Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2109051 | CIF HKL Paper | C23 H30 I4 N2 Se | P 1 21/n 1 | 11.0063; 22.9632; 11.1015 90; 93.024; 90 | 2801.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109052 | CIF HKL Paper | C24 H32 Cl2 I4 N2 Se | P -1 | 8.4541; 8.5353; 22.0045 93.258; 90.198; 98.032 | 1569.59 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109053 | CIF HKL Paper | C26 H35 I5 N2 O Se | C 1 2/c 1 | 13.2501; 11.0708; 45.509 90; 96.722; 90 | 6629.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109054 | CIF HKL Paper | C29 H41 I3 N2 O S | P -1 | 8.7838; 14.2194; 15.1418 63.522; 74.494; 80.494 | 1628.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109055 | CIF HKL Paper | C29 H41 I3 N2 O Se | P -1 | 8.8091; 14.2584; 15.1228 63.952; 74.061; 81.113 | 1639.67 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109056 | CIF HKL Paper | C29 H30 F4 I2 N2 S | P n a 21 | 7.6668; 16.8546; 22.3786 90; 90; 90 | 2891.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109057 | CIF HKL Paper | C29 H30 F4 I2 N2 S | P 21 21 21 | 8.208; 12.9974; 27.2463 90; 90; 90 | 2906.71 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109058 | CIF HKL Paper | C29 H30 F4 I2 N2 Se | P 21 21 21 | 8.2583; 12.9953; 27.224 90; 90; 90 | 2921.65 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109059 | CIF HKL | C52 H60 F4 I2 N4 S2 | C 1 2/c 1 | 39.0981; 17.0474; 7.3957 90; 94.344; 90 | 4915.2 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109060 | CIF HKL | C52 H60 F4 I2 N4 Se2 | C 1 2/c 1 | 39.058; 17.2429; 7.4287 90; 94.012; 90 | 4990.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109061 | CIF HKL | C52 H60 F4 I2 N4 S2 | P -1 | 7.502; 12.2475; 14.478 104.905; 95.822; 104.609 | 1224.1 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109062 | CIF HKL | C52 H60 F4 I2 N4 Se2 | P -1 | 7.5969; 12.1995; 14.4439 104.613; 95.7464; 104.119 | 1237.43 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109063 | CIF HKL | C52 H60 F4 I2 N4 S2 | P 1 21/c 1 | 13.3377; 15.2129; 13.0613 90; 109.998; 90 | 2490.41 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109064 | CIF HKL Paper | C87 H90 F9 I9 N6 S3 | P 1 21/c 1 | 39.226; 7.9811; 30.341 90; 106.162; 90 | 9123.3 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109065 | CIF HKL Paper | C29 H30 F3 I3 N2 Se | P 1 21/n 1 | 8.0412; 30.07; 12.4774 90; 92.632; 90 | 3013.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109066 | CIF HKL Paper | C29 H30 F5 I N2 S | P n a 21 | 7.8472; 16.1751; 21.7956 90; 90; 90 | 2766.5 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109067 | CIF HKL | C76 H60 F25 I5 N4 Se2 | P 1 21/c 1 | 25.9292; 8.0709; 20.4309 90; 113.037; 90 | 3934.6 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109068 | CIF HKL | C24 H30 I2 N2 S | P -1 | 7.917; 11.6457; 15.0306 67.358; 83.953; 72.067 | 1216.73 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109069 | CIF HKL | C48 H60 I4 N4 Se2 | P -1 | 7.9777; 11.7334; 15.0059 67.54; 82.671; 71.632 | 1231.91 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
| 2109070 | CIF HKL | Ca5 Cl O12 V3 | P 63/m | 10.149; 10.149; 6.7957 90; 90; 120 | 606.19 | Matsuura, Mimiko; Okudera, Hiroki Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds Acta Crystallographica Section B, 2022, 78 |
| 2109071 | CIF HKL | Ca4.78 Cl0.78 Na0.22 O12 P3 | P 63/m | 9.5773; 9.5773; 6.8033 90; 90; 120 | 540.43 | Matsuura, Mimiko; Okudera, Hiroki Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds Acta Crystallographica Section B, 2022, 78 |
| 2109072 | CIF HKL | Hf O3 Pb | I m m a | 5.8522; 8.236; 5.867 90; 90; 90 | 282.8 | Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry Incommensurate crystal structure of PbHfO~3~ Acta Crystallographica Section B, 2020, 76, 7-12 |
| 2109073 | CIF HKL Paper | C3 H7 N3 O5 | I 1 2/a 1 | 8.6385; 6.6817; 11.6069 90; 107.466; 90 | 639.061 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
| 2109074 | CIF HKL | C20 H14 | P 21 21 21 | 8.0808; 8.1662; 20.3821 90; 90; 90 | 1345 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
| 2109075 | CIF HKL | C20 H14 | P 21 21 21 | 8.1019; 8.1922; 20.442 90; 90; 90 | 1356.8 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
