283; 17.8173 90; 111.406; 90 | 1834.3 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107975 | CIF Paper | C36 H45 Cl N4 S2 | P 1 21/c 1 | 20.9755; 7.716; 10.6432 90; 93.067; 90 | 1720.1 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107976 | CIF Paper | C18 H23 Br N2 S | P 1 21/c 1 | 13.0982; 18.2551; 7.8088 90; 100.698; 90 | 1834.7 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107977 | CIF Paper | C36 H45 Br N4 S2 | P 1 21/c 1 | 21.1781; 7.8799; 10.5126 90; 87.993; 90 | 1753.28 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107978 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.6341; 17.8996; 20.096 90; 101.098; 90 | 4106.6 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107979 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.6463; 17.9257; 20.11 90; 101.06; 90 | 4120.3 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107980 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.6801; 17.9212; 20.1555 90; 100.954; 90 | 4142.1 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107981 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.6874; 17.9345; 20.1975 90; 100.976; 90 | 4156.1 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107982 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.703; 17.9455; 20.2104 90; 101.001; 90 | 4166.5 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107983 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.7471; 17.9659; 20.25 90; 100.904; 90 | 4196.5 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107984 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.801; 18.019; 20.201 90; 100.958; 90 | 4217.3 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107985 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.4301; 16.2937; 18.8001 90; 106.835; 90 | 3937.6 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107986 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.4487; 16.3096; 18.8302 90; 106.902; 90 | 3951.9 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107987 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.4625; 16.3181; 18.8624 90; 106.983; 90 | 3963 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107988 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.4813; 16.3521; 18.8926 90; 107.073; 90 | 3981.3 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107989 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.5052; 16.382; 18.9409 90; 107.106; 90 | 4005.1 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107990 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.5221; 16.3924; 18.982 90; 107.079; 90 | 4022 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107991 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.5393; 16.4475; 19.021 90; 107.159; 90 | 4047.2 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107992 | CIF Paper | C13 H19 Cl N2 O2 | P b c n | 17.8252; 7.2708; 20.6396 90; 90; 90 | 2674.96 | Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc The orthorhombic pseudopolymorph of tacrine hydrochloride Acta Crystallographica Section B, 2016, 72, 771-774 |
| 2107993 | CIF HKL Paper | Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 | P 4/n n c :2 | 15.5326; 15.5326; 11.804 90; 90; 90 | 2847.85 | Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I. Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan Acta Crystallographica Section B, 2016, 72, 744-752 |
| 2107994 | CIF | Mn4 Na4 O18 Ti5 | P b a m | 9.268; 26.601; 2.888 90; 90; 90 | 712 | Mumme, W. G. The structure of Na~4~Mn~4~Ti~5~O~18~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1968, 24, 1114-1120 |
| 2107995 | CIF | Ga4 O48 Ti21 | C 1 2/m 1 | 51.8; 2.975; 10.302 90; 103.8; 90 | 1541.8 | Lloyd, D. J.; Grey, I. E.; Bursill, L. A. The structure of Ga~4~Ti~21~O~48~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1976, 32, 1756-1761 |
| 2107996 | CIF Paper | C21 H22 N2 O2 | P -1 | 7.6021; 8.4538; 15.375 88.99; 84.05; 64.75 | 888.5 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2107997 | CIF | C21 H22 N2 O2 | P 1 21/n 1 | 7.7857; 8.1859; 27.953 90; 96.87; 90 | 1768.7 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2107998 | CIF HKL | C21 H22 N2 O2 | P -1 | 7.6738; 7.7598; 16.2725 78.957; 83.673; 65.094 | 862.12 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2107999 | CIF HKL | C20 H19 Cl N2 O2 | P -1 | 7.6718; 7.7441; 16.056 80.06; 84.88; 65.5 | 854.8 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108000 | CIF HKL | C21 H22 N2 O2 | P -1 | 7.5271; 7.5702; 15.664 88.11; 78.41; 89.2 | 873.9 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108001 | CIF HKL | C20 H19 Cl N2 O2 | P 1 21/n 1 | 7.7585; 8.0699; 28.056 90; 97.29; 90 | 1742.4 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108002 | CIF HKL | C20 H19 Cl N2 O2 | P b c a | 7.8069; 13.987; 32.185 90; 90; 90 | 3514.4 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108003 | CIF HKL Paper | C24 H17 Cu F6 N3 O4 | P -1 | 9.3862; 10.7268; 13.3463 70.106; 75.783; 84.529 | 1224.77 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108004 | CIF HKL Paper | C24 H17 F6 N3 O4 Zn | P 1 2/n 1 | 11.5334; 9.2949; 13.0287 90; 115.198; 90 | 1263.79 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108005 | CIF HKL Paper | C24 H16 Cu F6 N2 O4 | C 1 2/m 1 | 16.698; 7.5724; 11.9436 90; 121.097; 90 | 1293.17 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108006 | CIF HKL Paper | C24 H16 F6 N2 O4 Zn | C 1 2/m 1 | 16.8348; 7.2272; 12.2602 90; 121.311; 90 | 1274.43 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108007 | CIF HKL Paper | C24 H16 F6 N2 O4 Zn | P -1 | 7.211; 8.9713; 10.9554 92.223; 106.931; 113.347 | 612.83 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108008 | CIF HKL Paper | C32 H22 Cu F6 N2 O4 | P -1 | 8.646; 9.6246; 9.6615 65.711; 78.619; 88.191 | 717.29 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108009 | CIF | C H7 N2 O5 P | P b c a | 17.6492; 7.482; 9.0018 90; 90; 90 | 1188.7 | Kostansek, Edward C.; Busing, William R. A single-crystal neutron-diffraction study of urea-phosphoric acid Acta Crystallographyca B, 1972, 2454-2459 |
| 2108010 | CIF Paper | Al1.44 Ca0.49 Na0.51 O8 Si2.56 | ? | 8.1661; 12.8545; 14.235 93.5777; 116.309; 89.593 | 1336.52 | Xu, Huifang; Jin, Shiyun; Noll, Bruce C. Incommensurate density modulation in a Na-rich plagioclase feldspar: <i>Z</i>-contrast imaging and single-crystal X-ray diffraction study Acta Crystallographica Section B, 2016, 72, 904-915 |
| 2108011 | CIF HKL Paper | C6 H13 N O2 | P 1 21 1 | 9.606; 5.324; 14.666 90; 94.06; 90 | 748.2 | Binns, Jack; Parsons, Simon; McIntyre, Garry J. Accurate hydrogen parameters for the amino acid <small>L</small>-leucine Acta Crystallographica Section B, 2016, 72, 885-892 |
| 2108012 | CIF HKL | C6 H13 N O2 | P 1 21 1 | 9.562; 5.301; 14.519 90; 94.2; 90 | 734 | Binns, Jack; Parsons, Simon; McIntyre, Garry J. Accurate hydrogen parameters for the amino acid <small>L</small>-leucine Acta Crystallographica Section B, 2016, 72, 885-892 |
| 2108013 | CIF HKL Paper | H O4 Rb S | P 1 n 1 | 14.2651; 4.5853; 14.2789 90; 117.999; 90 | 824.66 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108014 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.3602; 4.6156; 14.413 90; 118.069; 90 | 842.9 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108015 | CIF | H O4 Rb S | P 1 21/n 1 | 14.3602; 4.6156; 14.413 90; 118.069; 90 | 842.9 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108016 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.3602; 4.6156; 14.413 90; 118.069; 90 | 842.9 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108017 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.324; 4.6263; 14.401 90; 117.74; 90 | 844.6 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108018 | CIF HKL | H O4 Rb S | P 1 n 1 | 14.166; 4.5982; 14.326 90; 117.68; 90 | 826.4 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108019 | CIF HKL | H O4 Rb S | P 1 21/c 1 | 7.3202; 7.765; 7.3247 90; 110.938; 90 | 388.85 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108020 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.3405; 4.615; 14.3723 90; 118.054; 90 | 839.42 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108021 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.334; 4.6197; 14.361 90; 118.94; 90 | 832.2 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108022 | CIF HKL Paper | C7 H9 N3 O5 | P 1 21/c 1 | 15.9356; 7.48389; 17.139 90; 112.052; 90 | 1894.47 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108023 | CIF HKL | C7 H10 N2 O6 S | P 1 21/c 1 | 15.9394; 5.01801; 12.931 90; 101.367; 90 | 1013.99 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108024 | CIF HKL | C14 H18 F6 N4 O4 Si | P 1 21/c 1 | 6.1643; 10.2128; 29.824 90; 92.439; 90 | 1875.86 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108025 | CIF HKL | C14 H22 F6 N4 O6 Si | P 1 21/c 1 | 15.0445; 8.8682; 8.1133 90; 104.638; 90 | 1047.32 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108026 | CIF | C8 N4 S3 | P 1 21/n 1 | 11.947; 6.696; 12.598 90; 108.6; 90 | 955.2 | Curtis, Farren; Wang, Xiaopeng; Marom, Noa Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[<i>c</i>]-isothiazole Acta Crystallographica Section B, 2016, 72, 562-570 |
| 2108027 | CIF HKL Paper | Fe2 O3 | C 1 2/c 1 | 9.61865; 5.03554; 13.75158 90; 162.404; 90 | 201.349 | Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32 |
| 2108028 | CIF HKL Paper | Fe2 O3 | C 1 2/c 1 | 9.6892; 5.08737; 13.84868 90; 162.351; 90 | 206.967 | Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32 |
| 2108029 | CIF HKL Paper | C4 H12 Cl N5 | P 1 21/c 1 | 7.9104; 13.8794; 7.931 90; 114.606; 90 | 791.69 | Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A. Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent Acta Crystallographica Section B, 2017, 73, 10-22 |
| 2108030 | CIF HKL Paper | C22 H24 Br F3 I3 N | P b c a | 15.7522; 22.3326; 15.5213 90; 90; 90 | 5460.2 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108031 | CIF HKL Paper | C22 H24 Br F3 I3 N | C 1 2/c 1 | 31.434; 14.8275; 26.724 90; 116.034; 90 | 11192 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108032 | CIF HKL Paper | C47 H24 Br F6 I6 N2 P | C 1 2/c 1 | 10.6026; 16.3599; 30.679 90; 97.626; 90 | 5274.4 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108033 | CIF HKL Paper | C88 H40 Br2 F12 I12 P2 | P a -3 | 22.3941; 22.3941; 22.3941 90; 90; 90 | 11230.5 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108034 | CIF HKL Paper | C49 H26 Br F6 I6 N2 O P | C 1 2/c 1 | 10.5098; 16.2789; 30.9417 90; 95.6557; 90 | 5268 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108035 | CIF HKL Paper | C52 H26 Br F6 I6 N2 P | C 1 2/c 1 | 10.5544; 16.4031; 30.8221 90; 96.1095; 90 | 5305.8 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108036 | CIF HKL Paper | C45 H27 Br F5 I3 N P | P 1 21/n 1 | 10.7807; 28.8937; 14.89 90; 93.368; 90 | 4630.1 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108037 | CIF HKL Paper | C31 H24 Br F2 P | P 1 21/n 1 | 10.7103; 18.0967; 13.6486 90; 96.2767; 90 | 2629.53 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108038 | CIF | C7 H6 N2 | P n a 21 | 8.27; 16.94; 4.89 90; 90; 90 | 685.1 | Merlino, Stefano; Sartori, Franco The structures of m-cyanoaniline and p-cyanoaniline Acta Crystallographica Section B, 1982, 38, 1476-1480 |
| 2108039 | CIF | C7 H6 N2 | P 1 21/c 1 | 7.35; 5.56; 16.1 90; 102; 90 | 643.6 | Merlino, Stefano; Sartori, Franco The structures of m-cyanoaniline and p-cyanoaniline Acta Crystallographica Section B, 1982, 38, 1476-1480 |
| 2108040 | CIF | C4 H12 N2 O13 Si6 | C 1 2/c 1 | 13.57; 4.9; 22.46 90; 91.67; 90 | 1492.8 | Andrews, S. J.; Papiz, M. Z.; McMeeking, R.; Blake, A. J.; Lowe, B. M.; Franklin, K. R.; Helliwell, J. R.; Harding, M. M. Piperazine Silicate (EU 19): the Structure of a Very Small Crystal Determined with Synchrotron Radiation Acta Crystallographica, Section B: Structural Science, 1988, 44, 73-77 |
| 2108041 | CIF | F4 Zr | P 42/m | 7.896; 7.896; 7.724 90; 90; 90 | 481.57 | Papiernik, R.; Mercurio, D.; Frit, B. Structure du tetrafluorure de zirconium, ZrF4 alpha Acta Crystallographica, Section B, 1982, 38, 2347-2353 |
| 2108042 | CIF HKL | Al4.847 O9.577 Si1.153 | P b a m | 7.5817; 7.6752; 2.8843 90; 90; 90 | 167.84 | Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73 |
| 2108043 | CIF | Al4.8 O9.6 Si1.2 | B b 21 m | 75.817; 7.6752; 5.7686 90; 90; 90 | 3356.8 | Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73 |
| 2108044 | CIF | La2 O7 Ti2 | C m c 21 | 3.954; 25.952; 5.607 90; 90; 90 | 575.4 | Ishizawa, N.; Marumo, F.; Iwai, S.; Kimura, M.; Kawamura, T. Compounds with perovskire-type slabs. V. A high-temperature modification of La2Ti2O7 Acta Crystallographica, Section B, 1982, 38, 368-372 |
| 2108045 | CIF | F7 K3 O8 Ta4 | P m n 21 | 3.918; 18.072; 19.057 90; 90; 90 | 1349.4 | Boukhari, A.; Chaminade, J. P.; Pouchard, M.; Vlasse, M. Structure of the potassium tantalum fluoride oxide K3Ta4F7O8 Acta Crystallographica, Section B, 1980, 36, 237-240 |
| 2108046 | CIF | C4 H14 Mn O8 | P 1 21/c 1 | 11.1; 17.51; 9.09 90; 118.62; 90 | 1551 | Tranqui, D.; Burlet, P.; Filhol, A.; Thomas, M. Redetermination by neutron diffraction of the structure of manganese acetate tetrahydrate (MAT) Acta Crystallographica, Section B, 1977, 33, 1357-1361 |
| 2108047 | CIF | Er10 O21 W2 | P b c n | 15.8221; 10.4814; 10.5407 90; 90; 90 | 1748 | Bevan, D. J. M.; Drennan, J.; Rossell, H. J. Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21 Acta Crystallographica, Section B, 1982, 38, 2991-2997 |
| 2108048 | CIF | O21 W2 Y10 | P b c n | 15.8761; 10.5232; 10.5778 90; 90; 90 | 1767.2 | Bevan, D. J. M.; Drennan, J.; Rossell, H. J. Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21 Acta Crystallographica, Section B, 1982, 38, 2991-2997 |
| 2108049 | CIF HKL Paper | C8 H11 N2 O7.5 | P 21 21 2 | 19.7808; 8.9659; 6.0713 90; 90; 90 | 1076.76 | Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Singh, Budhendra; Bdikin, Igor; Saini, Anupama; Gopalaiah, Kovuru; Kumar, Binay Crystal structure of bis(L-asparaginium hydrogensquarate) monohydrate Acta Crystallographica, Section B, 2017, 73, 347-359 |
| 2108050 | CIF HKL | C2 Ca K0.36 Na1.64 O6 | C m c m | 5.062; 8.79; 12.744 90; 90; 90 | 567.04 | Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D. Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~ Acta Crystallographica Section B, 2017, 73, 276-284 |
| 2108051 | CIF Paper | C20 H23 N3 O10 S2 | P n m a | 14.563; 6.748; 23.299 90; 90; 90 | 2289.6 | Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ) Acta Crystallographica Section B, 2017, 73, 489-497 |
| 2108052 | CIF HKL Paper | C20 H24 N2 O11 S3 | P 21 21 21 | 6.901; 12.371; 28.674 90; 90; 90 | 2448 | Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ) Acta Crystallographica Section B, 2017, 73, 489-497 |
| 2108053 | CIF HKL Paper | C14 H13 F4 I O2 S2 | P -1 | 5.1915; 11.1729; 15.037 105.837; 90.773; 100.81 | 822.28 | Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles Acta Crystallographica Section B, 2017, 73, 240-246 |
| 2108054 | CIF HKL | C40 H36 F8 I2 N2 O4 S4 | P -1 | 7.7856; 10.1191; 14.647 91.391; 101.045; 110.18 | 1057.9 | Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles Acta Crystallographica Section B, 2017, 73, 240-246 |
| 2108055 | CIF HKL Paper | C14 H14 N2 O4 | I 1 2/a 1 | 20.333; 5.1356; 24.966 90; 90.909; 90 | 2606.7 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108056 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.332; 5.1318; 25.024 90; 90.917; 90 | 2610.7 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108057 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.296; 5.1263; 25.005 90; 90.95; 90 | 2601.2 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108058 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.088; 5.2242; 25.033 90; 92.308; 90 | 2624.9 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108059 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.084; 5.2206; 25.04 90; 92.375; 90 | 2623.2 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108060 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.126; 5.2212; 25.134 90; 92.401; 90 | 2638.8 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108061 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.161; 5.218; 25.234 90; 92.559; 90 | 2652 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108062 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.246; 5.2132; 25.372 90; 92.557; 90 | 2675.3 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
| 2108063 | CIF HKL Paper | C8 H40 Cr6 N4 O36 U4 | P 1 21 1 | 8.8638; 11.1097; 11.5441 90; 107.878; 90 | 1081.9 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108064 | CIF HKL | Cr H2.67 K0.47 O6.67 Rb0.19 U0.67 | P 1 21/c 1 | 11.0898; 10.5667; 16.2713 90; 90.109; 90 | 1906.7 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108065 | CIF HKL | C2.13 Cr0.8 N0.53 O4.53 U0.53 | P 1 21/c 1 | 11.4334; 11.525; 18.79 90; 92.427; 90 | 2473.7 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108066 | CIF HKL | C8 H38 Cr6 N4 O35 U4 | P 21 21 21 | 11.1281; 11.152; 32.85 90; 90; 90 | 4076.7 | Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya Formation of co-racemic uranyl chromate constructed from chiral layers of different topology Acta Crystallographica Section B, 2017, 73, 101-111 |