| 2109076 | CIF | Al0.1 B Fe0.45 Mg2.15 O5 Ti0.3 | P b a m | 9.246; 12.2731; 3.0092 90; 90; 90 | 341.48 | Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Cherosov, Mikhail A.; Bubnova, Rimma S.; Vagizov, Farit G.; Krzhizhanovskaya, Maria G.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V. X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe^2+^)~2~(Fe^3+^,Ti,Mg,Al)O~2~(BO~3~): an <i>in situ</i> temperature-dependent investigation (5 {łeq} <i>T</i> {łeq} 1650K) Acta Crystallographica Section B, 2022, 78 |
| 2109077 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5329; 9.9018; 7.0147 90; 100.309; 90 | 378.1 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109078 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5204; 9.8941; 6.9655 90; 100.34; 90 | 374.27 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109079 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5087; 9.8814; 6.9315 90; 100.379; 90 | 371.13 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109080 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.2831; 9.491; 6.5957 90; 100.623; 90 | 325.05 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109081 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.2524; 9.4479; 6.535 90; 100.664; 90 | 318.69 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109082 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.173; 9.3305; 6.3822 90; 100.777; 90 | 302.61 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109083 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.107; 9.206; 6.285 90; 101.08; 90 | 290 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109084 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.85463; 10.1532; 7.2722 90; 102.701; 90 | 421.71 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109085 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.83962; 10.1442; 7.2368 90; 102.705; 90 | 418.2 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109086 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.82719; 10.1348; 7.20284 90; 102.711; 90 | 414.956 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109087 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.5767; 9.7073; 6.8424 90; 102.262; 90 | 361.96 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109088 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.5292; 9.6336; 6.7597 90; 102.209; 90 | 351.92 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109089 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.4696; 9.5403; 6.6492 90; 102.28; 90 | 339.03 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109090 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.4335; 9.4863; 6.584 90; 102.191; 90 | 331.71 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
| 2109091 | CIF HKL Paper | C19 H21 Cl N4 O6 | P -1 | 7.0381; 12.2643; 12.4636 103.215; 97.797; 93.497 | 1032.92 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109092 | CIF HKL | C19 H23 N3 O5 | P 1 21/n 1 | 8.7472; 16.9734; 13.248 90; 94.886; 90 | 1959.78 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109093 | CIF HKL | C21 H25 N3 O4 | P -1 | 6.9734; 11.254; 13.4029 89.949; 82.689; 74.261 | 1003.55 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109094 | CIF HKL | C19 H21 N5 O8 | P 1 21/n 1 | 6.9538; 18.9491; 15.9042 90; 99.261; 90 | 2068.35 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109095 | CIF HKL | C14 H20 N3 O4 | P 1 21/c 1 | 6.9773; 20.6482; 10.5035 90; 98.764; 90 | 1495.56 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109096 | CIF HKL | C19 H22 N4 O6 | P -1 | 6.8701; 12.1647; 12.1779 101.13; 92.818; 105.005 | 959.26 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109097 | CIF | C19 H23 N3 O6 | P 1 21/n 1 | 8.5777; 17.5407; 13.22 90; 96.605; 90 | 1975.86 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109098 | CIF HKL | C45 H52 N6 O13 | C 1 2/c 1 | 41.7; 8.2992; 12.9536 90; 97.033; 90 | 4449.2 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
| 2109099 | CIF HKL Paper | Al8 Cl7 Cu24 Li4.19 Na19.81 O105 P24 | C 1 2/m 1 | 13.3428; 18.932; 8.9404 90; 90.361; 90 | 2258.35 | Yakubovich, Olga V.; Kiriukhina, Galina V.; Simonov, Sergey V.; Volkov, Anatoly S.; Dimitrova, Olga V. (Na,Li)~3~(Cl,OH)[Cu~3~OAl(PO~4~)~3~]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure Acta Crystallographica Section B, 2023, 79, 24-31 |
| 2109100 | CIF HKL | H5 Nd O8 Se2 | P 1 21/c 1 | 7.0815; 6.6996; 16.7734 90; 101.256; 90 | 780.48 | Murtazoev, Alisher F.; Berdonosov, Peter S.; Aksenov, Sergey M.; Kuznetsov, Alexey N.; Dolgikh, Valery A.; Nelyubina, Yulia V.; Merlino, Stefano Polytypism of Ln(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O, DFT calculations and order/disorder description. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 176-183 |
| 2109101 | CIF HKL Paper | Ba2 O8 Si2 Ti | P 4 b m | 8.5104; 8.5104; 5.1975 90; 90; 90 | 376.44 | Chukanov, Nikita V.; Kazheva, Olga N.; Fischer, Reinhard X.; Aksenov, Sergey M. Refinement of the crystal structure of fresnoite, Ba<sub>2</sub>TiSi<sub>2</sub>O<sub>8</sub>, from Löhley (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated Ti<sup>IV</sup> and a titanyl bond. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 184-194 |
| 2310026 | CIF Paper | Cl4 Rb2 Zn | Pmcn(00\g)ss0 | 7.241; 12.648; 9.216 90; 90; 90 | 844.04 | Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~ Acta Crystallographica Section B, 2011, 67, 205-217 |
| 2310027 | CIF Paper | Cl4 Rb2 Zn | Pmcn(00\g)ss0 | 7.241; 12.648; 9.216 90; 90; 90 | 844.04 | Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~ Acta Crystallographica Section B, 2011, 67, 205-217 |
| 2310028 | CIF Paper | Sb8 Te3 | R-3m(00\g) | 4.3134; 4.3134; 5.8658 90; 90; 120 | 94.514 | Kifune, Kouichi; Fujita, Tomoko; Kubota, Yoshiki; Yamada, Noboru; Matsunaga, Toshiyuki Crystallization of the chalcogenide compound Sb~8~Te~3~ Acta Crystallographica Section B, 2011, 67, 381-385 |
| 2310029 | CIF Paper | Ba0.721 Ca0.251 Ce0.024 Nb2 O6 | X4bm | 12.4596; 12.4596; 7.9042 90; 90; 90 | 1227.06 | Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28) Acta Crystallographica Section B, 2012, 68, 101-106 |
| 2310030 | CIF Paper | Ba0.72 Ca0.279 Nb2 O6 | X4bm | 12.4529; 12.4529; 7.9242 90; 90; 90 | 1228.84 | Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28) Acta Crystallographica Section B, 2012, 68, 101-106 |
| 2310031 | CIF Paper | Ga0.889 O4.222 Zn2.889 | C2/m(\a0\g)00 | 19.66; 3.2487; 1.6065 90; 105.9; 90 | 98.7 | Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~<i>n~+1</i> Acta Crystallographica Section B, 2012, 68, 250-260 |
| 2310032 | CIF Paper | Ca Mn7 O12 | R-3(00\g)0 | 10.44365; 10.44365; 6.343562 90; 90; 120 | 599.195 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310033 | CIF Paper | Ca Mn7 O12 | R3(00\g)t | 10.443658; 10.443658; 6.343562 90; 90; 120 | 599.196 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310034 | CIF Paper | Ca Mn7 O12 | R31(00\g)ts | 10.4372; 10.4372; 6.3414 90; 90; 120 | 598.25 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310035 | CIF Paper | Ca Cu0.113 Mn6.887 O12 | R31(00\g)ts | 10.4312; 10.4312; 6.3417 90; 90; 120 | 597.59 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310036 | CIF Paper | Ca Mn7 O12 | R31(00\g)ts | 10.4452; 10.4452; 6.3453 90; 90; 120 | 599.54 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310037 | CIF Paper | Ca Cu0.246 Mn6.754 O12 | R31(00\g)ts | 10.403; 10.403; 6.334 90; 90; 120 | 593.6 | Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B, 2012, 68, 240-249 |
| 2310038 | CIF Paper | Bi14 Fe12 O61 Sr21 | X2/m(\a0\g)0s | 3.5905; 5.4903; 3.4954 90; 81.8989; 90 | 68.217 | Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B, 2012, 68, 341-355 |
| 2310039 | CIF Paper | Bi0.737 Mo0.263 O1.895 | F2(\a0\g)0 | 5.66785; 5.64098; 5.45603 90; 89.6677; 90 | 174.439 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310040 | CIF Paper | Bi0.75 Mo0.25 O1.875 | F2/m(\a0\g)0s | 5.70284; 5.64841; 5.46579 90; 89.5999; 90 | 176.06 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310041 | CIF Paper | Bi0.769 Mo0.231 O1.846 | F2(\a0\g)0 | 5.76634; 5.64745; 5.46529 90; 89.7935; 90 | 177.977 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310042 | CIF Paper | Bi0.727 Mo0.273 O1.909 | F2/m(\a0\g)0s | 5.64477; 5.63038; 5.4499 90; 89.7498; 90 | 173.208 | Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) Acta Crystallographica Section B, 2012, 68, 323-340 |
| 2310043 | CIF Paper | Bi12 Fe10 O52 Sr18 | X2/m(\a0\g)0s | 3.6174; 5.48; 3.4641 90; 81.2438; 90 | 67.87 | Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B, 2012, 68, 341-355 |
| 2310050 | CIF Paper | Ag0.034 In0.037 Sb0.764 Te0.165 | R-3m(00\g)00 | 4.3037; 4.3037; 5.6452 90; 90; 120 | 90.551 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