| 2108067 | CIF HKL Paper | C38 H46 Br4 Co N2 O4 | P -1 | 8.9545; 10.1012; 11.5659 85.879; 89.31; 65.16 | 946.72 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108068 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 8.9612; 10.1111; 11.5984 85.951; 89.29; 65.221 | 951.59 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108069 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 8.9788; 10.1598; 11.6606 86.014; 89.423; 65.463 | 965.1 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108070 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 9.0047; 10.2138; 11.6756 86.394; 89.775; 65.652 | 976.1 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108071 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 8.9569; 10.7763; 11.7042 85.308; 87.784; 62.483 | 998.56 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108072 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -1 | 9.008; 10.899; 11.769 85.328; 87.483; 62.462 | 1021.1 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108073 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.1281; 20.1281; 8.9942 90; 90; 120 | 3155.72 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108074 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.255; 20.255; 9.0132 90; 90; 120 | 3202.4 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108075 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.3624; 20.3624; 9.0045 90; 90; 120 | 3233.3 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108076 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.4697; 20.4697; 9.0166 90; 90; 120 | 3271.9 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108077 | CIF HKL | C38 H46 Br4 Co N2 O4 | P -3 | 20.688; 20.688; 9.0563 90; 90; 120 | 3356.7 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108078 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.0094; 20.0094; 8.8987 90; 90; 120 | 3085.5 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108079 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.166; 20.166; 8.9271 90; 90; 120 | 3144 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108080 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.243; 20.243; 8.933 90; 90; 120 | 3170 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108081 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.334; 20.334; 8.945 90; 90; 120 | 3203 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108082 | CIF HKL | C38 H46 Cl4 Co N2 O4 | P -3 | 20.643; 20.643; 9.015 90; 90; 120 | 3327 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108083 | CIF HKL | C38 H44 Br6 Co N2 O4 | P -1 | 8.8113; 10.7232; 11.522 91.925; 93.441; 93.722 | 1083.64 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108084 | CIF HKL | C38 H44 Br6 Co N2 O4 | P -1 | 8.807; 10.6922; 11.4658 91.692; 93.393; 93.903 | 1074.69 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108085 | CIF HKL | C38 H44 Br6 Co N2 O4 | P -1 | 8.8725; 10.798; 11.6965 92.641; 94.358; 93.791 | 1113.43 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108086 | CIF HKL | C38 H44 Cl6 Co N2 O4 | P -1 | 8.7762; 10.5578; 11.4878 91.565; 93.882; 93.95 | 1058.92 | Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B, 2017, 73, 304-312 |
| 2108087 | CIF HKL Paper | C66 H36 F16 I8 N6 | C 1 2/c 1 | 11.455; 27.777; 21.823 90; 95.607; 90 | 6911 | Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B, 2017, 73, 247-254 |
| 2108088 | CIF HKL | C54 H32 F4 I2 N4 | P 1 21/c 1 | 7.367; 11.435; 25.882 90; 93.609; 90 | 2176 | Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B, 2017, 73, 247-254 |
| 2108089 | CIF HKL | C30 H12 Cl4 F4 I2 N4 | P 1 21/c 1 | 10.5713; 21.091; 7.1214 90; 108.149; 90 | 1508.8 | Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B, 2017, 73, 247-254 |
| 2108090 | CIF HKL Paper | C27 H23 F6 I2 N3 O7 S2 | P b c n | 22.4519; 18.1915; 8.0879 90; 90; 90 | 3303.4 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard–soft acid–base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108091 | CIF HKL | C25 H20 I2 N4 O S2 | P -1 | 9.1203; 11.3562; 13.9355 77.294; 71.958; 77.39 | 1321.1 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard–soft acid–base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108092 | CIF HKL | C24.97 H17.94 Cl1.94 I2 N4 S2 | P -1 | 7.727; 10.9671; 16.978 103.375; 98.725; 94.093 | 1375.04 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard‒soft acid‒base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108093 | CIF HKL | C22 H16 I8 N2 | P 1 21/n 1 | 7.3983; 10.437; 41.8567 90; 93.424; 90 | 3226.2 | Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B. Experimental investigation of halogen-bond hard–soft acid–base complementarity Acta Crystallographica Section B, 2017, 73, 203-209 |
| 2108094 | CIF HKL Paper | C5 H7 N3 O6 S | P n a 21 | 17.891; 4.586; 10.941 90; 90; 90 | 897.7 | Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate Acta Crystallographica Section B, 2017, 73, 337-346 |
| 2108095 | CIF HKL Paper | C5 H7 N3 O6 S | P 1 21 1 | 9.051; 10.968; 18.268 90; 104.35; 90 | 1756.9 | Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate Acta Crystallographica Section B, 2017, 73, 337-346 |
| 2108096 | CIF HKL Paper | C14 H6 Br2 I2 O6 U | P 1 21/n 1 | 9.589; 17.193; 12.241 90; 101.085; 90 | 1980.4 | Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L. Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO~2~‒3-bromo-5-iodobenzoic acid coordination polymer Acta Crystallographica Section B, 2017, 73, 234-239 |
| 2108097 | CIF HKL Paper | C14 H14 N2 Ni2 O11 | P -1 | 13.7266; 16.9157; 16.908 69.7619; 69.3377; 69.3655 | 3325.9 | Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M. An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B, 2017, 73, 413-418 |
| 2108098 | CIF HKL | C56 H44 N8 Ni4 O44 | C 1 c 1 | 27.5303; 19.6477; 13.7534 90; 115.261; 90 | 6727.9 | Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M. An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B, 2017, 73, 413-418 |
| 2108099 | CIF HKL | C14 H12 N2 Ni O11 | P 1 21/c 1 | 13.6716; 10.0554; 13.7813 90; 115.185; 90 | 1714.46 | Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M. An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B, 2017, 73, 413-418 |
| 2108100 | CIF HKL Paper | C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94 | P -1 | 13.6173; 14.3205; 15.4896 77.4902; 71.7418; 76.5041 | 2755.4 | Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting Acta Crystallographica Section B, 2017, 73, 296-303 |
| 2108101 | CIF Paper | C27 H32 O14 P4 | C 1 2/c 1 | 29.093; 7.2893; 18.672 90; 127.61; 90 | 3136.8 | Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting Acta Crystallographica Section B, 2017, 73, 296-303 |
| 2108102 | CIF HKL Paper | C12 H46 I12 N6 O5 Sb2 | P 1 2/c 1 | 16.205; 8.7361; 16.4295 90; 92.216; 90 | 2324.16 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
| 2108103 | CIF HKL Paper | C12 H46 I12 N6 O5 Sb2 | P 1 2/c 1 | 16.0632; 8.6414; 16.3102 90; 91.994; 90 | 2262.6 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
| 2108104 | CIF HKL Paper | C4 H20 I8 N2 O4 Sb2 | P 1 21/c 1 | 7.4437; 13.0949; 13.7941 90; 95.161; 90 | 1339.12 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
| 2108105 | CIF HKL Paper | C4 H20 I8 N2 O4 Sb2 | P 1 21/c 1 | 7.31459; 12.9482; 13.8097 90; 94.56; 90 | 1303.79 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
| 2108106 | CIF HKL Paper | C4 H12 I4 N2 | P -1 | 6.5154; 7.4946; 8.1299 64.759; 68.019; 69.5 | 324.27 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
| 2108107 | CIF HKL Paper | C4 H12 I4 N2 | P -1 | 6.4948; 7.4032; 8.0819 64.087; 67.276; 69.593 | 314.73 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
| 2108108 | CIF HKL Paper | C30 H48 N6 O11 | P -1 | 8.363; 9.394; 21.648 78.362; 88.664; 83.547 | 1655.2 | Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains Acta Crystallographica Section B, 2017, 73, 399-412 |
| 2108109 | CIF HKL | C30 H46 N6 O10 | P 1 21/n 1 | 9.0367; 10.6221; 18.022 90; 102.661; 90 | 1687.8 | Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains Acta Crystallographica Section B, 2017, 73, 399-412 |
| 2108110 | CIF | C30 H48 N6 O11 | P -1 | 8.3488; 9.356; 21.546 78.286; 88.61; 83.572 | 1637.6 | Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains Acta Crystallographica Section B, 2017, 73, 399-412 |
| 2108111 | CIF | C30 H46 N6 O10 | P 1 21/n 1 | 9.02833; 10.6182; 18.0158 90; 102.62; 90 | 1685.35 | Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains Acta Crystallographica Section B, 2017, 73, 399-412 |
| 2108112 | CIF | C30 H48 N6 O11 | P -1 | 8.3412; 9.356; 21.5561 78.318; 88.636; 83.546 | 1636.96 | Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains Acta Crystallographica Section B, 2017, 73, 399-412 |
| 2108113 | CIF | C30 H46 N6 O10 | P 1 21/n 1 | 9.0297; 10.6234; 18.0121 90; 102.595; 90 | 1686.25 | Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains Acta Crystallographica Section B, 2017, 73, 399-412 |
| 2108114 | CIF HKL Paper | Cu0.966 Pb13.196 S24 Sb6.804 | P n m a | 24.0549; 4.1291; 11.3361 90; 90; 90 | 1126 | Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~ Acta Crystallographica Section B, 2017, 73, 369-376 |
| 2108115 | CIF HKL Paper | C24 H29 F4 I N2 O | P -1 | 7.4374; 10.2935; 16.536 105.237; 101.641; 95.607 | 1181 | Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study Acta Crystallographica Section B, 2017, 73, 227-233 |
| 2108116 | CIF HKL | C24 H29 F4 I N2 O | P 1 21/c 1 | 8.5802; 33.663; 8.752 90; 109.255; 90 | 2386.5 | Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study Acta Crystallographica Section B, 2017, 73, 227-233 |
| 2108117 | CIF HKL Paper | C3 H14 N2 O4 S2 | P 21 21 21 | 8.4086; 9.787; 11.0477 90; 90; 90 | 909.17 | Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B, 2017, 73, 507-518 |
| 2108118 | CIF HKL Paper | C3 H14 N2 O4 S2 | P 21 21 21 | 8.3714; 9.7607; 10.9874 90; 90; 90 | 897.79 | Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B, 2017, 73, 507-518 |
| 2108119 | CIF HKL Paper | C3 H14 N2 O4 S2 | P 1 21/n 1 | 15.4097; 8.0868; 15.4133 90; 108.249; 90 | 1824.1 | Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B, 2017, 73, 507-518 |
| 2108120 | CIF HKL Paper | C4 H14 N2 O3 S2 | P -1 | 6.0538; 8.5273; 9.3869 73.623; 82.681; 84.207 | 460.05 | Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B, 2017, 73, 507-518 |
| 2108121 | CIF HKL Paper | C5 H16 N2 O3.5 S2 | P 43 21 2 | 11.7872; 11.7872; 16.2851 90; 90; 90 | 2262.6 | Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B, 2017, 73, 507-518 |
| 2108122 | CIF HKL Paper | C6 H18 N2 O3 S2 | P -1 | 10.4922; 11.1455; 11.7015 62.299; 74.938; 74.082 | 1150.9 | Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B, 2017, 73, 507-518 |
| 2108123 | CIF HKL Paper | C42 H18 F12 I6 N2 S2 | P -1 | 5.9807; 14.139; 14.2774 68.516; 81.348; 86.09 | 1110.53 | Wang, Hui; Jin, Wei Jun Cocrystal assembled by 1,4-diiodotetrafluorobenzene and phenothiazine based on C—I···π/N/S halogen bond and other assisting interactions Acta Crystallographica Section B, 2017, 73, 210-216 |
| 2108124 | CIF HKL Paper | C10 H8 O8 Zn | C 1 2/c 1 | 15.3546; 5.8885; 11.9905 90; 100.762; 90 | 1065.06 | Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid Acta Crystallographica Section B, 2017, 73, 715-721 |
| 2108125 | CIF HKL | C26 H22 N2 O14 Zn2 | P b c a | 16.1578; 16.5129; 21.4877 90; 90; 90 | 5733.2 | Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid Acta Crystallographica Section B, 2017, 73, 715-721 |
| 2108126 | CIF HKL | C18 H24 Cd N2 O9 | P 1 21/c 1 | 10.9131; 11.3385; 17.4385 90; 94.215; 90 | 2151.97 | Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid Acta Crystallographica Section B, 2017, 73, 715-721 |
| 2108127 | CIF HKL | C10 H16 Co N0 O12 | P -1 | 5.5872; 6.6969; 10.5753 77.217; 74.884; 70.434 | 356.02 | Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid Acta Crystallographica Section B, 2017, 73, 715-721 |
| 2108128 | CIF HKL Paper | C12 H29 Br2 Ca O15 | C 1 2 1 | 16.1449; 7.8881; 11.4702 90; 128.842; 90 | 1137.75 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal–organic frameworks: a theoretical and an experimental study Acta Crystallographica Section B, 2017, 73, 737-743 |
| 2108129 | CIF HKL | C12 H29 Br2 O15 Sr | C 1 2 1 | 16.439; 8.024; 11.1931 90; 128.142; 90 | 1161.2 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal–organic frameworks: a theoretical and an experimental study Acta Crystallographica Section B, 2017, 73, 737-743 |
| 2108130 | CIF HKL Paper | C7 H6 O2 S | P 1 21/c 1 | 7.84809; 5.89857; 14.6898 90; 100.338; 90 | 668.99 | Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid Acta Crystallographica Section B, 2017, 73, 626-633 |
| 2108131 | CIF HKL | C7 H6 O2 S | P 1 21/n 1 | 4.7811; 5.7441; 25.353 90; 94.49; 90 | 694.1 | Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid Acta Crystallographica Section B, 2017, 73, 626-633 |
| 2108132 | CIF HKL | C7 H6 O2 S | P -1 | 3.863; 6.0337; 14.4721 91.302; 93.062; 92.925 | 336.29 | Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid Acta Crystallographica Section B, 2017, 73, 626-633 |
| 2108133 | CIF HKL Paper | C18 H12 N6 Ni S4 | P -1 | 7.446; 8.8942; 9.2799 114.992; 94.904; 108.68 | 509.94 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108134 | CIF HKL | C13 H6 N5 Ni S4 | P 1 21/c 1 | 16.1805; 6.3567; 17.0872 90; 116.837; 90 | 1568.2 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108135 | CIF HKL | C18 H12 Cu N6 S4 | P -1 | 7.5458; 9.0111; 9.2574 115.334; 95.223; 108.563 | 520.01 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108136 | CIF HKL | C13 H6 Cu N5 S4 | P 1 21/c 1 | 17.418; 6.1838; 18.165 90; 126.93; 90 | 1564 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108137 | CIF HKL | C18 H12 N6 Ni S4 | P -1 | 7.4307; 8.9072; 9.2445 115.167; 94.727; 108.525 | 507.94 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108138 | CIF HKL | C13 H6 N5 Ni S4 | P 1 21/c 1 | 16.0654; 6.3464; 17.0333 90; 116.606; 90 | 1552.77 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108139 | CIF HKL Paper | C13 H15 Co N2 O7 | P 1 21/c 1 | 12.655; 7.6693; 15.934 90; 106.636; 90 | 1481.7 | Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction Acta Crystallographica Section B, 2017, 73, 669-674 |
| 2108140 | CIF HKL | C15 H17 Co N2 O6 | P 1 21/c 1 | 12.899; 7.638; 16.085 90; 108.337; 90 | 1504 | Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction Acta Crystallographica Section B, 2017, 73, 669-674 |
| 2108141 | CIF HKL | C15 H15 Co N2 O5 | P 1 21/c 1 | 12.631; 7.5996; 16.109 90; 109.223; 90 | 1460.1 | Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction Acta Crystallographica Section B, 2017, 73, 669-674 |
| 2108142 | CIF Paper | Al2 Mg3 O12 Si3 | I a -3 d | 11.4405; 11.4405; 11.4405 90; 90; 90 | 1497.39 | Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other Acta Crystallographica Section B, 2017, 73, 722-736 |
| 2108143 | CIF HKL Paper | C28 H38 N4 O4 S2 | P 1 21/a 1 | 9.34; 19.482; 8.634 90; 115.13; 90 | 1422.35 | Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical Acta Crystallographica Section B, 2017, 73, 544-549 |
| 2108144 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.8423; 12.2033; 9.1817 90; 92.78; 90 | 989.59 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108145 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.7168; 11.8642; 8.8601 90; 92.569; 90 | 915.37 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108146 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.6563; 11.7038; 8.714 90; 92.652; 90 | 881.88 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108147 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.5923; 11.5463; 8.584 90; 92.826; 90 | 850.58 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108148 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.5652; 11.4704; 8.5109 90; 92.95; 90 | 835.06 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108149 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.6187; 11.5861; 8.6105 90; 92.788; 90 | 858.8 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108150 | CIF Paper | C9 H12 K N2 O9 P | P 21 21 21 | 8.063; 10.4358; 16.0092 90; 90; 90 | 1347.08 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108151 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.0754; 10.387; 16 90; 90; 90 | 1342.1 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108152 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.0778; 10.4023; 16.0137 90; 90; 90 | 1345.59 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108153 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.067; 10.4871; 16.0561 90; 90; 90 | 1358.34 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108154 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.0835; 10.5221; 16.0738 90; 90; 90 | 1367.16 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108155 | CIF | C13 H9 N O5 | P 21 21 21 | 5.6052; 8.5753; 22.881 90; 90; 90 | 1099.8 | Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Kumar, Binay X-ray, dielectric, piezoelectric and optical analyses of a new nonlinear optical 8-hydroxyquinolinium hydrogen squarate crystal Acta Crystallographica Section B, 2018, 74, 12-23 |
| 2108156 | CIF HKL Paper | Cu3 H4 O8 Te | C m c m | 2.93172; 11.8414; 8.6047 90; 90; 90 | 298.72 | Missen, O. P.; Mills, S. J.; Welch, M. D.; Spratt, J.; Rumsey, M. S.; Birch, W. D.; Brugger, J. The crystal structure of cesbronite, Cu~3~TeO~4~(OH)~4~: a novel sheet tellurate topology Acta Crystallographica Section B, 2018, 74, 24-31 |
| 2108157 | CIF HKL | K Mn2 O10 V3 | P -1 | 6.912; 6.993; 9.656 101.858; 102.627; 100.669 | 432.6 | Yakubovich, Olga; Shvanskaya, Larisa; Pchelkina, Zlata; Dimitrova, Olga; Volkov, Anatoliy; Volkova, Olga; Vasiliev, Alexander A novel representative in the rare family of trivanadates, KMn~2~V~3~O~10~: synthesis, crystal structure and magnetic properties Acta Crystallographica Section B, 2018, 74, 97-103 |