| 2310057 | CIF Paper | Sb0.87 Te0.13 | R-3m(00\g)00 | 4.3181; 4.3181; 5.7267 90; 90; 120 | 92.474 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
| 2310058 | CIF Paper | Sb0.89 Te0.11 | R-3m(00\g)00 | 4.29686; 4.29686; 5.6759 90; 90; 120 | 90.754 | Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B, 2012, 68, 559-570 |
| 2310129 | CIF HKL Paper | C6 H8 O2 | C 1 2/m 1 | 12.402; 6.47; 6.321 90; 93.69; 90 | 506.2 | Nassour, Ayoub; Kubicki, Maciej; Wright, Jonathan; Borowiak, Teresa; Dutkiewicz, Grzegorz; Lecomte, Claude; Jelsch, Christian Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 197-211 |
| 2310153 | CIF HKL Paper | C32 H36 N8 O7 S | P -1 | 8.4454; 10.9223; 18.4436 90.268; 94.002; 106.255 | 1628.78 | van de Streek, Jacco Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 89-94 |
| 2310154 | CIF HKL Paper | As39.51 Pb6.13 S136 Sb41.51 Tl16.85 | P 1 | 8.5197; 42.461; 16.293 83.351; 90.958; 84.275 | 5823 | Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude Structure of Pb-rich chabournéite from Jas Roux, France. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 81-88 |
| 2310155 | CIF HKL Paper | C0.6 O49.2 Si24 | P 1 21/n 1 | 13.376; 20.111; 19.878 90; 90.003; 90 | 5347.3 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310156 | CIF HKL Paper | C0.14 O48.27 Si24 | P 1 21/n 1 | 13.383; 20.118; 19.887 90; 90.049; 90 | 5354.4 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310157 | CIF HKL Paper | C0.6 O49.2 Si24 | P 1 21/n 1 | 13.388; 20.132; 19.902 90; 90.04; 90 | 5364.1 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310158 | CIF HKL Paper | C1.1 O50.2 Si24 | P 1 21/n 1 | 13.383; 20.121; 19.881 90; 90.057; 90 | 5353.5 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310159 | CIF HKL Paper | C1.1 O48.5 Si24 | P 1 21/n 1 | 13.386; 20.106; 19.881 90; 90.02; 90 | 5350.8 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310160 | CIF HKL Paper | C2 O49 Si24 | P 1 21/n 1 | 13.381; 20.107; 19.875 90; 90.023; 90 | 5347.4 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310161 | CIF HKL Paper | C0.4 O48.2 Si24 | P 1 21/n 1 | 13.383; 20.108; 19.877 90; 90.003; 90 | 5349 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310162 | CIF HKL Paper | C0.5 O48.2 Si24 | P 1 21/n 1 | 13.385; 20.11; 19.881 90; 90.041; 90 | 5351.4 | Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118 |
| 2310163 | CIF HKL Paper | C4 H16 Ca O12 | P 21 21 2 | 7.739; 12.803; 5.829 90; 90; 90 | 577.551 | Ventruti, Gennaro; Scordari, Fernando; Bellatreccia, Fabio; Della Ventura, Giancarlo; Sodo, Armida Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 68-73 |
| 2310735 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.827; 5.218; 5.537 90; 90; 90.02 | 226.1 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310736 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8266; 5.2203; 5.5404 90; 90; 89.988 | 226.37 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310737 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8295; 5.2213; 5.5418 90; 90; 89.994 | 226.55 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310738 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8339; 5.2222; 5.5444 90; 90; 90.007 | 226.82 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310739 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.837; 5.2237; 5.5459 90; 90; 90.001 | 227.04 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310740 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8394; 5.2244; 5.5468 90; 90; 89.997 | 227.18 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310741 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8422; 5.2254; 5.5484 90; 90; 89.998 | 227.37 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310742 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.821; 5.2697; 5.5468 90; 90; 90.02 | 228.61 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310743 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8248; 5.2721; 5.5483 90; 90; 90.007 | 228.88 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310744 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8267; 5.2714; 5.5503 90; 90; 90.019 | 228.99 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310745 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8302; 5.2737; 5.5518 90; 90; 90.001 | 229.26 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310746 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8367; 5.2775; 5.5561 90; 90; 90.044 | 229.79 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310747 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8339; 5.2752; 5.552 90; 90; 89.99 | 229.44 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310748 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8379; 5.2768; 5.5545 90; 90; 89.996 | 229.73 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
| 2310756 | CIF | F Mg2 O4 P | P 1 21/n 1 | 12.7628; 12.6564; 9.6348 90; 117.6; 90 | 1379.22 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
| 2310757 | CIF | F Fe1.078 Mg0.922 O4 P | C 1 2/c 1 | 13.0183; 6.4149; 9.8411 90; 118.562; 90 | 721.823 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
| 2310758 | CIF | F Fe0.649 Mg1.351 O4 P | C 1 2/c 1 | 12.884; 6.3889; 9.7384 90; 117.799; 90 | 709.098 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
| 2310759 | CIF | F Fe0.185 Mg1.815 O4 P | C 1 2/c 1 | 12.7978; 6.3523; 9.6642 90; 117.567; 90 | 696.46 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
| 2310760 | CIF | F Fe0.029 Mg1.971 O4 P | C 1 2/c 1 | 12.7707; 6.3394; 9.6462 90; 117.524; 90 | 692.553 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
| 2310761 | CIF | F Fe0 Mg2 O4 P | C 1 2/c 1 | 12.7633; 6.3282; 9.635 90; 117.599; 90 | 689.66 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
| 2310762 | CIF Paper | Ba0.761 Ca0.239 Nb2 O6 | C m m 2 (2*c,a,b) | 7.9429; 17.624; 17.6229 90; 90; 90 | 2466.95 | Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749 |
| 2310763 | CIF Paper | Ba0.761 Ca0.239 Nb2 O6 | P 4 b m (a,b,2*c) | 12.4476; 12.4476; 7.9291 90; 90; 90 | 1228.56 | Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749 |
| 2310764 | CIF Paper | Ba0.693 Ca0.307 Nb2 O6 | P 4 b m (a,b,2*c) | 12.4608; 12.4608; 7.9185 90; 90; 90 | 1229.52 | Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749 |
| 2310765 | CIF Paper | C17 H22 F N O2 | P 1 21/n 1 | 10.8498; 6.5247; 21.3826 90; 98.246; 90 | 1498.06 | Schönleber, Andreas; van Smaalen, Sander; Weiss, Hans Christoph; Kesel, Andreas J. N-H...O and C-H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan-1-ammonium 4-fluorobenzoate. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 652-659 |
| 2310766 | CIF Paper | C18 H10 Cl2 N2 O4 | P 1 21 1 | 12.372; 3.7649; 16.831 90; 107.789; 90 | 746.49 | Noohinejad, Leila; Mondal, Swastik; Ali, Sk Imran; Dey, Somnath; van Smaalen, Sander; Schönleber, Andreas Resonance-stabilized partial proton transfer in hydrogen bonds of incommensurate phenazine-chloranilic acid Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 228-234 |
| 2310767 | CIF Paper | B3.041 O10.479 Si0.959 Sr4 | P n m a | 12.2774; 3.9006; 5.4091 90; 90; 90 | 259.038 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
| 2310768 | CIF Paper | B3.376 O10.312 Si0.624 Sr4 | P n m a | 12.178; 3.8801; 5.387 90; 90; 90 | 254.55 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
| 2310769 | CIF Paper | B3.704 O10.148 Si0.296 Sr4 | P n m a | 12.089; 3.8635; 5.378 90; 90; 90 | 251.184 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
| 2310770 | CIF Paper | Cu3 Sn | C m c m | 5.521; 47.781; 4.334 90; 90; 90 | 1143.3 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310771 | CIF Paper | Cu3 Sn | C m c m | 5.5185; 47.768; 4.332 90; 90; 90 | 1141.95 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310772 | CIF Paper | Cu3 Sn | C m c m | 5.5196; 38.2386; 4.3321 90; 90; 90 | 914.34 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310773 | CIF Paper | Cu3 Sn | C m c m | 5.5184; 38.2337; 4.3326 90; 90; 90 | 914.13 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310774 | CIF Paper | Cu3 Sn | C m c m | 5.5199; 47.7904; 4.3326 90; 90; 90 | 1142.93 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310775 | CIF Paper | Cu3.048 Sn0.952 | P m m a (2*b+1/4,c,a-1/3) | 5.528; 4.783; 4.3391 90; 90; 90 | 114.73 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310776 | CIF Paper | Cu3.027 Sn0.973 | P m m a (2*b+1/4,c,a-1/3) | 5.525; 4.781; 4.3385 90; 90; 90 | 114.6 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310777 | CIF Paper | Cu3.031 Sn0.969 | P m m a (2*b+1/4,c,a-1/3) | 5.529; 4.787; 4.3381 90; 90; 90 | 114.82 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310778 | CIF Paper | Cu3.022 Sn0.978 | P m m a (2*b+1/4,c,a-1/3) | 5.523; 4.783; 4.336 90; 90; 90 | 114.54 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310779 | CIF Paper | Cu3.013 Sn0.987 | P m m a (2*b,c,a) | 5.529; 4.788; 4.3411 90; 90; 90 | 114.92 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