| 2108158 | CIF | H3 O4 P | P 1 21/c 1 | 5.707; 4.82; 11.436 90; 94.75; 90 | 313.5 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108159 | CIF | H3 O4 P | P 21 21 21 | 4.619; 8.479; 14.38 90; 90; 90 | 563.2 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108160 | CIF | D3 O4 P | P 1 21/c 1 | 5.7493; 4.83921; 11.617 90; 95.15; 90 | 321.9 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108161 | CIF | D3 O4 P | P 1 21/c 1 | 5.6927; 4.81609; 11.4468 90; 94.704; 90 | 312.77 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108162 | CIF | D3 O4 P | P 1 21/c 1 | 5.6334; 4.78996; 11.3055 90; 94.255; 90 | 304.22 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108163 | CIF | D3 O4 P | P 1 21/c 1 | 5.5686; 4.7647; 11.1762 90; 93.81; 90 | 295.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108164 | CIF | D3 O4 P | P 1 21/c 1 | 5.5356; 4.7522; 11.1169 90; 93.561; 90 | 291.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108165 | CIF | D3 O4 P | P 1 21/c 1 | 5.5049; 4.7401; 11.0668 90; 93.355; 90 | 288.28 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108166 | CIF | D3 O4 P | P 1 21/c 1 | 5.4357; 4.7148; 10.9698 90; 92.874; 90 | 280.78 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108167 | CIF | D3 O4 P | P 1 21/c 1 | 5.403; 4.7036; 10.9238 90; 92.633; 90 | 277.32 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108168 | CIF | D3 O4 P | P 1 21/c 1 | 5.7466; 4.8378; 11.6028 90; 95.107; 90 | 321.29 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108169 | CIF | D3 O4 P | P 21 21 21 | 4.6648; 8.6057; 14.5932 90; 90; 90 | 585.83 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108170 | CIF | D3 O4 P | P 21 21 21 | 4.6494; 8.558; 14.5078 90; 90; 90 | 577.26 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108171 | CIF | D3 O4 P | P 21 21 21 | 4.6332; 8.5169; 14.4323 90; 90; 90 | 569.51 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108172 | CIF | D3 O4 P | P 21 21 21 | 4.6206; 8.481; 14.388 90; 90; 90 | 563.83 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108173 | CIF | D3 O4 P | P 21 21 21 | 4.6022; 8.4597; 14.3291 90; 90; 90 | 557.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108174 | CIF | D3 O4 P | P 21 21 21 | 4.598; 8.4429; 14.3036 90; 90; 90 | 555.27 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108175 | CIF | D3 O4 P | P 21 21 21 | 4.5932; 8.4323; 14.2795 90; 90; 90 | 553.06 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108176 | CIF | D3 O4 P | P 21 21 21 | 4.5868; 8.4232; 14.2653 90; 90; 90 | 551.15 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108177 | CIF | D3 O4 P | P 21 21 21 | 4.5831; 8.411; 14.2424 90; 90; 90 | 549.02 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108178 | CIF | D3 O4 P | P 21 21 21 | 4.5791; 8.4031; 14.2214 90; 90; 90 | 547.22 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108179 | CIF | D3 O4 P | P 21 21 21 | 4.5689; 8.3733; 14.1755 90; 90; 90 | 542.31 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108180 | CIF | D3 O4 P | P 21 21 21 | 4.5639; 8.3606; 14.1535 90; 90; 90 | 540.05 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108181 | CIF | D3 O4 P | P 21 21 21 | 4.5599; 8.3496; 14.1332 90; 90; 90 | 538.1 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108182 | CIF | D3 O4 P | P 21 21 21 | 4.5549; 8.3362; 14.1067 90; 90; 90 | 535.64 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108183 | CIF | D3 O4 P | P 21 21 21 | 4.5456; 8.3104; 14.0631 90; 90; 90 | 531.24 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108184 | CIF | D3 O4 P | P 21 21 21 | 4.5338; 8.2726; 13.9867 90; 90; 90 | 524.59 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108185 | CIF | D3 O4 P | P 21 21 21 | 4.5214; 8.2332; 13.9189 90; 90; 90 | 518.14 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108186 | CIF | D3 O4 P | P 21 21 21 | 4.5121; 8.2009; 13.8569 90; 90; 90 | 512.75 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108187 | CIF HKL | C10 H11 N O2 | C 1 2/c 1 | 11.0366; 13.2899; 6.3763 90; 99.548; 90 | 922.29 | Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione Acta Crystallographica Section B, 2017, 73, 1172-1178 |
| 2108188 | CIF HKL | C10 H11 N O2 | P -1 | 6.2755; 8.6368; 8.657 101.482; 96.2307; 96.0785 | 453.17 | Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione Acta Crystallographica Section B, 2017, 73, 1172-1178 |
| 2108189 | CIF HKL Paper | C4 H14 Cl4 Ir K O3 S2 | P 1 21/c 1 | 12.1963; 7.4652; 16.4793 90; 96.055; 90 | 1492.03 | Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia Conformational and structural diversity of iridium dimethyl sulfoxide complexes Acta Crystallographica Section B, 2017, 73, 1032-1042 |
| 2108190 | CIF HKL | C4 H12.5 Cl4 Ir K O2.25 S2 | P 1 21/c 1 | 12.753; 7.8356; 15.3277 90; 111.581; 90 | 1424.29 | Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia Conformational and structural diversity of iridium dimethyl sulfoxide complexes Acta Crystallographica Section B, 2017, 73, 1032-1042 |
| 2108191 | CIF HKL | C8 H25 Cl4 Ir N O2.5 S2 | C 1 2/c 1 | 19.821; 10.083; 19.572 90; 108.657; 90 | 3706.01 | Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia Conformational and structural diversity of iridium dimethyl sulfoxide complexes Acta Crystallographica Section B, 2017, 73, 1032-1042 |
| 2108192 | CIF HKL | C4 H12 Cl4 Ir K O2 S2 | P 1 21/n 1 | 8.9902; 15.199; 10.7569 90; 91.425; 90 | 1469.4 | Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia Conformational and structural diversity of iridium dimethyl sulfoxide complexes Acta Crystallographica Section B, 2017, 73, 1032-1042 |
| 2108193 | CIF HKL Paper | C6 H13 N O2 | C 1 2/c 1 | 31.231; 4.7296; 9.8739 90; 91.719; 90 | 1457.82 | Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U. On the stacking disorder of <small>DL</small>-norleucine Acta Crystallographica Section B, 2017, 73, 1075-1084 |
| 2108194 | CIF HKL | H7.84 K1.29 N1.71 O8 S2 | R -3 :H | 5.7768; 5.7768; 22.0983 90; 90; 120 | 638.65 | Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A. New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase Acta Crystallographica Section B, 2017, 73, 1105-1113 |
| 2108195 | CIF HKL | C15 H19 N2 O2.5 S | P 31 | 8.4102; 8.4102; 36.562 90; 90; 120 | 2239.61 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108196 | CIF HKL | C15 H18 N2 O2 S | P 21 21 21 | 6.2287; 8.9737; 25.9694 90; 90; 90 | 1451.55 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108197 | CIF HKL | C15 H18 N2 O2 S | P 1 21 1 | 7.3126; 27.1077; 7.3745 90; 106.064; 90 | 1404.75 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108198 | CIF HKL | C15 H18 N2 O2 S | P 1 21 1 | 9.8928; 9.0312; 16.447 90; 97.8246; 90 | 1455.76 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108199 | CIF HKL | C15 H18 N2 O2 S | P 1 | 7.4536; 7.4603; 13.6011 79.6877; 89.2981; 69.3688 | 695.31 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108200 | CIF HKL | C15 H18 N2 O2 S | P 21 21 21 | 9.8689; 10.6838; 13.6421 90; 90; 90 | 1438.39 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108201 | CIF HKL | C14 H16 N2 O2 S | P 43 21 2 | 7.743; 7.743; 43.5343 90; 90; 90 | 2610.06 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108202 | CIF HKL | C14 H16 N2 O2 S | P 21 21 21 | 10.0987; 11.0883; 12.0825 90; 90; 90 | 1352.97 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108203 | CIF HKL | C14 H16 N2 O2 S | P 21 21 21 | 7.7112; 11.6576; 14.8171 90; 90; 90 | 1332 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108204 | CIF HKL | C14 H16 N2 O2 S | P 21 21 21 | 13.4996; 14.5841; 20.5461 90; 90; 90 | 4045.1 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2108205 | CIF | C4 H4 O4 | P b c a | 5.1174; 7.3666; 11.7174 90; 90; 90 | 441.72 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108206 | CIF | C4 H4 O4 | P b c a | 4.9209; 7.1818; 11.5243 90; 90; 90 | 407.28 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108207 | CIF | C4 H4 O4 | P b c a | 4.8571; 7.1033; 11.4462 90; 90; 90 | 394.91 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108208 | CIF | C4 H4 O4 | P b c a | 4.7757; 6.993; 11.3384 90; 90; 90 | 378.66 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108209 | CIF | C4 H4 O4 | P b c a | 4.7321; 6.9298; 11.2798 90; 90; 90 | 369.89 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
| 2108210 | CIF HKL | C18 H16 Cl N3 O2 | P b c a | 9.507; 7.9958; 43.262 90; 90; 90 | 3288.6 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108211 | CIF HKL | C49 H54 N6 O13 | P -1 | 9.304; 15.756; 15.829 94.54; 93.95; 104.56 | 2229.4 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108212 | CIF | C40 H36 N6 O8 | P 1 21/c 1 | 10.145; 18.472; 9.421 90; 91.423; 90 | 1764.9 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108213 | CIF HKL | C44 H44 N6 O8 | P -1 | 7.889; 9.157; 14.832 86.153; 83.38; 69.517 | 996.6 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108214 | CIF HKL | C48 H52 N6 O8 | P 1 21/c 1 | 7.5496; 16.434; 17.094 90; 93.547; 90 | 2116.8 | Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B, 2018, 74, 42-48 |
| 2108215 | CIF HKL | Al16 F4.77 Mn24 O91.23 Si20.61 | I 41/a c d :2 | 11.6446; 11.6446; 11.6548 90; 90; 90 | 1580.35 | Antao, Sytle M.; Cruickshank, Laura A. Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets Acta Crystallographica Section B, 2018, 74, 104-114 |
| 2108216 | CIF HKL | Al0.48 Ca24 H32 Mn15.52 O96 Si16.19 | I 41/a c d :2 | 12.4908; 12.4908; 11.9092 90; 90; 90 | 1858.07 | Antao, Sytle M.; Cruickshank, Laura A. Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets Acta Crystallographica Section B, 2018, 74, 104-114 |
| 2108217 | CIF HKL | B4 Bi0.056 Fe3 O12 Y0.944 | P 31 2 1 | 9.5161; 9.5161; 7.5441 90; 90; 120 | 591.638 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108218 | CIF HKL | B4 Bi0.053 Fe3 O12 Y0.947 | P 31 2 1 | 9.5191; 9.5191; 7.5517 90; 90; 120 | 592.607 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108219 | CIF HKL | B4 Bi0.054 Fe3 O12 Y0.946 | P 31 2 1 | 9.5261; 9.5261; 7.5589 90; 90; 120 | 594.045 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108220 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | P 31 2 1 | 9.5194; 9.5194; 7.5552 90; 90; 120 | 592.92 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108221 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | P 31 2 1 | 9.5259; 9.5259; 7.5624 90; 90; 120 | 594.295 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108222 | CIF HKL | B4 Bi0.053 Fe3 O12 Y0.947 | P 31 2 1 | 9.5245; 9.5245; 7.557 90; 90; 120 | 593.696 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108223 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | R 3 2 :H | 9.5272; 9.5272; 7.5618 90; 90; 120 | 594.41 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108224 | CIF HKL | B4 Bi0.051 Fe3 O12 Y0.949 | R 3 2 :H | 9.5265; 9.5265; 7.5561 90; 90; 120 | 593.875 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108225 | CIF HKL | B4 Bi0.053 Fe3 O12 Y0.947 | R 3 2 :H | 9.5321; 9.5321; 7.5627 90; 90; 120 | 595.093 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108226 | CIF HKL | B4 Bi0.054 Fe3 O12 Y0.946 | R 3 2 :H | 9.5394; 9.5394; 7.5765 90; 90; 120 | 597.092 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108227 | CIF HKL | B4 Bi0.05 Fe3 O12 Y0.95 | P 31 2 1 | 9.5131; 9.5131; 7.5396 90; 90; 120 | 590.912 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108228 | CIF HKL | B4 Bi0.058 Fe3 O12 Y0.942 | P 31 2 1 | 9.5217; 9.5217; 7.5547 90; 90; 120 | 593.167 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108229 | CIF HKL | B4 Bi0.047 Fe3 O12 Y0.953 | R 3 2 :H | 9.5282; 9.5282; 7.5609 90; 90; 120 | 594.464 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108230 | CIF HKL | B4 Bi0.042 Fe3 O12 Y0.958 | R 3 2 :H | 9.5254; 9.5254; 7.5674 90; 90; 120 | 594.626 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B, 2018, 74 |
| 2108231 | CIF HKL Paper | C2 H2 O8 Pb3 | R -3 m :H | 5.2475; 5.2475; 23.6795 90; 90; 120 | 564.69 | Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica Section B, 2018, 74 |
| 2108232 | CIF HKL | C0.67 H0.67 O2.67 Pb | R -3 m :H | 5.257; 5.257; 23.636 90; 90; 120 | 565.7 | Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica Section B, 2018, 74 |
| 2108233 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108234 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108235 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108236 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108237 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108238 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108239 | CIF HKL Paper | Al1.67 Ca0.67 Na0.33 O8 Si2.33 | I -1 | 8.1618; 12.8632; 14.1898 93.5211; 116.117; 90.5754 | 1333.97 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108240 | CIF HKL Paper | Al1.66 Ca0.66 Na0.34 O8 Si2.34 | I -1 | 8.1635; 12.8615; 14.1936 93.5104; 116.124; 90.5297 | 1334.41 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108241 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1652; 12.8633; 14.1832 93.4685; 116.073; 90.73 | 1334.35 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108242 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.1662; 12.868; 14.1927 93.4772; 116.143; 90.6664 | 1335.14 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108243 | CIF HKL Paper | Al1.75 Ca0.75 Na0.25 O8 Si2.25 | I -1 | 8.172; 12.8675; 14.189 93.4437; 116.073; 90.649 | 1336.58 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108244 | CIF HKL Paper | Al1.6 Ca0.6 Na0.4 O8 Si2.4 | I -1 | 8.1602; 12.8612; 14.1975 93.5348; 116.118; 90.4334 | 1334.33 | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B, 2018, 74 |
| 2108245 | CIF HKL | B4 Er6 O15 | P 1 21/n 1 | 8.3553; 15.4882; 8.8208 90; 91.899; 90 | 1140.86 | Wang, Yan; Zhang, Wei; Li, Ziyi; Li, Jianfu; Zhu, Zhaojie; You, Zhenyu; Tu, Chaoyang Crystal growth, structure and characterization of Er~6~B~4~O~15~ as self-activated eye-safe laser material within the near-infrared waveband Acta Crystallographica Section B, 2018, 74 |
| 2108246 | CIF HKL Paper | K2 O12 Si5 Zn | I a -3 d | 13.3772; 13.3772; 13.3772 90; 90; 90 | 2393.84 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108247 | CIF HKL Paper | Mn O12 Rb2 Si5 | I a -3 d | 13.5635; 13.5635; 13.5635 90; 90; 90 | 2495.26 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108248 | CIF HKL Paper | Fe K2 O12 Si5 | P 1 21/c 1 | 13.2574; 13.6739; 12.924 90; 93.048; 90 | 2339.55 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108249 | CIF HKL Paper | K2 O12 Si5 Zn | P 1 21/c 1 | 13.1773; 13.6106; 13.02481 90; 91.6981; 90 | 2334.99 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108250 | CIF HKL Paper | Co K2 O12 Si5 | P 1 21/c 1 | 13.18783; 13.63495; 12.98764 90; 91.9994; 90 | 2333.96 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108251 | CIF HKL Paper | Co K2 O12 Si5 | I a -3 d | 13.3767; 13.3767; 13.3767 90; 90; 90 | 2393.57 | Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B, 2018, 74 |
| 2108252 | CIF HKL | Bi2 O6 W | P c a 21 | 5.4345; 16.4324; 5.4558 90; 90; 90 | 487.21 | Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure Acta Crystallographica Section B, 2018, 74, 295-303 |
| 2108253 | CIF HKL | C13 H25 N3 O3 | P 21 21 21 | 5.341; 13.536; 21.406 90; 90; 90 | 1547.6 | Görbitz, Carl Henrik Hydrophobic dipeptides: the final piece in the puzzle Acta Crystallographica Section B, 2018, 74, 311-318 |
| 2108254 | CIF | C33 H36 N6 | P 21 21 21 | 54.631; 8.004; 6.5754 90; 90; 90 | 2875.2 | Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction Acta Crystallographica Section B, 2018, 74, 287-294 |
| 2108255 | CIF HKL | C21 H29 N O4 S | P 1 21/c 1 | 8.7198; 20.996; 10.9186 90; 94.357; 90 | 1993.2 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate Acta Crystallographica Section B, 2018, 74, 304-310 |
| 2108256 | CIF HKL | C21 H31 N O5 S | P 1 21/n 1 | 8.2086; 17.9355; 15.0983 90; 94.77; 90 | 2215.15 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate Acta Crystallographica Section B, 2018, 74, 304-310 |
| 2108257 | CIF HKL | C14 H15 Fe N2 O7 | P -1 | 8.6448; 9.026; 10.773 93.169; 100.097; 99.996 | 811.8 | Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B, 2018, 74 |
| 2108258 | CIF HKL | C48 H40 Fe4 N4 O24 | P -4 21 c | 13.2415; 13.2415; 14.9977 90; 90; 90 | 2629.7 | Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B, 2018, 74 |
| 2108259 | CIF HKL | C48 H40 Fe4 N4 O24 | P -1 | 14.5961; 14.7434; 15.214 112.713; 106.08; 105.946 | 2619.1 | Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B, 2018, 74 |
| 2108260 | CIF HKL | Cu0.184 F3 H8 Mg0.816 O12 U3 | C 1 m 1 | 7.1015; 11.7489; 8.1954 90; 98.087; 90 | 676.98 | Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine Acta Crystallographica Section B, 2018, 74 |
| 2108261 | CIF HKL | C12 H13 N | P 21 21 21 | 6.1147; 7.9668; 19.4856 90; 90; 90 | 949.23 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108262 | CIF HKL | C13 H14 Br N | P 1 21/c 1 | 8.7856; 11.6453; 10.6401 90; 90.47; 90 | 1088.56 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108263 | CIF HKL | C13 H14 Br N | P b c n | 23.769; 11.2921; 8.2022 90; 90; 90 | 2201.5 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108264 | CIF HKL | C13 H14 Br N | P 1 21/c 1 | 9.54; 6.2063; 18.8852 90; 98.474; 90 | 1105.95 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108265 | CIF HKL | C13 H14 Cl N | P 1 21/c 1 | 8.6883; 11.7901; 10.3129 90; 90.892; 90 | 1056.3 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108266 | CIF HKL | C13 H14 Cl N | P 1 21/c 1 | 12.1278; 8.1084; 11.2668 90; 108.995; 90 | 1047.61 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108267 | CIF HKL | C13 H14 Cl N | P 1 21/n 1 | 9.8035; 22.7092; 9.9786 90; 101.405; 90 | 2177.7 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108268 | CIF HKL | C13 H14 F N | P b c n | 11.9582; 9.106; 18.7079 90; 90; 90 | 2037.1 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108269 | CIF HKL | C13 H14 F N | P 1 21/n 1 | 9.8202; 22.0098; 9.8725 90; 101.926; 90 | 2087.8 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108270 | CIF HKL | C12 H12 Br N | P b c a | 10.1791; 8.7625; 22.946 90; 90; 90 | 2046.7 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108271 | CIF HKL | C12 H12 Br N | C 1 2/c 1 | 24.4539; 6.168; 16.2352 90; 124.277; 90 | 2023.5 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108272 | CIF HKL | C12 H12 Cl N | P b c a | 10.8001; 8.8083; 21.0408 90; 90; 90 | 2001.6 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108273 | CIF HKL | C12 H12 Cl N | P 1 21 1 | 5.7132; 8.1116; 10.878 90; 96.698; 90 | 500.68 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108274 | CIF HKL | C12 H12 Cl N | C 1 2/c 1 | 24.4577; 6.0867; 16.309 90; 125.8; 90 | 1969.2 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108275 | CIF HKL | C12 H12 F N | C 1 2/c 1 | 17.4633; 11.1118; 9.6718 90; 91.282; 90 | 1876.33 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108276 | CIF HKL | C12 H12 F N | P 21 21 21 | 6.1937; 7.4492; 19.92 90; 90; 90 | 919.07 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108277 | CIF HKL | C12 H12 F N | P 21 21 21 | 6.0226; 7.8459; 20.1968 90; 90; 90 | 954.35 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108278 | CIF HKL | C12 H12 F N | P 1 21/n 1 | 10.5411; 8.1081; 21.98 90; 98.61; 90 | 1857.4 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