| 2310780 | CIF Paper | Bi0.097 Fe1.049 O2.585 Pb0.856 | I 1 2/m 1 | 3.93492; 3.93193; 4.00171 90; 92.603; 90 | 61.85 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310781 | CIF Paper | Bi0.195 Fe1.046 O2.633 Pb0.763 | I 1 2/m 1 | 3.92822; 3.92661; 4.05202 90; 92.209; 90 | 62.454 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310782 | CIF Paper | Bi0.292 Fe1.042 O2.675 Pb0.671 | I 1 2/m 1 | 3.92131; 3.91951; 4.09255 90; 91.913; 90 | 62.866 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310783 | CIF Paper | Bi0.428 Fe1.034 O2.736 Pb0.541 | I 1 2/m 1 | 3.9146; 3.91271; 4.13775 90; 91.554; 90 | 63.353 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310784 | CIF Paper | Bi0.545 Fe1.027 O2.783 Pb0.428 | I 1 2/m 1 | 3.90908; 3.90585; 4.16564 90; 91.318; 90 | 63.585 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
| 2310785 | CIF Paper | Al4.8 O9.6 Si1.2 | P b a m | 7.5911; 7.6924; 2.8899 90; 90; 90 | 168.752 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
| 2310786 | CIF Paper | Al4.78 O9.61 Si1.22 | P b a m | 7.5757; 7.6651; 2.885 90; 90; 90 | 167.528 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
| 2310787 | CIF | O7 P2 Zn2 | I 1 2/c 1 | 20.1131; 8.2769; 9.109 90; 106.338; 90 | 1455.2 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310788 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6082; 8.2821; 4.5238 90; 105.439; 90 | 238.652 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310789 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6053; 8.2821; 4.5243 90; 105.416; 90 | 238.6 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310790 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6041; 8.2827; 4.5249 90; 105.406; 90 | 238.617 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310791 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6036; 8.283; 4.525 90; 105.403; 90 | 238.617 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310792 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6025; 8.2826; 4.5251 90; 105.4; 90 | 238.575 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310793 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6018; 8.2835; 4.526 90; 105.391; 90 | 238.633 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310794 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6011; 8.2839; 4.5266 90; 105.387; 90 | 238.655 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2310795 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.5998; 8.2845; 4.53 90; 105.335; 90 | 238.86 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
| 2311256 | CIF | C21 H26 N2 O3 | P 21 21 21 | 7.633; 14.455; 16.504 90; 90; 90 | 1821 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311257 | CIF | C18 H25 O2.5 | P 21 21 2 | 12.056; 19.225; 6.519 90; 90; 90 | 1511 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311258 | CIF | C5 H10 N2 O3 | P 21 21 21 | 5.094; 7.745; 15.941 90; 90; 90 | 628.9 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311259 | CIF | C21 H22 N2 | P 21 21 21 | 8.54; 11.086; 17.344 90; 90; 90 | 1642 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311260 | CIF | C21 H29 N3 | P 21 21 21 | 8.513; 11.527; 17.855 90; 90; 90 | 1752.1 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311261 | CIF | C3 H7 N O2 | P 21 21 21 | 5.791; 5.944; 12.269 90; 90; 90 | 422.3 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311262 | CIF | C19 H26 N6 O | P 21 21 21 | 11.25751; 15.43442; 22.52516 90; 90; 90 | 3913.82 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311263 | CIF | C14 H19 N O | P 21 21 21 | 6.816; 8.446; 21.186 90; 90; 90 | 1219.6 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311264 | CIF | C16 H18 N2 | P 1 21 1 | 8.529; 12.793; 12.018 90; 94.386; 90 | 1307.5 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311265 | CIF | C16 H18 N2 | P 32 | 11.7721; 11.7721; 8.0824 90; 90; 120 | 970.02 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311266 | CIF | C19 H18 N2 | P 31 | 12.094; 12.094; 8.551 90; 90; 120 | 1083.1 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311267 | CIF | C21 H22 N2 | P 21 21 21 | 6.0196; 12.7041; 21.6151 90; 90; 90 | 1652.98 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311268 | CIF | C16 H20 N2 O | P 21 21 21 | 8.695; 10.114; 15.544 90; 90; 90 | 1367 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311269 | CIF | C25 H31 N O5 | P 21 21 21 | 8.414; 13.76; 19.299 90; 90; 90 | 2234.4 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311270 | CIF | C27 H48 | P 1 21 1 | 11.375; 10.878; 19.501 90; 104.237; 90 | 2338.9 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311271 | CIF | C19 H26 N6 O | P 21 21 21 | 11.25467; 15.43831; 22.51824 90; 90; 90 | 3912.61 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