| 2108279 | CIF HKL Paper | C13 H11 N15 O18 | P b c a | 9.6268; 19.292; 24.606 90; 90; 90 | 4569.8 | Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu High-density HNIW/TNT cocrystal synthesized using a green chemical method Acta Crystallographica Section B, 2018, 74 |
| 2108280 | CIF HKL | C10 H8 | P 1 21/a 1 | 7.7154; 5.9019; 7.6969 90; 100.411; 90 | 344.712 | Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A. Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder Acta Crystallographica Section B, 2018, 74 |
| 2108281 | CIF HKL | C18 H24 Au Fe P | P b c a | 13.8822; 11.6188; 22.115 90; 90; 90 | 3567 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108282 | CIF HKL | C18 H24 Au Fe P | P b c a | 13.8732; 11.6316; 22.124 90; 90; 90 | 3570.1 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108283 | CIF HKL | C18 H24 Au Fe P | P b 21 a | 13.872; 11.644; 21.96 90; 90; 90 | 3547 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108284 | CIF HKL | C18 H24 Au Fe P | P b c a | 14.0011; 11.6244; 21.893 90; 90; 90 | 3563.2 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
| 2108285 | CIF HKL Paper | C14 H8 F3 O | P 1 21/c 1 | 23.238; 7.5293; 6.2437 90; 92.83; 90 | 1091.1 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
| 2108286 | CIF HKL Paper | C14 H8 F3 O | P 1 21/c 1 | 11.505; 6.235; 16.0118 90; 109.293; 90 | 1084.08 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
| 2108287 | CIF HKL Paper | C28 H16 F6 O2 | P 1 21/c 1 | 20.5435; 6.2569; 35.797 90; 106.649; 90 | 4408.4 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
| 2108288 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.8682; 14.9766; 13.4758 90; 90.378; 90 | 780.67 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108289 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.79937; 14.8635; 13.3272 90; 89.674; 90 | 752.6 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108290 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.83433; 23.9377; 17.2355 90; 94.293; 90 | 1577.52 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108291 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.76927; 23.6053; 17.174 90; 94.902; 90 | 1522.46 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
| 2108292 | CIF HKL | C12 H24 Ca O15 | P 21 21 21 | 6.71198; 13.3641; 19.5439 90; 90; 90 | 1753.08 | Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B, 2018, 74 |
| 2108293 | CIF HKL | C12 H22 Ca O12 | P 21 21 2 | 6.7573; 19.5874; 5.7344 90; 90; 90 | 758.99 | Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B, 2018, 74 |
| 2108294 | CIF | C13 H11 N3 O2 | P 1 21/c 1 | 8.4553; 10.1812; 13.408 90; 98.646; 90 | 1141.1 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108295 | CIF | C13 H13 N3 O3 | P b c a | 7.0488; 12.15; 28.649 90; 90; 90 | 2453.6 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108296 | CIF Paper | C13 H10 I N3 O | P -1 | 10.0223; 11.1984; 12.4505 109.836; 101.25; 97.494 | 1259.58 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108297 | CIF | C15 H11 I N4 | I 41 | 15.0197; 15.0197; 12.8791 90; 90; 90 | 2905.41 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108298 | CIF | C15 H11 Br N4 | P 1 21/c 1 | 14.8761; 4.0269; 23.183 90; 105.81; 90 | 1336.23 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108299 | CIF | C16 H14 Cl2 N4 O | P 1 21/c 1 | 9.51859; 15.70955; 21.6869 90; 98.0651; 90 | 3210.83 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108300 | CIF | C13 H10 Br N3 O | P 1 21/c 1 | 18.763; 6.5126; 10.1237 90; 95.458; 90 | 1231.5 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
| 2108301 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 4.7568; 19.9611; 13.4063 90; 98.457; 90 | 1259.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108302 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/n 1 | 4.808; 9.7371; 27.708 90; 91.735; 90 | 1296.6 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108303 | CIF HKL Paper | C14 H9 Cl F3 N O | P -1 | 4.8189; 9.4501; 14.0283 96.048; 93.4; 93.414 | 632.77 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108304 | CIF HKL Paper | C14 H9 Cl F3 N O | P c a 21 | 7.7658; 19.1333; 8.8369 90; 90; 90 | 1313.03 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108305 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 25.6147; 5.3354; 9.3918 90; 96.775; 90 | 1274.56 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108306 | CIF HKL Paper | C14 H9 Cl F3 N O | P -1 | 5.1563; 10.7617; 11.9075 99.948; 91.911; 102.379 | 633.98 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108307 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 9.445; 15.275; 18.954 90; 97.374; 90 | 2711.9 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108308 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 12.8325; 10.3856; 9.7379 90; 93.059; 90 | 1295.95 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108309 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 16.952; 5.2521; 28.76 90; 94.966; 90 | 2551 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108310 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/n 1 | 4.7992; 10.0208; 27.428 90; 91.755; 90 | 1318.44 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108311 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/n 1 | 4.8056; 27.8678; 9.8421 90; 94.227; 90 | 1314.48 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108312 | CIF HKL Paper | C14 H9 Br F3 N O | P c a 21 | 7.8062; 19.3; 8.8433 90; 90; 90 | 1332.33 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108313 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21 1 | 4.8588; 4.9939; 26.0286 90; 91.448; 90 | 631.37 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108314 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/c 1 | 13.018; 10.488; 9.7309 90; 94.432; 90 | 1324.6 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108315 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/c 1 | 16.9434; 5.2417; 29.141 90; 94.775; 90 | 2579.09 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108316 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 20.7974; 6.5752; 9.6889 90; 93.899; 90 | 1321.86 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108317 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 11.0022; 4.7359; 26.562 90; 97.636; 90 | 1371.7 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108318 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 20.584; 7.1797; 9.1451 90; 97.122; 90 | 1341.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108319 | CIF HKL Paper | C14 H9 F3 I N O | P c a 21 | 7.9499; 19.6384; 8.8397 90; 90; 90 | 1380.08 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108320 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 26.9793; 5.2899; 9.5068 90; 95.747; 90 | 1349.97 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108321 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21 1 | 4.9085; 4.9644; 26.7593 90; 92.549; 90 | 651.42 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108322 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 13.292; 10.708; 9.762 90; 96.305; 90 | 1381 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108323 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 14.7689; 5.2518; 17.2537 90; 93.217; 90 | 1336.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
| 2108324 | CIF HKL | C24 H22 Cl N9 O5 S | P -1 | 7.522; 8.11; 20.892 92.574; 98.836; 103.844 | 1218.3 | Peng, Bo; Wang, Jian-Rong; Mei, Xuefeng Triamterene–furosemide salt: structural aspects and physicochemical evaluation Acta Crystallographica Section B, 2018, 74 |
| 2108325 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.9978; 3.9978; 3.9978 90; 90; 90 | 63.894 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108326 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0406; 4.0406; 4.0406 90; 90; 90 | 65.969 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108327 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0581; 4.0581; 4.0581 90; 90; 90 | 66.83 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108328 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0763; 4.0763; 4.0763 90; 90; 90 | 67.733 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108329 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.997; 3.997; 3.997 90; 90; 90 | 63.86 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
| 2108330 | CIF | C8 H16 Cu2 O10 | C 1 2/c 1 | 13.08438; 8.50319; 14.05022 90; 119.309; 90 | 1363.12 | Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B, 2018, 74 |
| 2108331 | CIF | C8 H16 Cr2 O10 | C 1 2/c 1 | 13.10149; 8.56324; 14.14837 90; 119.121; 90 | 1386.68 | Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B, 2018, 74 |
| 2108332 | CIF HKL | H0 Na2 O14 Si4 V | P 1 21 1 | 14.3328; 9.1209; 10.3732 90; 90.007; 90 | 1356.07 | Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B, 2018, 74, 483-491 |
| 2108333 | CIF | H0 Na2 O14 Si4 V | P 1 21 1 | 14.364; 9.134; 10.373 90; 90.056; 90 | 1360.9 | Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B, 2018, 74, 483-491 |
| 2108334 | CIF | H0 Na2 O11 Si4 V | P 1 21 1 | 12.584; 9.525; 9.696 90; 90.1; 90 | 1162 | Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B, 2018, 74, 483-491 |
| 2108335 | CIF HKL | C14 H12 N2 O2 | P b c a | 14.5448; 6.5214; 23.8246 90; 90; 90 | 2259.82 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108336 | CIF HKL | C13 H9 Br N2 O | P 1 21/c 1 | 12.8423; 7.0971; 12.6239 90; 107.188; 90 | 1099.19 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108337 | CIF HKL | C22 H20 B2 N2 O4 | P 1 21 1 | 10.7147; 34.282; 10.9168 90; 93.176; 90 | 4003.8 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108338 | CIF HKL | C43 H38 B4 N4 O9 | C 1 2/c 1 | 21.8035; 10.4647; 19.3032 90; 111.794; 90 | 4089.6 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108339 | CIF HKL | C19 H13 B2 Br N2 O3 | P -1 | 8.9492; 14.5926; 15.0762 66.778; 82.477; 86.204 | 1793.5 | Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B, 2018, 74, 725-737 |
| 2108340 | CIF HKL Paper | Br2 Cu O6 Pb2 Se2 | P 1 21/n 1 | 6.9097; 5.5036; 24.8544 90; 93.808; 90 | 943.08 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108341 | CIF HKL | Br6 Cu O12 Pb6 Se4 | P 1 21/c 1 | 11.154; 12.95; 19.834 90; 123.74; 90 | 2382 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108342 | CIF HKL | Br0.67 Cu0.67 O2 Pb0.33 Se0.67 | C m c m | 8.275; 9.303; 11.891 90; 90; 90 | 915.4 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108343 | CIF HKL | Br Cu2 O6 Pb0.5 Se2 | C 1 2/c 1 | 19.434; 8.542; 9.039 90; 100.684; 90 | 1474.5 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108344 | CIF HKL | Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5 | C 1 2/m 1 | 19.502; 5.2408; 16.469 90; 102.769; 90 | 1641.6 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108345 | CIF HKL | Br1.75 Cu2.5 O4 Pb0.5 Se | C 1 2/m 1 | 19.049; 6.226; 12.726 90; 109.843; 90 | 1419.7 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108346 | CIF HKL | Br1.17 Cu1.92 O3 Pb0.25 Se0.75 | C 1 2/m 1 | 19.146; 6.2686; 17.296 90; 99.27; 90 | 2048.7 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108347 | CIF HKL | Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33 | C 1 2/m 1 | 38.0763; 6.2308; 11.1897 90; 94.955; 90 | 2644.8 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108348 | CIF HKL | Br22.16 Cu28 O64 Pb17.06 Se16 | C m m m | 23.943; 20.268; 6.313 90; 90; 90 | 3064 | Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B, 2018, 74, 712-724 |
| 2108349 | CIF HKL | C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6 | R -3 m :H | 7.1255; 7.1255; 66.2902 90; 90; 120 | 2914.81 | Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica Section B, 2018, 74, 492-501 |
| 2108350 | CIF HKL Paper | F7 H12 N3 Ti | P a -3 | 11.78316; 11.78316; 11.78316 90; 90; 90 | 1636.01 | Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M. Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931 |
| 2108351 | CIF Paper | C4 H12 Al N | P 1 21/c 1 | 7.40203; 12.96634; 7.28776 90; 90.6602; 90 | 699.41 | Bernert, Thomas; Ley, Morten Brix; Ruiz-Fuertes, Javier; Fischer, Michael; Felderhoff, Michael; Weidenthaler, Claudia Title (type here to add) Acta Crystallographica, Section B, 2016, 72, 232-240 |
| 2108352 | CIF HKL Paper | Ca5 Cl0.9 F0.1 O12 P3 | P 63/m | 9.502; 9.502; 6.8356 90; 90; 120 | 534.5 | Christoph, Staehli; Thuering, Juerg; Galea, Laetitia; Tadier, Solene; Bohner, Marc; Doebelin, Nicola Hydrogen-substituted beta-tricalcium phosphate synthesized in organic media Acta Crystallographica, Section B, 2016, 72, 875-884 |
| 2108353 | CIF | C38 H42 N8 Se6 | P -1 | 9.797; 10.56; 10.656 87.528; 69.844; 87.528 | 1033.5 | Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs Acta Crystallographica Section B, 2019, 75, 34-38 |
| 2108354 | CIF | C36 H34 N6 O2 Se6 | P -1 | 10.008; 10.4345; 10.76 93.538; 117.528; 95.282 | 985.3 | Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs Acta Crystallographica Section B, 2019, 75, 34-38 |
| 2108355 | CIF | C36 H34 N8 O4 Se6 | P -1 | 10.187; 10.415; 11.232 75.891; 82.213; 61.753 | 1017.8 | Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs Acta Crystallographica Section B, 2019, 75, 34-38 |
| 2108356 | CIF HKL | Al72 Au2.5 Ir29.5 | I 41/a c d | 8.6339; 8.6339; 21.8874 90; 90; 90 | 1631.58 | Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Fournée, Vincent; Ledieu, Julian A new ternary compound with the BGa~8~Ir~4~ structure type in the Al‒Au‒Ir system Acta Crystallographica Section B, 2019, 75, 49-52 |
| 2108357 | CIF | C6 H3 Cu F N4 O2 | P 21 21 21 | 6.6235; 9.4208; 12.5188 90; 90; 90 | 781.16 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108358 | CIF HKL | C26 H20 Cu3 F4 N10 O10 | P 1 21/n 1 | 10.441; 8.058; 19.542 90; 95.92; 90 | 1635.4 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108359 | CIF HKL | C28 H24 Cu3 F4 N10 O10 | P 1 21/n 1 | 10.3405; 8.6279; 19.594 90; 98.153; 90 | 1730.4 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108360 | CIF HKL | C38 H24 Cu5 F6 N18 O14 | P -1 | 7.2091; 12.3296; 13.5573 99.68; 101.459; 90.199 | 1163.4 | Ming, Mei; Shi, Jun Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols Acta Crystallographica Section B, 2019, 75 |
| 2108361 | CIF HKL | C16 H22 N10 O10 | P -1 | 6.7486; 10.5419; 15.658 81.293; 79.732; 79.974 | 1071.02 | Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna M. A proposal for coherent nomenclature of multicomponent crystals Acta Crystallographica Section B, 2019, 75 |
| 2108362 | CIF HKL | C17 H10 N2 | P 1 21/c 1 | 4.064; 16.58; 17.57 90; 91.53; 90 | 1183 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108363 | CIF HKL | C17 H10 N2 | P c c n | 4.1239; 16.404; 17.252 90; 90; 90 | 1167.1 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108364 | CIF HKL | C17 H10 N2 | P c a 21 | 7.394; 10.953; 29.06 90; 90; 90 | 2353 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108365 | CIF HKL | C17 H10 N2 | P 1 21/a 1 | 8.2204; 10.898; 26.905 90; 98.691; 90 | 2382.6 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108366 | CIF HKL | C16 H9 N3 | P m n 21 | 19.316; 3.7013; 7.7676 90; 90; 90 | 555.3 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108367 | CIF HKL | C16 H9 N3 | P 1 21/c 1 | 4.0049; 16.518; 17.179 90; 90.007; 90 | 1136.4 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108368 | CIF HKL | C16 H9 N3 | P c c n | 4.0741; 16.416; 17.23 90; 90; 90 | 1152.3 | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry Acta Crystallographica Section B, 2019, 75, 97-106 |
| 2108369 | CIF HKL | H4 N2 O3 W | P 32 2 1 | 5.79842; 5.79842; 9.2341 90; 90; 120 | 268.871 | Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F. Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping Acta Crystallographica Section B, 2019, 75 |
| 2108370 | CIF HKL Paper | C10 H17 N O6 | C 1 2 1 | 21.2256; 5.67647; 32.0621 90; 100.17; 90 | 3802.35 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108371 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.2633; 5.67322; 32.053 90; 100.076; 90 | 3807 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108372 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.33; 5.67423; 32.0776 90; 99.937; 90 | 3824.15 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108373 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.3889; 5.67352; 32.0754 90; 99.818; 90 | 3835.4 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108374 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.4563; 5.67251; 32.0779 90; 99.653; 90 | 3849 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108375 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.5229; 5.6692; 32.0754 90; 99.486; 90 | 3860.2 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108376 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.6021; 5.6701; 32.0856 90; 99.299; 90 | 3878.4 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108377 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.6777; 5.665; 32.0878 90; 99.115; 90 | 3890.8 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108378 | CIF HKL | C10 H17 N O6 | C 1 2 1 | 21.7528; 5.6663; 32.0956 90; 98.955; 90 | 3907.8 | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures Acta Crystallographica Section B, 2019, 75 |
| 2108379 | CIF HKL Paper | Al84 Cu26 Li40 Mg12 | I m -3 | 13.8451; 13.8451; 13.8451 90; 90; 90 | 2653.92 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ehrenberg, Helmut Li~20~Mg~6~Cu~13~Al~42~: a new ordered quaternary superstructure to the icosahedral <i>T</i>-Mg~32~(Zn,Al)~49~ phase with fullerene-like Al~60~ cluster Acta Crystallographica Section B, 2019, 75 |
| 2108380 | CIF HKL | C14 H24 Cl N O | P 1 21 1 | 7.1062; 11.5821; 17.3894 90; 94.9978; 90 | 1425.79 | Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R. Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride Acta Crystallographica Section B, 2019, 75 |
| 2108381 | CIF HKL | C14 H24 Cl N O | P 1 21 1 | 7.135; 11.6402; 17.4546 90; 94.7791; 90 | 1444.61 | Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R. Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride Acta Crystallographica Section B, 2019, 75 |
| 2108382 | CIF HKL | C14 H24 Cl N O | P 21 21 21 | 7.0653; 11.8351; 17.6593 90; 90; 90 | 1476.64 | Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R. Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride Acta Crystallographica Section B, 2019, 75 |
| 2108383 | CIF HKL | C15 H12 O9.5 | C 1 2 1 | 23.2416; 5.2305; 25.4061 90; 102.634; 90 | 3013.7 | Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B. Taxifolin tubes: crystal engineering and characteristics Acta Crystallographica Section B, 2019, 75 |
| 2108384 | CIF Paper | C40 H50 N2 O12 | P 1 21/c 1 | 12.078; 30.555; 10.2038 90; 107.272; 90 | 3595.8 | Shishkina, Svitlana V.; Isaiev, Ivan A.; Urzhuntseva, Viktoriya V.; Palchykov, Vitalii A. The formation of the salt and neutral molecule cocrystal from equimolar solution of heliamine and bicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,3-dicarboxylic acid Acta Crystallographica Section B, 2019, 75 |
| 2108385 | CIF HKL | C26 H26 N4 O4 | C 1 2 1 | 23.479; 8.602; 16.899 90; 129.963; 90 | 2615.9 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108386 | CIF HKL | C30 H34 N4 O6 | C 1 2 1 | 22.9673; 8.8676; 16.7749 90; 118.613; 90 | 2999.2 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid–ammonium heterodimer and N~(ammonium)~–H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108387 | CIF HKL | C28 H29 N5 O4 | P 21 21 21 | 11.77; 14.079; 16.502 90; 90; 90 | 2735 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid–ammonium heterodimer and N~(ammonium)~–H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108388 | CIF HKL | C26 H26 N4 O4 | P 65 2 2 | 13.854; 13.854; 27.167 90; 90; 120 | 4515.7 | Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine Acta Crystallographica Section B, 2019, 75 |
| 2108389 | CIF HKL | C12 H24 I2 O12 Sr | P 1 21 1 | 7.8592; 12.9355; 9.9504 90; 92.803; 90 | 1010.37 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties Acta Crystallographica Section B, 2019, 75 |
| 2108390 | CIF HKL | C36 H86 I8 O43 Sr4 | P 21 21 21 | 12.3717; 17.4352; 17.6607 90; 90; 90 | 3809.47 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal–organic frameworks with nonlinear optical properties Acta Crystallographica Section B, 2019, 75 |
| 2108391 | CIF HKL | C6 H18 I2 O9 Sr | P 21 21 21 | 9.1192; 13.0908; 13.5504 90; 90; 90 | 1617.61 | Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties Acta Crystallographica Section B, 2019, 75 |
| 2108392 | CIF | Ge Te | P n m a | 7.369; 3.9249; 5.698 90; 90; 90 | 164.8 | Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment Acta Crystallographica Section B, 2019, 75 |
| 2108393 | CIF HKL | C7 H11 F Ge3.84 N2 O24 Si8.16 | I m m a | 14.9725; 5.2733; 17.0318 90; 90; 90 | 1344.7 | Wang, Xiaoge; Shen, Yihan; Liu, Rongli; Liu, Xiaolong; Lin, Cong; Shi, Dier; Chen, Yanping; Liao, Fuhui; Lin, Jianhua; Sun, Junliang Elucidation of correlated disorder in zeolite IM-18 Acta Crystallographica Section B, 2019, 75 |
| 2108394 | CIF HKL | C17 H10 O | P -1 | 6.92715; 8.3336; 10.4706 109.898; 98.979; 100.773 | 542.32 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108395 | CIF HKL | C17 H10 O | P -1 | 6.7049; 8.1989; 10.329 109.691; 99.378; 100.628 | 509.66 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108396 | CIF HKL | C17 H10 O | P -1 | 6.695; 8.1846; 10.306 109.649; 99.384; 100.652 | 506.97 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108397 | CIF HKL | C17 H10 O | P -1 | 6.6139; 8.1151; 10.272 109.439; 99.563; 100.637 | 495.3 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108398 | CIF HKL | C17 H10 O | P -1 | 6.6007; 8.1331; 10.232 109.52; 99.88; 100.617 | 492.5 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108399 | CIF HKL | C17 H10 O | P -1 | 6.477; 8.041; 10.205 109.37; 99.57; 100.71 | 477.6 | Tchoń, Daniel; Makal, Anna Structure and piezochromism of pyrene-1-carbaldehyde at high pressure Acta Crystallographica Section B, 2019, 75 |
| 2108400 | CIF HKL | C26 H12 N4 O2 | P 1 21/c 1 | 13.119; 4.777; 27.3921 90; 95.8533; 90 | 1707.7 | Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties Acta Crystallographica Section B, 2019, 75 |
| 2108401 | CIF HKL | C26 H12 N4 O2 | P 1 21/c 1 | 16.971; 7.3707; 14.0809 90; 94.09; 90 | 1756.9 | Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties Acta Crystallographica Section B, 2019, 75 |
| 2108402 | CIF HKL | C24 H22 Cl2 N2 O2 | I 1 2/a 1 | 18.1075; 14.16642; 18.5436 90; 117.163; 90 | 4232.16 | So, Hee-Soo; Matsumoto, Shinya Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione Acta Crystallographica Section B, 2019, 75 |
| 2108403 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108404 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108405 | CIF | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108406 | CIF HKL | C26 H19 P S | P -1 | 10.227; 12.324; 17.353 101.55; 91.23; 112.04 | 1975 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108407 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108408 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108409 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108410 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108411 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108412 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108413 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108414 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108415 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108416 | CIF HKL | C52 H44 P2 S2 | P 1 21/n 1 | 10.7687; 14.7934; 13.4133 90; 103.813; 90 | 2075.02 | Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar Comparison of different strategies for modelling hydrogen atoms in charge density analyses Acta Crystallographica Section B, 2019, 75 |
| 2108417 | CIF HKL | C6 H16 N2 O6 | P 1 21/c 1 | 10.1517; 11.96; 8.9955 90; 114.322; 90 | 995.25 | Gomathi, V.; Theivarasu, C. Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts Acta Crystallographica Section B, 2019, 75, 449-458 |
| 2108418 | CIF HKL | C10 H14 N2 O5 | P 1 21/n 1 | 8.3828; 23.9943; 17.2844 90; 98.635; 90 | 3437.2 | Gomathi, V.; Theivarasu, C. Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts Acta Crystallographica Section B, 2019, 75, 449-458 |
| 2108419 | CIF HKL | C10 H22 N4 O8 | P 1 21/n 1 | 5.1027; 16.024; 8.7273 90; 94.459; 90 | 711.43 | Gomathi, V.; Theivarasu, C. Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts Acta Crystallographica Section B, 2019, 75, 449-458 |
| 2108420 | CIF HKL | C18 H16 Cl2 Co N4 | P c a 21 | 14.8764; 8.9742; 26.8271 90; 90; 90 | 3581.5 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108421 | CIF HKL | C18 H16 Co I2 N4 | C 1 2/c 1 | 7.5817; 18.625; 14.2346 90; 100.448; 90 | 1976.7 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108422 | CIF HKL | C18 H16 Co N6 O6 | P 1 21/c 1 | 9.4982; 14.9627; 14.5081 90; 107.938; 90 | 1961.6 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108423 | CIF HKL | C20 H16 Co N6 S2 | I 1 2/a 1 | 17.5108; 13.8088; 18.915 90; 114.745; 90 | 4153.7 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108424 | CIF HKL | C38 H37 Co I2 N9 O | P n n 2 | 11.355; 12.68; 13.4516 90; 90; 90 | 1936.8 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108425 | CIF HKL | C38 H37 Co N11 O7 | P n n 2 | 11.3655; 12.5153; 13.6247 90; 90; 90 | 1938.01 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108426 | CIF HKL | C40 H40 Co N10 O2 S2 | P -1 | 8.6822; 9.457; 13.6578 103.023; 95.901; 107.217 | 1026.15 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108427 | CIF HKL | C20 H16 Co N6 S2 | C 1 2/c 1 | 24.4747; 5.5932; 14.8644 90; 94.172; 90 | 2029.4 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
| 2108428 | CIF | C149 N30 O78 S6 | P 21 21 21 | 18.5453; 30.1766; 39.798 90; 90; 90 | 22272 | Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene Revisiting the structure of a synthetic somatostatin analogue for peptide drug design Acta Crystallographica Section B, 2019, 75 |
| 2108429 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 2/c 1 | 13.4747; 12.9393; 7.7611 90; 123.733; 90 | 1125.34 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108430 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 2/c 1 | 13.3923; 12.815; 7.8256 90; 123.735; 90 | 1116.9 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108431 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 c 1 | 13.33; 12.69; 7.87 90; 123.8; 90 | 1106 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108432 | CIF HKL | C5 H7 Cl4 N2 Sb | C 1 c 1 | 13.3; 12.66; 7.89 90; 123.8; 90 | 1104 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108433 | CIF HKL | C5 H7 Cl4 N2 Sb | P 1 21/n 1 | 13.208; 12.526; 7.9251 90; 123.914; 90 | 1088.1 | Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B, 2018, 74, 217-225 |
| 2108434 | CIF HKL | C2 H6 N4 S | P -1 | 6.9149; 7.0012; 12.3713 90.881; 104.312; 101.783 | 566.74 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108435 | CIF HKL | C10 H16 N18 S | P -1 | 9.8299; 9.8507; 10.2105 64.634; 78.716; 87.703 | 875.04 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108436 | CIF HKL | C6 H9.67 N11 | P 1 21/c 1 | 3.534; 28.13; 10.698 90; 97.025; 90 | 1055.5 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108437 | CIF HKL | C6 H8 N10 | P 1 21/c 1 | 6.032; 7.796; 10.531 90; 105.9; 90 | 476.28 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108438 | CIF HKL | C7 H15 N13 O S | P -1 | 11.1348; 12.1287; 13.1868 63.474; 71.339; 63.549 | 1410.2 | Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN Acta Crystallographica Section B, 2019, 75 |
| 2108439 | CIF Paper | Mn13 Na3.98 O26 | C 1 2/m 1 | 22.5199; 2.83987; 14.8815 90; 105.092; 90 | 918.9 | Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel (Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction. Acta Crystallographica, Section B, 2016, 72, 893-903 |
| 2108440 | CIF Paper | Mn13 Na3.94 O26 | C 1 2/m 1 | 22.6338; 2.8255; 14.9075 90; 104.599; 90 | 922.58 | Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel (Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction. Acta Crystallographica, Section B, 2016, 72, 893-903 |
| 2108441 | CIF HKL Paper | C31 H26 Cl2 N4 O4 | P 1 21/c 1 | 7.47882; 26.0041; 14.78241 90; 102.507; 90 | 2806.66 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108442 | CIF HKL Paper | C31 H28 Cl2 N4 O4 | P -1 | 10.6376; 12.2781; 12.7975 90.079; 113.211; 108.284 | 1443.58 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108443 | CIF HKL Paper | C36.79 H31.18 Cl2 N6.39 O3 S | P -1 | 7.997; 13.5824; 16.6638 80.214; 80.034; 83.036 | 1748.86 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108444 | CIF HKL Paper | C34 H27 Cl2 N5 O3 S | P -1 | 8.2115; 13.5327; 14.325 89.04; 88.864; 83.781 | 1582 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108445 | CIF HKL Paper | C35 H32 Cl2 N4 O5 | P -1 | 9.4861; 12.5322; 15.3641 98.415; 103.379; 110.45 | 1612.41 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108446 | CIF HKL Paper | C35 H28 Cl2 N4 O4 | P -1 | 11.799; 12.0736; 14.6803 72.472; 80.688; 72.03 | 1891.44 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108447 | CIF HKL Paper | C35 H28 Cl2 N4 O4 | P -1 | 10.4028; 10.8454; 15.4229 71.183; 73.984; 76.148 | 1561.33 | Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing Acta Crystallographica Section B, 2019, 75 |
| 2108448 | CIF HKL | C24 H16 | P 1 21/n 1 | 9.8367; 17.1456; 9.8764 90; 93.73; 90 | 1662.19 | Williams, Alice E.; Thompson, Amber L.; Watkin, David J. The role of multiple observations in small-molecule single-crystal service X-ray structure determination Acta Crystallographica Section B, 2019, 75 |
| 2108449 | CIF HKL Paper | B9 Ba6 Lu5 O27 | C 1 2/c 1 | 13.0927; 9.997; 20.4884 90; 106.827; 90 | 2566.86 | Filatov, Stanislav K.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Shablinskii, Andrey P. The novel borate Lu~5~Ba~6~B~9~O~27~ with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion Acta Crystallographica Section B, 2019, 75 |
| 2108450 | CIF | O2 Zr | P 1 21/c 1 | 5.1473; 5.20878; 5.31657 90; 99.2056; 90 | 140.708 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108451 | CIF | O2 Zr | P 1 21/c 1 | 5.14204; 5.20869; 5.30989 90; 99.1726; 90 | 140.398 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108452 | CIF | O2 Zr | P 1 21/c 1 | 5.12418; 5.20803; 5.28293 90; 99.048; 90 | 139.231 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108453 | CIF | O2 Zr | P 1 21/c 1 | 5.10541; 5.20827; 5.25387 90; 98.868; 90 | 138.032 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108454 | CIF | O2 Zr | P 1 21/c 1 | 5.09098; 5.2093; 5.23197 90; 98.706; 90 | 137.155 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108455 | CIF | O2 Zr | P 1 21/c 1 | 5.07006; 5.2095; 5.1975 90; 98.441; 90 | 135.792 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108456 | CIF | O2 Zr | P 1 21/c 1 | 5.059; 5.2097; 5.1763 90; 98.276; 90 | 135.005 | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations Acta Crystallographica Section B, 2019, 75 |
| 2108457 | CIF HKL | As2 Hg Pb S5 | P n m a | 21.246; 4.2897; 9.5257 90; 90; 90 | 868.2 | Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H. Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula Acta Crystallographica Section B, 2019, 75 |
| 2108458 | CIF HKL | As2 Hg Pb S5 | P n m a | 21.246; 4.2897; 9.5257 90; 90; 90 | 868.2 | Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H. Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula Acta Crystallographica Section B, 2019, 75 |
| 2108459 | CIF HKL | C9 H9 N O3 | P 21 21 21 | 8.6793; 9.0674; 10.6085 90; 90; 90 | 834.87 | Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin Acta Crystallographica Section B, 2019, 75 |
| 2108460 | CIF HKL | C9 H9 N O3 | P 21 21 21 | 8.6793; 9.0674; 10.6085 90; 90; 90 | 834.87 | Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin Acta Crystallographica Section B, 2019, 75 |
| 2108461 | CIF HKL | C9 H9 N O3 | P 21 21 21 | 8.6793; 9.0674; 10.6085 90; 90; 90 | 834.87 | Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin Acta Crystallographica Section B, 2019, 75 |
| 2108462 | CIF HKL | C8 H9 N O3 | P 1 21/c 1 | 6.3704; 16.6534; 7.5759 90; 93.9516; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108463 | CIF HKL | C8 H9 N O3 | P 1 21/c 1 | 6.3704; 16.6534; 7.5759 90; 93.9516; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108464 | CIF HKL | C8 H9 N O3 | P 1 21/c 1 | 6.3704; 16.6534; 7.5759 90; 93.9516; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108465 | CIF HKL | C8 H9 N O3 | P -1 | 7.3634; 17.5614; 19.3782 68.688; 83.981; 87.9 | 2321.6 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108466 | CIF | C8 H9 N O3 | P 1 21/a 1 | 14.3673; 16.6534; 6.3704 90; 148.261; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108467 | CIF | C8 H9 N O3 | P 1 21/a 1 | 14.3673; 16.6534; 6.3704 90; 148.261; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108468 | CIF | C8 H9 N O3 | P 1 21/a 1 | 14.3673; 16.6534; 6.3704 90; 148.261; 90 | 801.81 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108469 | CIF | C8 H9 N O3 | P -1 | 42.55; 21.687; 19.9952 130.368; 170.4; 48.973 | 2321 | Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime Acta Crystallographica Section B, 2019, 75 |
| 2108470 | CIF HKL | C15 H12 N2 O | P 1 21/n 1 | 7.534; 11.15; 13.917 90; 92.94; 90 | 1167.55 | Kolb, Ute; Krysiak, Yaşar; Plana-Ruiz, Sergi Automated electron diffraction tomography ‒ development and applications Acta Crystallographica Section B, 2019, 75, 463-474 |
| 2108471 | CIF HKL | C22 H24 N2 O7 S | P 1 21 1 | 8.71353; 29.496; 17.6717 90; 97.937; 90 | 4498.37 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108472 | CIF HKL | C25 H28 N2 O8.5 S | P 41 21 2 | 12.89179; 12.89179; 29.5087 90; 90; 90 | 4904.29 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108473 | CIF HKL | C25 H27 N3 O7.5 S | P 41 21 2 | 12.81222; 12.81222; 29.7274 90; 90; 90 | 4879.84 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108474 | CIF HKL | C23.5 H25 N3 O7.5 S | P 41 21 2 | 12.85808; 12.85808; 29.5715 90; 90; 90 | 4889.06 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108475 | CIF HKL | C25 H28 N2 O8.5 S | P 41 21 2 | 12.88747; 12.88747; 29.5246 90; 90; 90 | 4903.65 | Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J. Understanding the formation of apremilast cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108476 | CIF | C16 H10 N2 | P n a 21 | 24.316; 3.9011; 25.297 90; 90; 90 | 2399.7 | Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π–π interactions Acta Crystallographica Section B, 2019, 75 |
| 2108477 | CIF | C18 H15 N O2 | P -1 | 7.7437; 12.8797; 16.2007 108.298; 102.962; 94.992 | 1473.21 | Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π–π interactions Acta Crystallographica Section B, 2019, 75 |
| 2108478 | CIF | C19 H16 O4 | P b c a | 9.221; 9.847; 34.947 90; 90; 90 | 3173.2 | Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π–π interactions Acta Crystallographica Section B, 2019, 75 |