| 2311272 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2223; 10.483; 17.327 90; 109.573; 90 | 1236 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
| 2311273 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2264; 10.487; 17.33 90; 109.579; 90 | 1237.4 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
| 2311274 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2389; 10.497; 17.349 90; 109.522; 90 | 1242.5 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
| 2311275 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2604; 10.502; 17.388 90; 109.423; 90 | 1250.4 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
| 2311276 | CIF | C21 H35 Cl N O2 P2 Re | P 1 21/c 1 | 9.6475; 10.7392; 25.629 90; 68.684; 90 | 2473.7 | Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl]. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949 |
| 2311277 | CIF | C21 H35 Cl N O2 P2 Re | I 1 2/a 1 | 18.6854; 10.7708; 25.599 90; 107.48; 90 | 4914.1 | Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl]. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949 |
| 2311629 | CIF | C19 H20 Cl N O6 | P 1 21 1 | 11.783; 8.5387; 19.297 90; 96.03; 90 | 1930.8 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
| 2311630 | CIF | C18 H20 Cl N O8 | P 21 21 21 | 8.5456; 11.74; 19.269 90; 90; 90 | 1933.2 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
| 2311631 | CIF | C18 H19.5 Cl N0.5 O7 | P 21 21 21 | 8.6852; 15.047; 27.605 90; 90; 90 | 3607.6 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
| 2311632 | CIF | C19 H22 Cl N O8 | C 1 2 1 | 21.931; 8.6541; 11.797 90; 117.57; 90 | 1984.7 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
| 2311633 | CIF Paper | C6 F10 | P 1 21/n 1 | 11.9302; 7.2371; 9.6574 90; 113.408; 90 | 765.2 | Solovyov, Leonid A.; Fedorov, Alexandr S.; Kuzubov, Aleksandr A. Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 395-397 |
| 2311634 | CIF Paper | C13 H10 N4 | P 1 21/c 1 | 22.6348; 5.825; 17.8421 90; 113.007; 90 | 2165.32 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311635 | CIF | C13 H9 F N4 | P 1 21/c 1 | 12.2031; 7.9798; 11.6329 90; 104.043; 90 | 1098.94 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311636 | CIF | C13 H9 Cl N4 | C 1 2/c 1 | 16; 5.9258; 24.3829 90; 93.109; 90 | 2308.4 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311637 | CIF | C14 H12 N4 | P 1 21 1 | 5.7797; 6.7414; 15.0259 90; 92.359; 90 | 584.96 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311638 | CIF | C14 H9 F3 N4 | P -1 | 5.746; 7.2076; 15.2997 103.045; 98.768; 92.29 | 608.25 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311639 | CIF | C14 H9 N5 | C 1 2/c 1 | 16.0427; 5.8677; 24.487 90; 92.354; 90 | 2303.1 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311640 | CIF | C14 H12 N4 O | P 1 | 3.7837; 10.8502; 15.22 109.226; 97.056; 91.514 | 584.03 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311641 | CIF Paper | C14 H10 N4 O2 | P 1 21/c 1 | 10.597; 14.471; 7.7343 90; 90.121; 90 | 1186 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
| 2311642 | CIF Paper | C20 H18 Cl2 F3 N3 O2 S | P -1 | 7.7005; 11.2405; 13.7322 111.249; 90.907; 99.769 | 1087.88 | Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 681-696 |
| 2311643 | CIF | C19 H20 Br Cl2 N3 O3 | P 1 21/c 1 | 14.8702; 8.091; 17.7304 90; 92.203; 90 | 2131.7 | Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 681-696 |
| 2311644 | CIF Paper | C44 H56 F2 N6 O14 | P -1 | 9.4994; 14.3694; 18.1458 103.853; 96.528; 106.946 | 2255.11 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
| 2311645 | CIF | C41 H57 F2 N6 O21 | P -1 | 7.4031; 9.7515; 30.9801 88.088; 85.673; 81.38 | 2204.38 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