| 2108479 | CIF HKL | C26 H20 Cl N3 O | P -1 | 10.5741; 13.5798; 16.6564 107.731; 98.269; 106.98 | 2106.51 | Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng Solvatochromism and mechanochromism observed in a triphenylamine derivative Acta Crystallographica Section B, 2019, 75 |
| 2108480 | CIF HKL | C26 H20 Cl N3 O | P 1 21/c 1 | 15.6975; 23.7324; 12.0002 90; 102.451; 90 | 4365.4 | Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng Solvatochromism and mechanochromism observed in a triphenylamine derivative Acta Crystallographica Section B, 2019, 75 |
| 2108481 | CIF HKL | C26 H20 Eu N3 O7 S | P 1 21/c 1 | 13.9849; 13.1957; 15.1425 90; 109.763; 90 | 2629.8 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108482 | CIF HKL | C67 H58 Er4 N6 O30 S2 | C 1 2/c 1 | 39.336; 8.638; 25.594 90; 124.837; 90 | 7137.9 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108483 | CIF HKL | C67 H58 N6 O30 S2 Yb4 | C 1 2/c 1 | 39.474; 8.6567; 25.67 90; 124.895; 90 | 7195 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108484 | CIF HKL | C58 H36 N6 O15 S2 Tb2 | P 1 21/c 1 | 11.0175; 16.994; 14.608 90; 106.227; 90 | 2626.1 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108485 | CIF HKL | C58 H36 N6 O15 S2 Yb2 | P 1 21/c 1 | 11.0067; 16.9842; 14.5971 90; 106.203; 90 | 2620.4 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108486 | CIF HKL | C29 H18 Eu N3 O7 S | P 1 21/n 1 | 9.1596; 13.4942; 20.727 90; 98.039; 90 | 2536.7 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108487 | CIF HKL | C29 H18 N3 O7 S Tb | P 1 21/n 1 | 9.119; 13.463; 20.674 90; 97.756; 90 | 2514.9 | Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission Acta Crystallographica Section B, 2019, 75 |
| 2108488 | CIF HKL | C12 H14 N2 O5 | P -1 | 7.1402; 7.5689; 11.9955 98.844; 102.693; 100.077 | 610.09 | Zong, Shuyi; Wang, Jingkang; Wu, Hao; Liu, Qi; Hao, Yunhui; Huang, Xin; Wu, Dehui; Zhou, Guanchen; Hao, Hongxun Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of <i>p</i>-nitrobenzoic acid Acta Crystallographica Section B, 2019, 75 |
| 2108489 | CIF HKL Paper | Ca Cu6 O18 P4 Rb2 | C 1 2 1 | 16.8913; 5.6406; 8.3591 90; 93.919; 90 | 794.57 | Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N. Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates Acta Crystallographica Section B, 2019, 75 |
| 2108490 | CIF HKL | C16 H12 N2 O2 | P -1 | 4.8281; 8.5805; 15.436 96.79; 95.002; 91.404 | 632.18 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108491 | CIF HKL | C17 H14 N2 O2 | P -1 | 4.8956; 9.6425; 14.958 103.662; 94.58; 98.382 | 673.98 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108492 | CIF HKL | C16 H11 F N2 O2 | P -1 | 4.6371; 8.957; 15.788 99.88; 96.61; 93.21 | 639.8 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108493 | CIF HKL | C16 H11 F N2 O2 | P 1 21/c 1 | 4.6995; 30.579; 8.853 90; 92.7; 90 | 1270.8 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108494 | CIF HKL | C16 H11 Cl N2 O2 | P 1 21/c 1 | 4.3746; 30.823; 9.855 90; 93.225; 90 | 1326.7 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108495 | CIF HKL | C16 H11 Br N2 O2 | P 1 21/c 1 | 4.1661; 31.0277; 10.4434 90; 92.933; 90 | 1348.19 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108496 | CIF HKL | C16 H11 Br N2 O2 | P 1 21/c 1 | 6.9397; 10.2611; 20.7644 90; 96.919; 90 | 1467.84 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108497 | CIF HKL | C16 H11 I N2 O2 | P 1 21/c 1 | 6.9395; 10.2583; 20.7605 90; 96.931; 90 | 1467.09 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108498 | CIF HKL | C17 H14 N2 O3 | P 1 21/c 1 | 6.9921; 10.1424; 20.862 90; 99.57; 90 | 1458.9 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D. Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures Acta Crystallographica Section B, 2019, 75 |
| 2108499 | CIF HKL Paper | C16 H22 Cl3 N3 O2 | C 1 2/c 1 | 23.0502; 6.7836; 25.4596 90; 114.262; 90 | 3629.33 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions Acta Crystallographica Section B, 2019, 75 |
| 2108500 | CIF HKL Paper | C16 H24 Cl3 N3 O3 | P 1 21/c 1 | 4.649; 47.213; 8.9051 90; 96.222; 90 | 1943.1 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions Acta Crystallographica Section B, 2019, 75 |
| 2108501 | CIF HKL Paper | C16 H22 Cl3 N3 O2 | P 1 21/c 1 | 4.722; 45.671; 8.798 90; 97.66; 90 | 1880 | Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions Acta Crystallographica Section B, 2019, 75 |
| 2108502 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5177; 9.5177; 7.538 90; 90; 120 | 591.36 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108503 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5245; 9.5245; 7.5481 90; 90; 120 | 592.997 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108504 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5291; 9.5291; 7.5601 90; 90; 120 | 594.514 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108505 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | P 31 2 1 | 9.5301; 9.5301; 7.5615 90; 90; 120 | 594.749 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108506 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5351; 9.5351; 7.5633 90; 90; 120 | 595.515 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108507 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5349; 9.5349; 7.5641 90; 90; 120 | 595.553 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108508 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5359; 9.5359; 7.5659 90; 90; 120 | 595.82 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108509 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5364; 9.5364; 7.5677 90; 90; 120 | 596.02 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108510 | CIF HKL | B4 Bi0.037 Fe3 Ho0.963 O12 | R 3 2 :H | 9.5394; 9.5394; 7.5693 90; 90; 120 | 596.525 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B, 2019, 75 |
| 2108511 | CIF HKL | C6 H9 N3 O3 | P 1 21/c 1 | 6.8785; 8.6396; 12.8573 90; 94.351; 90 | 761.875 | Kalaiarasi, Chinnasamy; Christy, George; Gonnade, Rajesh G.; Hathwar, Venkatesha R.; Kumaradhas, Poomani Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole Acta Crystallographica Section B, 2019, 75 |
| 2108512 | CIF HKL | C21 H23 N O4 | P 21 21 21 | 7.2015; 12.2326; 21.3487 90; 90; 90 | 1880.67 | Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan Agomelatine–hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship Acta Crystallographica Section B, 2019, 75 |
| 2108513 | CIF HKL | C21 H23 N O4 | P 1 21 1 | 7.333; 29.3095; 8.8046 90; 94.748; 90 | 1885.85 | Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan Agomelatine–hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship Acta Crystallographica Section B, 2019, 75 |
| 2108514 | CIF HKL | C18 H12 N6 | I 1 2/a 1 | 21.3047; 3.7345; 35.1825 90; 93.364; 90 | 2794.4 | Yuan, Liangqian; Xing, Mengyao; Pan, Fangfang Polymorphs of 2,4,6-tris(4-pyridyl)-1,3,5-triazine and their mechanical properties Acta Crystallographica Section B, 2019, 75 |
| 2108515 | CIF HKL Paper | C7 H9 Br N2 O2 | P 1 21/m 1 | 8.5689; 6.4113; 8.8248 90; 110.2; 90 | 455 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108516 | CIF HKL | C7 H9 I N2 O2 | P -1 | 6.5954; 8.7764; 8.8564 72.14; 84.002; 81.83 | 481.98 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108517 | CIF HKL | C7 H9 N3 O5 | P 1 21/m 1 | 8.1234; 6.6252; 8.5799 90; 98.712; 90 | 456.44 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108518 | CIF HKL | C7 H9 Cl N2 O2 | P -1 | 7.9756; 7.9803; 28.2986 84.468; 84.229; 89.897 | 1783.61 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108519 | CIF HKL | C7 H10 N2 O6 S | P n a 21 | 12.8927; 4.97471; 31.5518 90; 90; 90 | 2023.65 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108520 | CIF HKL | C7 H10 I3 N2 O2.5 | P 1 21/c 1 | 11.2876; 13.9536; 17.5279 90; 96.808; 90 | 2741.23 | Medviediev, Volodymyr; Daszkiewicz, Marek Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids Acta Crystallographica Section B, 2019, 75 |
| 2108521 | CIF HKL | Cu6 H16 O21 S2 Zn | P 3 | 8.1905; 8.1905; 7.099 90; 90; 120 | 412.43 | Elliott, Peter Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure Acta Crystallographica Section B, 2019, 75 |
| 2108522 | CIF HKL Paper | C24 H40 Cl N5 O7 S | P 1 21/c 1 | 16.638; 12.0355; 15.4979 90; 107.668; 90 | 2957.02 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108523 | CIF HKL | C23 H37 Cl N4 O6 S2 | P -1 | 8.0881; 11.276; 16.2993 98.21; 95.377; 101.106 | 1432.44 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108524 | CIF HKL | C23 H37 Cl N4 O6 S2 | P -1 | 10.4385; 10.7052; 14.2725 90.444; 95.087; 113.92 | 1450.5 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108525 | CIF HKL | C23 H39 Cl N4 O7 S2 | P 1 21/c 1 | 16.508; 11.873; 15.442 90; 103.917; 90 | 2937.8 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108526 | CIF HKL | C50 H82 Cl2 N8 O14 S4 | P -1 | 11.55; 15.6355; 18.5836 93.782; 99.353; 105.965 | 3161.9 | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu Solvates of acotiamide hydrochloride: characterization and phase transformation Acta Crystallographica Section B, 2019, 75 |
| 2108527 | CIF HKL | C40 H36 N2 S5 Si2 | P -1 | 10.0612; 14.6933; 14.3275 72.2555; 71.6334; 87.9619 | 1910.25 | Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A. Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment Acta Crystallographica Section B, 2019, 75 |
| 2108528 | CIF HKL | C40 H36 N2 S5 Si2 | P -1 | 9.805; 14.4191; 14.4368 72.3867; 72.9136; 87.8897 | 1856.5 | Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A. Highly luminescent crystals of a novel linear π-conjugated thiophene–phenylene co-oligomer with a benzothiadiazole fragment Acta Crystallographica Section B, 2019, 75 |
| 2108529 | CIF HKL Paper | C39 H31.4 Cu2 N5 O12.7 S2 | P 1 21/n 1 | 11.1292; 18.8549; 19.3898 90; 99.51; 90 | 4012.8 | Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions Acta Crystallographica Section B, 2019, 75 |
| 2108530 | CIF HKL | C38 H37 Cu2 N5 O14 S2 | P 1 21/c 1 | 11.123; 23.956; 16.026 90; 107.374; 90 | 4075 | Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions Acta Crystallographica Section B, 2019, 75 |
| 2108531 | CIF HKL Paper | Cr2 Fe0.66 Mg0.34 O4 | F d -3 m :2 | 8.321; 8.321; 8.321 90; 90; 90 | 576.1 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108532 | CIF HKL | Cr2 Fe0.66 Mg0.34 O4 | F d -3 m :2 | 8.321; 8.321; 8.321 90; 90; 90 | 576.1 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108533 | CIF HKL | Cr2 Fe0.65 Mg0.35 O4 | F d -3 m :2 | 8.321; 8.321; 8.321 90; 90; 90 | 576.1 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108534 | CIF HKL | Cr2 Fe0.67 Mg0.33 O4 | F d -3 m :2 | 8.321; 8.321; 8.321 90; 90; 90 | 576.1 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108535 | CIF HKL | C33 H54 O Ti Zr | P 1 c 1 | 8.627; 15.358; 23.033 90; 94.45; 90 | 3042.5 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108536 | CIF HKL | C33 H54 O Ti Zr | P 1 c 1 | 8.627; 15.358; 23.033 90; 94.45; 90 | 3042.5 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108537 | CIF HKL | C33 H54 O Ti Zr | P 1 c 1 | 8.627; 15.358; 23.033 90; 94.45; 90 | 3042.5 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108538 | CIF HKL | C33 H54 O Ti Zr | P 1 c 1 | 8.627; 15.358; 23.033 90; 94.45; 90 | 3042.5 | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine Non-merohedral twinning: from minerals to proteins Acta Crystallographica Section D Structural Biology, 2019, 75 |
| 2108539 | CIF HKL | Al9.12 Ca5.98 Fe30.7 Mg5.34 O72 Si0.86 | P -1 | 10.3279; 10.434; 14.3794 93.4888; 107.321; 109.663 | 1370.49 | Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone Acta Crystallographica Section B, 2019, 75 |
| 2108540 | CIF | Al18.241 Ca11.96 Fe61.4 Mg10.68 O144 Si1.72 | P 1 21/n 1 | 10.3277; 27.0134; 10.4344 90; 109.668; 90 | 2741.22 | Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone Acta Crystallographica Section B, 2019, 75 |
| 2108541 | CIF HKL | F7 H12 N5 O Ru Si | P 1 n 1 | 6.7036; 7.426; 10.1296 90; 107.469; 90 | 481 | Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes Acta Crystallographica Section B, 2019, 75 |
| 2108542 | CIF HKL | F6 H12 N3 O Ta | F m -3 m | 9.331; 9.331; 9.331 90; 90; 90 | 812.427 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108543 | CIF HKL | F7.66 H12 N3 O0.17 Ta | R -3 m :H | 8.5414; 8.5414; 41.4381 90; 90; 120 | 2618.11 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108544 | CIF HKL | F7.5 H11 N2.75 O0.125 Ta | P n m a | 11.5018; 8.5736; 33.4597 90; 90; 90 | 3299.52 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108545 | CIF HKL | F7.5 H11 N2.75 O0.125 Ta | P 1 21/c 1 | 35.0618; 8.5377; 22.7987 90; 108.991; 90 | 6453.3 | Udovenko, Anatoly A.; Laptash, Natalia M. Ammonium tantalum oxide fluorides: new features of dynamic disorder Acta Crystallographica Section B, 2019, 75 |
| 2108546 | CIF HKL | F7 H8 N2 Ta | P 4/n m m :2 | 5.8613; 5.8613; 10.5817 90; 90; 90 | 363.53 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108547 | CIF HKL | F7 Rb2 Ta | C m m a | 8.2419; 8.2749; 10.5694 90; 90; 90 | 720.84 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108548 | CIF HKL | F7 Rb2 Ta | P 4/n m m :2 | 5.9118; 5.9118; 10.6173 90; 90; 90 | 371.07 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108549 | CIF HKL | F6 O Rb3 Ta | F m -3 m | 9.1842; 9.1842; 9.1842 90; 90; 90 | 774.68 | Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M. Fluxional seven-coordinated fluorido- and oxofluoridotantalates Acta Crystallographica Section B, 2019, 75 |
| 2108550 | CIF HKL | C5 H15 Fe N2 O12 S2 | C 1 2/c 1 | 12.1601; 17.2511; 6.7758 90; 100.715; 90 | 1396.61 | Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~] Acta Crystallographica Section B, 2019, 75 |
| 2108551 | CIF HKL | C5 H15 Fe N2 O12 S2 | C 1 2/c 1 | 12.175; 17.217; 6.769 90; 100.87; 90 | 1393.4 | Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~] Acta Crystallographica Section B, 2019, 75 |
| 2108552 | CIF HKL | C5 H15 Fe N2 O12 S2 | P -1 | 10.516; 11.873; 13.099 65.34; 77.51; 68.73 | 1381 | Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~] Acta Crystallographica Section B, 2019, 75 |
| 2108553 | CIF HKL Paper | B Cs H2 O8 P2 | I 1 2/a 1 | 13.4002; 7.4869; 14.5329 90; 90.059; 90 | 1458.03 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
| 2108554 | CIF HKL | B Cs0.51 H4.9 Mn1.17 O10.45 P2 | P 61 2 2 | 9.6292; 9.6292; 15.8051 90; 90; 120 | 1269.14 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
| 2108555 | CIF HKL | B Cs H Mn O9 P2 | P 1 21/c 1 | 9.1494; 8.6991; 9.6413 90; 100.141; 90 | 755.38 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
| 2108556 | CIF HKL | C64 H60 N6 O6 | P -1 | 8.0448; 9.9408; 17.371 104.203; 90.628; 91.751 | 1345.9 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108557 | CIF HKL | C38 H32 N4 O3 | P 1 21/c 1 | 8.9669; 36.365; 9.6042 90; 94.898; 90 | 3120.3 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108558 | CIF HKL | C38 H32 N4 O3 | P -1 | 9.718; 12.072; 15.426 72.697; 72.681; 67.465 | 1560.9 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108559 | CIF HKL | C26 H22 N2 O3 | P 1 21/c 1 | 24.4184; 6.5303; 12.7495 90; 90.172; 90 | 2033 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108560 | CIF HKL | C67 H60 N6 O7 | P -1 | 12.215; 15.89; 17.769 114.901; 92.443; 111.284 | 2835.9 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108561 | CIF HKL | C33 H31 N3 O4 | P -1 | 11.765; 11.892; 12.314 95.213; 111.706; 114.134 | 1400 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108562 | CIF HKL | C34 H28 N8 O3 | C 1 2/c 1 | 17.606; 7.969; 42.568 90; 97.006; 90 | 5928 | Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals Acta Crystallographica Section B, 2019, 75 |
| 2108563 | CIF HKL Paper | C18 H14 Cl2 N2 O | P 1 21/c 1 | 11.351; 16.259; 9.589 90; 107.41; 90 | 1688.6 | Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity Acta Crystallographica Section B, 2019, 75 |
| 2108564 | CIF HKL | C18 H14 F2 N2 O | P b c a | 11.984; 9.537; 26.808 90; 90; 90 | 3063.9 | Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity Acta Crystallographica Section B, 2019, 75 |
| 2108565 | CIF HKL | C18 H12 Cl4 N2 O | P -1 | 4.4932; 10.9707; 18.786 76.483; 83.305; 78.976 | 881.25 | Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity Acta Crystallographica Section B, 2019, 75 |
| 2108566 | CIF HKL | C7 H7.75 N Na O4.875 S | P 1 21/n 1 | 18.6212; 28.4622; 29.1642 90; 93.4511; 90 | 15429 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
| 2108567 | CIF HKL | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6212; 7.11555; 29.1642 90; 93.4511; 90 | 3857.25 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
| 2108568 | CIF HKL | C11 H9 N O S | P 1 21/c 1 | 15.0288; 5.3086; 24.444 90; 99.133; 90 | 1925.47 | Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R. The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone Acta Crystallographica Section B, 2020, 76 |