| 2311646 | CIF | C23 H26 F N3 O7 | P 1 21/c 1 | 8.0761; 14.7184; 18.777 90; 99.269; 90 | 2202.83 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
| 2311647 | CIF | C21 H30 F N3 O10 S | P -1 | 9.041; 10.767; 12.438 89.118; 81.88; 74.64 | 1155.5 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
| 2311648 | CIF | C26 H23 F N3 O10 S | P b c a | 11.6515; 7.4209; 61.8325 90; 90; 90 | 5346.3 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
| 2311649 | CIF | C23 H26 F N3 O7 | P -1 | 7.0237; 9.9645; 17.4655 91.1; 97.543; 109.906 | 1136.71 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
| 2311650 | CIF | C23 H26 F N3 O7 | P -1 | 7.3258; 19.8297; 23.9108 96.924; 97.21; 96.143 | 3394.48 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
| 2311651 | CIF | C6 H10 O4 | C 1 2/c 1 | 12.555; 6.16; 14.163 90; 139.71; 90 | 708.3 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
| 2311652 | CIF | C8 H14 O4 | C 1 2/c 1 | 11.953; 8.714; 9.039 90; 98.367; 90 | 931.5 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
| 2311653 | CIF | C10 H18 O4 | P -1 | 4.3722; 7.829; 8.718 113.011; 90.935; 97.047 | 271.92 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
| 2311654 | CIF | C12 H22 O4 | P 1 21/c 1 | 10.64; 4.2351; 15.758 90; 112.61; 90 | 655.5 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
| 2311655 | CIF | C10 H14 O4 | P 1 21/c 1 | 8.808; 8.553; 6.86 90; 97.58; 90 | 512.3 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
| 2311656 | CIF | C18 H18 O4 | P b c a | 10.219; 8.26; 17.923 90; 90; 90 | 1512.9 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
| 2311657 | CIF Paper | C42 H46 N2 Ni O4 P2 S4 | P 1 21/n 1 | 11.7905; 14.4443; 12.8825 90; 105.195; 90 | 2117.26 | Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 761-767 |
| 2311658 | CIF | C46 H54 N2 Ni O4 P2 S4 | P -1 | 9.5505; 9.801; 14.2026 99.315; 98.447; 112.821 | 1176.64 | Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 761-767 |
| 2311659 | CIF | C46 H54 N2 Ni O4 P2 S4 | P -1 | 6.9327; 11.2267; 15.5768 102.744; 94.409; 103.785 | 1137.67 | Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 761-767 |
| 2311660 | CIF Paper | C23 H22 N2 O2 | P 1 21/c 1 | 4.81; 20.601; 18.831 90; 91.95; 90 | 1864.9 | Kaczmarek, Małgorzata T; Kubicki, Maciej The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 792-800 |
| 2311661 | CIF | C23 H22 N2 O2 | P 1 21/c 1 | 21.694; 12.599; 21.236 90; 93.38; 90 | 5794.2 | Kaczmarek, Małgorzata T; Kubicki, Maciej The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 792-800 |
| 2311662 | CIF | C23 H22 N2 O2 | P 1 21 1 | 9.464; 20.64; 19.219 90; 103.93; 90 | 3643.8 | Kaczmarek, Małgorzata T; Kubicki, Maciej The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 792-800 |
| 2311663 | CIF Paper | C5 H4 Fe N6 Na2 O3 | P n n m | 6.14102; 11.8451; 15.5509 90; 90; 90 | 1131.19 | Wenger, Emmanuel; Dahaoui, Slimane; Alle, Paul; Parois, Pascal; Palin, Cyril; Lecomte, Claude; Schaniel, Dominik XPAD X-ray hybrid pixel detector for charge density quality diffracted intensities on laboratory equipment. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 783-791 |
| 2311664 | CIF Paper | C4 H11 N O10 | P -1 | 6.2372; 7.1935; 10.4745 94.5207; 99.8882; 96.7177 | 457.45 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Dobrzycki, Lukasz; Cyrański, Michał K First experimental charge density study using a Bruker CMOS-type PHOTON 100 detector: the case of ammonium tetraoxalate dihydrate. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 847-855 |
| 2311665 | CIF Paper | C1.29 H7.59 Au Cl4 O2 | P -1 | 8.0454; 8.0457; 10.291 94.31; 104.08; 109.21 | 601.3 | Kubus, Mariusz; Ströbele, Markus; Meyer, H Jürgen Structure of a new chloroauric acid. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 897-899 |
| 2311666 | CIF | C14 H15 N4 O4 P | P -1 | 9.2849; 10.835; 15.295 89.96; 84.78; 80.54 | 1511.3 | Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185 |
| 2311667 | CIF Paper | C36 H42 Ce N7 O15 P2 | P 1 21/n 1 | 14.8817; 15.9332; 36.7289 90; 96.133; 90 | 8659.1 | Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185 |
| 2311668 | CIF | C36 H42 Eu N7 O15 P2 | P 1 21/n 1 | 14.8395; 15.8178; 36.7471 90; 96.168; 90 | 8575.6 | Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185 |
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