| 2108569 | CIF HKL Paper | Cd41 Ir8 | R -3 :H | 14.896; 14.896; 16.0338 90; 90; 120 | 3081.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108570 | CIF HKL Paper | Cd86.45 Cu7.147 Ir7.318 | F -4 3 m | 19.9445; 19.9445; 19.9445 90; 90; 90 | 7933.6 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108571 | CIF HKL Paper | Cd86.366 Cu7.584 Ir6.698 | F -4 3 m | 19.922; 19.922; 19.922 90; 90; 90 | 7907 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108572 | CIF HKL Paper | Cd81.199 Cu15.659 Ir5.873 | F -4 3 m | 19.785; 19.785; 19.785 90; 90; 90 | 7744.8 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108573 | CIF HKL Paper | Cd81.64 Cu15.796 Ir5.306 | F -4 3 m | 19.8332; 19.8332; 19.8332 90; 90; 90 | 7801.5 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108574 | CIF HKL Paper | Cd80.144 Cu17.218 Ir5.638 | F -4 3 m | 19.7041; 19.7041; 19.7041 90; 90; 90 | 7650.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108575 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.1928; 5.4539; 20.07 90; 91.47; 90 | 896 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108576 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.24; 5.4015; 19.519 90; 91.55; 90 | 868 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108577 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.305; 5.1839; 24.94 90; 96.25; 90 | 810 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108578 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3679; 5.1671; 24.58 90; 96.25; 90 | 804 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108579 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.341; 5.1594; 24.52 90; 96.05; 90 | 798 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108580 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.171; 5.3995; 19.515 90; 92; 90 | 860.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108581 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3608; 5.183; 24.75 90; 96.66; 90 | 810.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108582 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3399; 5.1789; 24.8 90; 96.58; 90 | 809 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
| 2108583 | CIF HKL Paper | C30 H44 N30 O32 V10 | P -1 | 11.3756; 11.5611; 14.0894 73.533; 67.176; 60.845 | 1481.18 | Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan Crystal engineering of an adenine–decavanadate molecular device towards label-free chemical sensing and biological screening Acta Crystallographica Section B, 2020, 76 |
| 2108584 | CIF HKL | C8 H7 N O3 | P 1 21/c 1 | 8.7958; 7.5909; 10.8134 90; 104.722; 90 | 698.29 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108585 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 8.74; 10.989; 9.736 90; 90.75; 90 | 935 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108586 | CIF HKL | C10 H11 N O3 | P -1 | 7.8898; 8.5729; 14.2922 88.333; 89.646; 73.099 | 924.56 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108587 | CIF HKL | C9 H9 N O4 | P 1 21/n 1 | 11.6065; 7.3059; 20.0511 90; 99.977; 90 | 1674.54 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
| 2108588 | CIF HKL | C24 H14 Cu N6 O12 | P 1 21/c 1 | 11.2998; 25.77; 9.3086 90; 111.894; 90 | 2515.1 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
| 2108589 | CIF HKL | C52 H28 Cu2 N12 O24 | P 1 21/c 1 | 11.285; 26.65; 9.4293 90; 111.31; 90 | 2641.9 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
| 2108590 | CIF HKL Paper | C25 H44 Cl N O10 | P 21 21 21 | 16.3296; 16.3759; 31.1186 90; 90; 90 | 8321.5 | Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form Acta Crystallographica Section B, 2020, 76 |
| 2108591 | CIF HKL | C28 H50 Cu N6 O7 | P -1 | 10.946; 12.502; 13.029 70.34; 79.99; 73.06 | 1600.5 | Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand Acta Crystallographica Section B, 2020, 76 |
| 2108592 | CIF HKL | C30 H52 Cu N6 O6 | P b c n | 11.386; 14.063; 21.427 90; 90; 90 | 3430.9 | Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand Acta Crystallographica Section B, 2020, 76 |
| 2108593 | CIF HKL | C60 H80 O46 | P -1 | 10.2989; 14.3586; 14.5679 115.521; 103.49; 100.116 | 1794.4 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
| 2108594 | CIF HKL | C30 H40 O20 | P -1 | 7.5073; 8.0208; 14.723 77.133; 79.494; 84.408 | 848.29 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
| 2108595 | CIF HKL Paper | C34 H44 Mg N6 O10 S2 | P 1 21/c 1 | 17.475; 8.051; 14.19 90; 109.91; 90 | 1877.1 | Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M. The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate Acta Crystallographica Section B, 2020, 76 |
| 2108596 | CIF | C10 H8 N4 O5 | P 1 21/c 1 | 11.67; 11.4666; 8.494 90; 106.848; 90 | 1087.8 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
| 2108597 | CIF HKL | C20 H16 N8 O10 | P -1 | 22.183; 12.546; 5.3092 51.074; 92.16; 97.31 | 1138.5 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
| 2108598 | CIF HKL | C21 H14 N2 O2 | P -1 | 3.82563; 6.50848; 15.2148 89.522; 91.9447; 101.226 | 371.37 | Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U. Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations Acta Crystallographica Section B, 2020, 76 |
| 2108599 | CIF | C24 H22 F4 Si2 | P 1 21/c 1 | 6.7352; 14.8514; 23.3648 90; 94.735; 90 | 2329.1 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
| 2108600 | CIF HKL Paper | C24 H22 F4 Si2 | P 1 21/c 1 | 6.905; 14.948; 23.66 90; 94.82; 90 | 2433.5 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
| 2108601 | CIF HKL | C36 H50 Si2 | P -1 | 8.602; 10.085; 11.209 115.07; 102.61; 98.82 | 825.6 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
| 2108602 | CIF HKL Paper | C21 H20 Cl N2 O3 Re | P 1 21/c 1 | 7.2923; 23.44; 12.75 90; 106.337; 90 | 2091.4 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
| 2108603 | CIF HKL | C23 H24.4 Cl N2 O3 Re | P 1 21/c 1 | 8.2294; 36.355; 8.1035 90; 105.614; 90 | 2334.9 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
| 2108604 | CIF HKL | C25 H28 Cl N2 O3 Re | P 1 21/c 1 | 9.998; 30.878; 8.209 90; 98.497; 90 | 2506.5 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
| 2108605 | CIF HKL | C29 H36 Cl N2 O3 Re | P n m a | 13.0248; 21.7653; 10.421 90; 90; 90 | 2954.2 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
| 2108606 | CIF HKL | C52 H32 N8 O8 S2 Zn2 | P 1 21/c 1 | 7.8461; 20.359; 29.189 90; 94.612; 90 | 4647.5 | Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks Acta Crystallographica Section B, 2020, 76 |
| 2108607 | CIF HKL | C36 H58 O4 | P 1 21/c 1 | 22.486; 8.8585; 8.3874 90; 96.221; 90 | 1660.9 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
| 2108608 | CIF HKL | C28 H38 O6 | P -1 | 8.554; 8.6844; 9.81 100.26; 109.1; 100.53 | 654.5 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
| 2108609 | CIF HKL | C18 H18 O6 | P 1 21 1 | 11.304; 10.064; 14.496 90; 107.822; 90 | 1570 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
| 2108610 | CIF HKL | C16 H18 O4 | P 1 21/c 1 | 13.1; 7.6709; 15.2881 90; 110.181; 90 | 1441.97 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
| 2108611 | CIF | C9 H13 N O2 S2 | P 1 21/n 1 | 9.8106; 10.5345; 10.4312 90; 91.787; 90 | 1077.54 | Vénosová, Barbora; Koziskova, Julia; Kožíšek, Jozef; Herich, Peter; Lušpai, Karol; Petricek, Vaclav; Hartung, Jens; Müller, Mike; Hübschle, Christian B.; van Smaalen, Sander; Bucinsky, Lukas Charge density of 4-methyl-3-[(tetrahydro-2<i>H</i>-pyran-2-yl)oxy]thiazole-2(3<i>H</i>)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study Acta Crystallographica Section B, 2020, 76 |
| 2108612 | CIF HKL | Mo O6 Pr2 | I -4 c 2 | 5.696; 5.696; 31.6796 90; 90; 90 | 1027.83 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
| 2108613 | CIF HKL | Mg0.026 Mo0.974 O5.94 Pr2 | I -4 c 2 | 5.6979; 5.6979; 31.7012 90; 90; 90 | 1029.21 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
| 2108614 | CIF HKL | Al Cu K O8 P2 | P 1 21/c 1 | 5.027; 14.047; 9.263 90; 102.29; 90 | 639.11 | Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure Acta Crystallographica Section B, 2020, 76 |
| 2108615 | CIF HKL | Al3 K2 O16 P3 Si Zn | C 1 2/c 1 | 13.234; 13.121; 8.6581 90; 100.14; 90 | 1479.9 | Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure Acta Crystallographica Section B, 2020, 76 |
| 2108616 | CIF HKL | Ca2 H14 O23 P2 U3 | P b c a | 17.3785; 15.9864; 13.5477 90; 90; 90 | 3763.8 | Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations Acta Crystallographica Section B, 2020, 76 |
| 2108617 | CIF HKL | Ga105.3 Mg69.48 Ni48 | F d -3 m :2 | 19.8621; 19.8621; 19.8621 90; 90; 90 | 7835.7 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
| 2108618 | CIF HKL | Ga8 Mg24 Ni16 | F d -3 m :2 | 11.4886; 11.4886; 11.4886 90; 90; 90 | 1516.4 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
| 2108619 | CIF HKL | C13 H22 N2 O5 | P 1 21/c 1 | 9.8441; 10.8561; 13.5205 90; 96.728; 90 | 1435 | Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer Acta Crystallographica Section B, 2020, 76 |
| 2108620 | CIF HKL | C13 H20 N2 O4 | P -1 | 8.2881; 9.5302; 10.6708 113.46; 105.99; 99.162 | 707.87 | Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer Acta Crystallographica Section B, 2020, 76 |
| 2108621 | CIF HKL | C26 H31.34 N6 Ni2 O16.67 | P -1 | 10.1294; 12.2011; 14.243 82.035; 74.232; 79.373 | 1657.7 | Chahkandi, Mohammad; Keivanloo Shahrestanaki, Abolfazl; Mirzaei, Masoud; Nawaz Tahir, Muhammad; Mague, Joel T. Crystal and molecular structure of [Ni{2-H~2~NC(=O)C~5~H~4~N}~2~(H~2~O)~2~][Ni{2,6-(O~2~C)~2~C~5~H~3~N}~2~]·4.67H~2~O; DFT studies on hydrogen bonding energies in the crystal Acta Crystallographica Section B, 2020, 76 |
| 2108622 | CIF | C3 H18 F9 Gd O18 S3 | P 63/m | 13.7828; 13.7828; 7.3148 90; 90; 120 | 1203.39 | Janicki, Rafał; Starynowicz, Przemysław Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate – insight into Gd^III^—OH~2~ bonding Acta Crystallographica Section B, 2020, 76 |
| 2108623 | CIF HKL | C23 H16 Ag2 N3 S16 | P -1 | 15.0062; 8.582; 13.3243 89.984; 91.447; 90.002 | 1715.4 | Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid Acta Crystallographica Section B, 2020, 76 |
| 2108624 | CIF HKL | C23 H16 Ag2 N3 S16 | P -1 | 15.0831; 8.6447; 13.4755 90.012; 91.364; 89.998 | 1756.56 | Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid Acta Crystallographica Section B, 2020, 76 |
| 2108625 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.21; 6.33; 17.277 90; 102.41; 90 | 876.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108626 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.705; 13.476; 13.843 90; 101.159; 90 | 1776.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108627 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.642; 13.292; 13.931 90; 99.89; 90 | 1758.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108628 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.317; 6.0774; 17.513 90; 103.095; 90 | 862.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108629 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 13.366; 11.6008; 30.052 90; 130.787; 90 | 3528.1 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108630 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 22.323; 13.499; 11.828 90; 98.459; 90 | 3525 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108631 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.448; 6.1171; 16.087 90; 102.193; 90 | 3505.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108632 | CIF HKL | C22 H17 F4 N O | P c a 21 | 16.559; 17.595; 6.1048 90; 90; 90 | 1778.7 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108633 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.445; 21.293; 9.59 90; 112.96; 90 | 1775.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108634 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.079; 6.2372; 16.051 90; 104.627; 90 | 3494.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108635 | CIF HKL | C22 H17 F4 N O | P 1 c 1 | 17.468; 6.2025; 16.338 90; 92.208; 90 | 1768.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108636 | CIF | C22 H17 F4 N O | P 1 21/c 1 | 18.194; 6.147; 16.182 90; 104.903; 90 | 1748.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108637 | CIF HKL | C22 H17 F4 N O | P 1 n 1 | 7.6714; 7.1287; 16.428 90; 100.298; 90 | 883.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108638 | CIF HKL | C22 H17 F4 N O | P b c a | 16.643; 6.1042; 35.217 90; 90; 90 | 3577.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108639 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 12.287; 11.3169; 22.191 90; 145.954; 90 | 1727.5 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108640 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 12.947; 10.4113; 22.59 90; 145.306; 90 | 1733.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108641 | CIF | C22 H17 F4 N O | P -1 | 11.137; 11.8983; 15.127 73.675; 71.73; 72.936 | 1779.74 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108642 | CIF HKL | C22 H17 F4 N O | P -1 | 10.6975; 13.2186; 13.6339 68.667; 80.428; 81.09 | 1761.4 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108643 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 11.322; 12.437; 20.012 90; 140.922; 90 | 1776.4 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108644 | CIF HKL | C22 H21 N O | P b c a | 10.3744; 16.379; 19.851 90; 90; 90 | 3373.1 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108645 | CIF HKL Paper | C21 H16 N2 O4 | B 1 21 1 | 15.5993; 49.062; 15.6099 90; 119.896; 90 | 10357 | Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione Acta Crystallographica Section B, 2020, 76 |
| 2108646 | CIF HKL | Al3 B4 O12 Sm | C 1 2/c 1 | 7.2386; 9.3412; 11.1013 90; 103.224; 90 | 730.73 | Oreshonkov, A. S.; Shestakov, N. P.; Molokeev, M. S.; Aleksandrovsky, A. S.; Gudim, I. A.; Temerov, V. L.; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Pogoreltsev, E. I.; Denisenko, Y. G. Monoclinic SmAl~3~(BO~3~)~4~: synthesis, structural and spectroscopic properties Acta Crystallographica Section B, 2020, 76 |
| 2108647 | CIF | B4 Ca3 Eu2 O12 | P n m a | 7.20378; 15.57492; 8.63406 90; 90; 90 | 968.727 | Kosyl, Katarzyna M.; Paszkowicz, Wojciech; Shekhovtsov, Alexey N.; Kosmyna, Miron B.; Antonowicz, Jerzy; Olczak, Adam; Fitch, Andrew N. Variation of cation distribution with temperature and its consequences on thermal expansion for Ca~3~Eu~2~(BO~3~)~4~ Acta Crystallographica Section B, 2020, 76, 554-562 |
| 2108648 | CIF Paper | B Fe2.654 Mg0.346 O5 | P b a m | 9.3914; 12.3034; 3.0697 90; 90; 90 | 354.69 | Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V. Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis Acta Crystallographica Section B, 2020, 76, 543-553 |
| 2108649 | CIF Paper | B Fe2.654 Mg0.346 O5 | P b a m | 9.425; 12.3528; 3.0799 90; 90; 90 | 358.58 | Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V. Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis Acta Crystallographica Section B, 2020, 76, 543-553 |
| 2108650 | CIF | C2 D10 O3 S | P 1 21/c 1 | 6.30238; 9.05654; 11.22025 90; 105.969; 90 | 615.714 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide–water system Acta Crystallographica Section B, 2020, 76 |
| 2108651 | CIF | C2 D12 O4 S | P 1 21/c 1 | 10.266194; 7.01113; 10.068968 90; 101.503; 90 | 710.183 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide–water system Acta Crystallographica Section B, 2020, 76 |
| 2108652 | CIF HKL | Cl Na | F m -3 m | 5.6035; 5.6035; 5.6035 90; 90; 90 | 175.95 | Tsirelson, Vladimir; Stash, Adam Orbital-free quantum crystallography: view on forces in crystals Acta Crystallographica Section B, 2020, 76 |
| 2108653 | CIF | F120 Ga20 K60 | I 41/a :2 | 19.1124; 19.1124; 34.4165 90; 90; 90 | 12571.8 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
| 2108654 | CIF | F30 Ga5 K15 | I 4/m | 13.6088; 13.6088; 8.6764 90; 90; 90 | 1606.86 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
| 2108655 | CIF | F6 Ga K3 | F m -3 m | 8.6649; 8.6649; 8.6649 90; 90; 90 | 650.565 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
| 2108656 | CIF HKL | C29 H20 Br3 Mn O4 P2 S | C 1 2 1 | 15.366; 16.035; 14.327 90; 91.21; 90 | 3529.3 | Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions Acta Crystallographica Section B, 2020, 76 |
| 2108657 | CIF HKL Paper | C260 H264 N24 O40 | I 4 2 2 | 21.91; 21.91; 25.44 90; 90; 90 | 12212 | Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR Acta Crystallographica Section B, 2020, 76 |
| 2108658 | CIF HKL | C15 H18 N2 O4 | C 1 2/c 1 | 12.741; 7.7542; 29.3961 90; 98.6; 90 | 2871.57 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
| 2108659 | CIF HKL | C15 H18 N2 O4 | P 1 21/c 1 | 7.3324; 29.277; 7.4171 90; 117.402; 90 | 1413.6 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
| 2108660 | CIF HKL | C15 H18 N2 O4 | P -1 | 7.119; 7.2678; 15.0171 78.012; 82.182; 66.007 | 693.2 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
| 2108661 | CIF HKL | C15 H18 N2 O4 | P 1 21/c 1 | 7.3901; 25.1748; 8.0438 90; 108.992; 90 | 1415.04 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
| 2108662 | CIF HKL | C15 H18 N2 O4 | P -1 | 13.1277; 13.977; 17.802 80.629; 82.485; 62.419 | 2850.8 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
| 2108663 | CIF HKL | Cl10 H20 Li4 O11 Ru2 | P -1 | 8.0548; 10.7806; 13.7195 78.551; 80.825; 72.1629 | 1105.28 | Mudiyanselage, Ranuri S Dissanayaka; Marshall, Madalynn; Kong, Tai; Xie, Weiwei Li~4~Ru~2~OCl~10~·10H~2~O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes Acta Crystallographica Section B, 2020, 76 |
| 2108664 | CIF HKL | K3 Mo6 Na Ni4 O24 | R -3 c :H | 14.279; 14.279; 19.7589 90; 90; 120 | 3488.9 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
| 2108665 | CIF HKL | K2.51 Mo6 Na1.49 Ni4 O24 | R -3 c :H | 14.2719; 14.2719; 19.8063 90; 90; 120 | 3493.8 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
| 2108666 | CIF HKL | K3 Mg4 Mo6 Na O24 | R -3 c :H | 14.4528; 14.4528; 19.8894 90; 90; 120 | 3597.96 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
| 2108667 | CIF HKL | K2.88 Mg4 Mo6 Na1.12 O24 | R -3 c :H | 14.4673; 14.4673; 19.9186 90; 90; 120 | 3610.5 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
| 2108668 | CIF HKL | Co4 K3 Mo6 Na O24 | R -3 c :H | 14.4638; 14.4638; 19.8369 90; 90; 120 | 3593.93 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
| 2108669 | CIF HKL | K3.11 Li0.89 Mg4 Mo6 O24 | R -3 c :H | 14.3541; 14.3541; 19.7338 90; 90; 120 | 3521.22 | Gulyaeva, Oksana A.; Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.; Mateyshina, Yuliya G.; Uvarov, Nikolai F. Triple molybdates K~3{‒~<i>x</i>}Na~1+<i>x~</i><i>M</i>~4~(MoO~4~)~6~ (<i>M</i>~= Ni, Mg, Co) and K~3+<i>x~</i>Li~1{‒~<i>x</i>}Mg~4~(MoO~4~)~6~ isotypic with II-Na~3~Fe~2~(AsO~4~)~3~ and yurmarinite: synthesis, potassium disorder, crystal chemistry and ionic conductivity Acta Crystallographica Section B, 2020, 76 |
| 2108670 | CIF Paper | C3 H8 N2 O6 P2 | P n n a | 7.014; 8.361; 14.389 90; 90; 90 | 843.8 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
| 2108671 | CIF HKL Paper | C3 H8 N2 O6 P2 | P n n a | 6.962; 8.368; 14.388 90; 90; 90 | 838.2 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
| 2108672 | CIF HKL Paper | C3 H8 N2 O6 P2 | P 21/n 1 1 | 13.673; 8.396; 14.317 90.57; 90; 90 | 1643.5 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
| 2108673 | CIF HKL Paper | C6 H12 N4 O6 P2 | P 43 21 2 | 8.966; 8.966; 15.462 90; 90; 90 | 1243 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
| 2108674 | CIF HKL | C23 H26 F N3 O6 | P 1 21 1 | 6.49617; 7.41888; 23.587 90; 92.9418; 90 | 1135.26 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
| 2108675 | CIF HKL | C23 H28 F N3 O8 | P 21 21 21 | 6.428; 6.987; 52.001 90; 90; 90 | 2335.5 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
| 2108676 | CIF | C23 H26 F N3 O8 | P 21 21 21 | 4.7535; 15.801; 29.855 90; 90; 90 | 2242.41 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
| 2108677 | CIF HKL | C46 H54.5 F2 N6 O17.25 | P 21 21 2 | 30.3989; 16.1024; 9.66944 90; 90; 90 | 4733.14 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
| 2108678 | CIF HKL | C23 H28 F N3 O10 | P 1 21 1 | 16.78184; 15.47624; 19.5982 90; 105.758; 90 | 4898.74 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
| 2108679 | CIF | Cu Ge9 O24 Sr5 | P 1 2/c 1 | 11.8817; 8.19277; 10.3237 90; 101.597; 90 | 984.43 | Klein, Holger; Kodjikian, Stéphanie; Philippe, Rémy; Ding, Lei; Colin, Claire V.; Darie, Céline; Bordet, Pierre Three different Ge environments in a new Sr~5~CuGe~9~O~24~ phase synthesized at high pressure and high temperature Acta Crystallographica Section B, 2020, 76, 727-732 |
| 2108680 | CIF HKL Paper | C12 H13 N O8 | P 21 21 2 | 29.1612; 9.207; 4.7387 90; 90; 90 | 1272.28 | Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V. A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization Acta Crystallographica Section B, 2020, 76 |
| 2108681 | CIF HKL | C12 H13 N O8 | P 21 21 2 | 29.0583; 9.15479; 4.70223 90; 90; 90 | 1250.9 | Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V. A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization Acta Crystallographica Section B, 2020, 76 |
| 2108682 | CIF HKL | C16 H12 O12 Zn2 | C 1 2/c 1 | 16.1681; 16.261; 13.7893 90; 110.508; 90 | 3395.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2108683 | CIF HKL | C28 H20 N4 O11 Zn2 | P -1 | 10.07; 12.144; 14.172 104.63; 105.637; 109.156 | 1461.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2108684 | CIF HKL | C26 H20 N2 O12 Zn2 | P -1 | 7.8759; 8.0318; 20.59 86.441; 88.986; 72.182 | 1237.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2108685 | CIF HKL | C28 H14 Cd2 N2 O9 | P -1 | 11.2042; 11.2728; 11.7208 109.537; 97.561; 110.368 | 1255.34 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2108686 | CIF HKL | C26 H18 N2 Ni2 O11 | P -1 | 9.2229; 12.2226; 13.073 112.261; 106.134; 97.765 | 1261.3 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2108687 | CIF HKL | C128 H85 Co4 N12 O18 | P 1 21/c 1 | 31.055; 23.792; 16.54 90; 94.255; 90 | 12187 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2108688 | CIF HKL | C48 H32 Co2 N4 O10 | P -1 | 12.068; 14.523; 14.662 68.654; 79.061; 75.13 | 2300 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2108689 | CIF | C26 H33 N O2 | P 21 21 21 | 7.4313; 9.6383; 29.8978 90; 90; 90 | 2141.43 | Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof Charge density analysis of abiraterone acetate Acta Crystallographica Section B, 2020, 76 |
| 2108690 | CIF HKL | C26 H33 N O2 | P 21 21 21 | 7.4313; 9.6383; 29.8978 90; 90; 90 | 2141.43 | Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof Charge density analysis of abiraterone acetate Acta Crystallographica Section B, 2020, 76 |
| 2108691 | CIF HKL | B Bi4 I O7 | I m m m | 3.959; 13.453; 3.969 90; 90; 90 | 211.39 | Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia The first bismuth borate oxyiodide, Bi~4~BO~7~I: commensurate or incommensurate? Acta Crystallographica Section B, 2020, 76 |
| 2108692 | CIF | Ca0.1 Fe La0.9 O3 | P n m a | 5.558528; 7.837216; 5.547272 90; 90; 90 | 241.658 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108693 | CIF | Ca0.4 Fe La0.6 O3 | P n m a | 5.506428; 7.77618; 5.529845 90; 90; 90 | 236.782 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108694 | CIF | Ca0.1 Fe Nd0.9 O3 | P n m a | 5.568011; 7.756535; 5.451495 90; 90; 90 | 235.442 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108695 | CIF | Ca0.4 Fe Nd0.6 O3 | P n m a | 5.533425; 7.725984; 5.448728 90; 90; 90 | 232.939 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108696 | CIF | Ca0.12 Fe La0.88 O3 | P 1 | 7.860187; 7.839117; 7.860187 90; 89.7476; 90 | 484.316 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108697 | CIF | Ca0.5 Fe La0.5 O3 | P -1 | 5.570218; 7.839117; 5.545738 90; 90; 90 | 242.158 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108698 | CIF | Ca0.12 Fe Nd0.88 O3 | P 1 | 7.793071; 7.757502; 7.793071 90; 88.7865; 90 | 471.023 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108699 | CIF | Ca0.5 Fe Nd0.5 O3 | P -1 | 5.56858; 7.757502; 5.451869 90; 90; 90 | 235.511 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
| 2108700 | CIF HKL | La Te1.933 | P 4/n m m :1 | 4.5226; 4.5226; 9.147 90; 90; 90 | 187.09 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
| 2108701 | CIF HKL | Pr Te1.942 | P 4/n m m :1 | 4.4535; 4.4535; 9.047 90; 90; 90 | 179.44 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
| 2108702 | CIF HKL | Nd Te1.923 | P 4/n m m :1 | 4.4274; 4.4274; 9.029 90; 90; 90 | 176.99 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
| 2108703 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.1016; 18.473; 9.04 90; 95.91; 90 | 1346 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108704 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.089; 18.4614; 9.074 90; 96.08; 90 | 1347.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108705 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.053; 18.47; 9.044 90; 95.4; 90 | 1339 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108706 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.982; 18.318; 8.964 90; 95.08; 90 | 1305.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108707 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.965; 18.251; 8.929 90; 94.85; 90 | 1293.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108708 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.918; 18.223; 8.897 90; 94.6; 90 | 1280 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108709 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.897; 18.1579; 8.874 90; 94.54; 90 | 1268.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108710 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.8356; 18.074; 8.88 90; 94.24; 90 | 1254 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108711 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.84; 18.094; 8.82 90; 94.13; 90 | 1248 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108712 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.7755; 18.017; 8.75 90; 93.53; 90 | 1223 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108713 | CIF HKL | C6 H5 N7 O0.3 | I 41/a :2 | 28.1674; 28.1674; 4.15209 90; 90; 90 | 3294.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108714 | CIF | C6 H5 N7 O0.4 | I 41/a :2 | 28.1659; 28.1659; 4.12335 90; 90; 90 | 3271.13 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108715 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1314; 28.1314; 4.09378 90; 90; 90 | 3239.72 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108716 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1081; 28.1081; 4.06918 90; 90; 90 | 3214.92 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108717 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.0757; 28.0757; 4.04859 90; 90; 90 | 3191.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108718 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 28.275; 28.275; 4.1124 90; 90; 90 | 3287.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108719 | CIF | C6 H5 N7 O0.6 | I 41/a :2 | 28.18; 28.18; 4.0701 90; 90; 90 | 3232.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108720 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 27.972; 27.972; 3.9991 90; 90; 90 | 3129 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108721 | CIF HKL Paper | C25 H34 O2 S | P c a 21 | 54.285; 5.5843; 14.8411 90; 90; 90 | 4499 | Deptuch, Aleksandra; Jaworska-Gołab, Teresa; Kusz, Joachim; Ksiażek, Maria; Nagao, Keigo; Matsumoto, Takashi; Yamano, Akihito; Ossowska-Chruściel, Mirosława D.; Chruściel, Janusz; Marzec, Monika Single crystal X-ray structure determination and temperature-dependent structural studies of the smectogenic compound 7OS5 Acta Crystallographica Section B, 2020, 76 |
| 2108722 | CIF HKL | B12 Yb | F m -3 m | 7.4598; 7.4598; 7.4598 90; 90; 90 | 415.128 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108723 | CIF HKL | B12 Yb | F m -3 m | 7.46; 7.46; 7.46 90; 90; 90 | 415.161 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108724 | CIF HKL | B12 Yb | F m -3 m | 7.4602; 7.4602; 7.4602 90; 90; 90 | 415.194 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108725 | CIF HKL | B12 Yb | F m -3 m | 7.4603; 7.4603; 7.4603 90; 90; 90 | 415.211 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108726 | CIF HKL | B12 Yb | F m -3 m | 7.4584; 7.4584; 7.4584 90; 90; 90 | 414.89 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108727 | CIF HKL | B12 Yb | F m -3 m | 7.4585; 7.4585; 7.4585 90; 90; 90 | 414.911 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108728 | CIF HKL | B12 Yb | F m -3 m | 7.4599; 7.4599; 7.4599 90; 90; 90 | 415.144 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108729 | CIF HKL | B12 Yb | F m -3 m | 7.4608; 7.4608; 7.4608 90; 90; 90 | 415.295 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108730 | CIF HKL | B12 Yb | F m -3 m | 7.4629; 7.4629; 7.4629 90; 90; 90 | 415.645 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108731 | CIF HKL | C10 H11 N O3 | P 21 21 21 | 5.1732; 8.286; 22.264 90; 90; 90 | 954.3 | Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E. Two conformational polymorphs of 4-methylhippuric acid Acta Crystallographica Section B, 2020, 76 |
| 2108732 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 9.59; 8.67; 23.811 90; 94.364; 90 | 1974 | Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E. Two conformational polymorphs of 4-methylhippuric acid Acta Crystallographica Section B, 2020, 76 |
| 2108733 | CIF HKL | C23 H26 N4 O S | P -1 | 9.4054; 10.4228; 11.9607 96.683; 95.288; 104.474 | 1118.59 | Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction Acta Crystallographica Section B, 2020, 76 |
| 2108734 | CIF | C23 H26 N4 O S | P -1 | 9.4051; 10.4236; 11.9619 96.686; 95.2878; 104.474 | 1118.74 | Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction Acta Crystallographica Section B, 2020, 76 |
| 2108735 | CIF HKL | Ag3.06 O12 P3 Sc2 | C 1 2/c 1 | 15.467; 8.9627; 9.1186 90; 124.144; 90 | 1046.2 | Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system Acta Crystallographica Section B, 2021, 77, 10-22 |
| 2108736 | CIF HKL | Ag3.03 O12 P2 Sc2 | C 1 2/c 1 | 15.5374; 8.9703; 22.5718 90; 89.9984; 90 | 3145.95 | Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system Acta Crystallographica Section B, 2021, 77, 10-22 |
| 2108737 | CIF HKL | Ag3.05 O12 P3 Sc2 | R -3 c :H | 8.9756; 8.9756; 22.6248 90; 90; 120 | 1578.49 | Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system Acta Crystallographica Section B, 2021, 77, 10-22 |
| 2108738 | CIF HKL | Ag3.02 O12 P3 Sc2 | R -3 c :H | 8.9671; 8.9671; 22.7622 90; 90; 120 | 1585.1 | Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system Acta Crystallographica Section B, 2021, 77, 10-22 |
| 2108739 | CIF HKL | C18 H10 Cl2 O2 S2 | P 1 21/c 1 | 4.6455; 15.9427; 10.1908 90; 95.846; 90 | 750.82 | Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A.; Podgornov, F. V.; Matveychuk, Y. V.; Bartashevich, E. V.; Nayfert, S. A.; Adonin, S. A.; Gavrilyak, M. V.; Boronin, V. A.; Polozov, M. A.; Karthikeyan, S.; Sarojadevi, M.; Rajakumar, K.; Prabunathan, P. Crystal structures and dielectric properties of 4,4'-dimethyl-6,6'-dichlorothioindigo (Pigment Red 181) Acta Crystallographica Section B, 2021, 77, 23-30 |
| 2108740 | CIF HKL | C18 H10 Cl2 O2 S2 | P -1 | 3.8612; 8.8249; 11.2319 94.972; 92.244; 90.968 | 380.91 | Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A.; Podgornov, F. V.; Matveychuk, Y. V.; Bartashevich, E. V.; Nayfert, S. A.; Adonin, S. A.; Gavrilyak, M. V.; Boronin, V. A.; Polozov, M. A.; Karthikeyan, S.; Sarojadevi, M.; Rajakumar, K.; Prabunathan, P. Crystal structures and dielectric properties of 4,4'-dimethyl-6,6'-dichlorothioindigo (Pigment Red 181) Acta Crystallographica Section B, 2021, 77, 23-30 |
| 2108741 | CIF HKL | C32 H27 F3 N4 O3 | P -1 | 5.2419; 15.0825; 18.4638 103.874; 93.756; 97.404 | 1398.3 | Schneider-Rauber, Gabriela; Arhangelskis, Mihails; Bond, Andrew D.; Ho, Raimundo; Nere, Nandkishor; Bordawekar, Shailendra; Sheikh, Ahmad Y.; Jones, William Polymorphism and surface diversity arising from stress-induced transformations – the case of multicomponent forms of carbamazepine Acta Crystallographica Section B, 2021, 77, 54-67 |
| 2108742 | CIF HKL Paper | C7.5 H10 N3 O4 | P -1 | 6.905; 8.394; 9.339 117.56; 102.07; 89.39 | 466.94 | Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt Acta Crystallographica Section B, 2021, 77, 31-40 |
| 2108743 | CIF HKL | C7.5 H10 N3 O4 | P -1 | 6.999; 8.378; 9.249 116.22; 101.88; 91.18 | 472.3 | Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt Acta Crystallographica Section B, 2021, 77, 31-40 |
| 2108744 | CIF HKL | C7.5 H10 N3 O4 | P -1 | 6.98; 8.4; 9.23 116.4; 101.57; 91.09 | 471.3 | Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt Acta Crystallographica Section B, 2021, 77, 31-40 |
| 2108745 | CIF HKL | C7.5 H10 N3 O4 | P -1 | 7.295; 8.28; 9.249 115.79; 103.12; 91.91 | 484.3 | Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt Acta Crystallographica Section B, 2021, 77, 31-40 |
| 2108746 | CIF HKL Paper | C30 H36 Co Mo8 N7 O30 | P 1 21/c 1 | 19.27; 10.993; 23.917 90; 107.517; 90 | 4831.5 | Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates Acta Crystallographica Section B, 2021, 77, 99-114 |
| 2108747 | CIF HKL Paper | C60 H72 Co2 Mo12 N12 O51 | P 1 21/n 1 | 11.151; 21.972; 37.57 90; 97.218; 90 | 9132 | Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates Acta Crystallographica Section B, 2021, 77, 99-114 |
| 2108748 | CIF HKL Paper | C20 H16 Co Mo4 N4 O13 | P 1 21/n 1 | 10.053; 16.408; 15.749 90; 100.06; 90 | 2557.9 | Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates Acta Crystallographica Section B, 2021, 77, 99-114 |
| 2108749 | CIF HKL | C2 H5 Na O | P -4 21 m | 4.41084; 4.41084; 9.06779 90; 90; 90 | 176.418 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108750 | CIF HKL | C6 H17 Na O3 | P 1 21/n 1 | 11.622; 5.1926; 17.682 90; 104.08; 90 | 1035 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108751 | CIF HKL | C3 H7 Na O | P 4/n m m :2 | 4.38439; 4.38439; 12.1431 90; 90; 90 | 233.425 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108752 | CIF HKL | C4 H9 Na O | P 4/n m m :2 | 4.43232; 4.43232; 14.0143 90; 90; 90 | 275.317 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108753 | CIF HKL | C5 H11 Na O | P 4/n m m :2 | 4.4084; 4.4084; 16.9376 90; 90; 90 | 329.17 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108754 | CIF HKL | C18 H47 Na O6 | C 1 2/c 1 | 21.2073; 17.1307; 17.825 90; 123.871; 90 | 5376.8 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108755 | CIF HKL | C9 H23 Na O3 | C 1 2/c 1 | 23.745; 5.075; 24.174 90; 111.589; 90 | 2708.7 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108756 | CIF | C10 H23 Na O2 | P 1 21/c 1 | 10.126; 6.0299; 20.6944 90; 104.16; 90 | 1225.18 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
| 2108757 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 8.6896; 10.891; 9.596 90; 90.075; 90 | 908.15 | Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data Acta Crystallographica Section B, 2021, 77 |
| 2108758 | CIF HKL | C5 H12 O5 | P 21 21 21 | 8.2707; 8.9022; 8.9217 90; 90; 90 | 656.88 | Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data Acta Crystallographica Section B, 2021, 77 |
| 2108759 | CIF HKL | C5 H6 N2 O2 | I b a m | 13.17921; 13.20059; 6.21502 90; 90; 90 | 1081.25 | Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data Acta Crystallographica Section B, 2021, 77 |
| 2108760 | CIF HKL | C5 H6 N2 O2 | I b a m | 13.1643; 13.184; 6.2067 90; 90; 90 | 1077.22 | Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data Acta Crystallographica Section B, 2021, 77 |
| 2108761 | CIF | C10 H11 N O3 | P 1 21/c 1 | 8.6809; 10.8826; 9.6214 90; 90.15; 90 | 908.94 | Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data Acta Crystallographica Section B, 2021, 77 |
| 2108762 | CIF Paper | C16 H26 O6 | C 1 2 1 | 12.5887; 6.9; 18.2523 90; 107.227; 90 | 1514.31 | Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal Acta Crystallographica Section B, 2021, 77 |
| 2108763 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.8511; 12.8511; 12.8511 90; 90; 90 | 2122.37 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
| 2108764 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.8592; 12.8592; 12.8592 90; 90; 90 | 2126.38 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
| 2108765 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.8775; 12.8775; 12.8775 90; 90; 90 | 2135.48 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
| 2108766 | CIF HKL | La3 Li6.27 O12 Ta1.09 Zr0.91 | I a -3 d | 12.9051; 12.9051; 12.9051 90; 90; 90 | 2149.24 | Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K) Acta Crystallographica Section B, 2021, 77, 123-130 |
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