Crystallography Open Database

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2108640 CIF
HKL
C22 H17 F4 N OP 1 21/c 112.947; 10.4113; 22.59
90; 145.306; 90
1733.2Singla, 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 CIFC22 H17 F4 N OP -111.137; 11.8983; 15.127
73.675; 71.73; 72.936
1779.74Singla, 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 OP -110.6975; 13.2186; 13.6339
68.667; 80.428; 81.09
1761.4Singla, 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 OP 1 21/c 111.322; 12.437; 20.012
90; 140.922; 90
1776.4Singla, 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 OP b c a10.3744; 16.379; 19.851
90; 90; 90
3373.1Singla, 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 O4B 1 21 115.5993; 49.062; 15.6099
90; 119.896; 90
10357Nespolo, 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 SmC 1 2/c 17.2386; 9.3412; 11.1013
90; 103.224; 90
730.73Oreshonkov, 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 CIFB4 Ca3 Eu2 O12P n m a7.20378; 15.57492; 8.63406
90; 90; 90
968.727Kosyl, 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 O5P b a m9.3914; 12.3034; 3.0697
90; 90; 90
354.69Biryukov, 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 O5P b a m9.425; 12.3528; 3.0799
90; 90; 90
358.58Biryukov, 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 CIFC2 D10 O3 SP 1 21/c 16.30238; 9.05654; 11.22025
90; 105.969; 90
615.714Fortes, 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 CIFC2 D12 O4 SP 1 21/c 110.266194; 7.01113; 10.068968
90; 101.503; 90
710.183Fortes, 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 NaF m -3 m5.6035; 5.6035; 5.6035
90; 90; 90
175.95Tsirelson, Vladimir; Stash, Adam
Orbital-free quantum crystallography: view on forces in crystals
Acta Crystallographica Section B, 2020, 76
2108653 CIFF120 Ga20 K60I 41/a :219.1124; 19.1124; 34.4165
90; 90; 90
12571.8King, 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 CIFF30 Ga5 K15I 4/m13.6088; 13.6088; 8.6764
90; 90; 90
1606.86King, 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 CIFF6 Ga K3F m -3 m8.6649; 8.6649; 8.6649
90; 90; 90
650.565King, 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 SC 1 2 115.366; 16.035; 14.327
90; 91.21; 90
3529.3Van 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 O40I 4 2 221.91; 21.91; 25.44
90; 90; 90
12212Gilski, 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 O4C 1 2/c 112.741; 7.7542; 29.3961
90; 98.6; 90
2871.57Mali, 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 O4P 1 21/c 17.3324; 29.277; 7.4171
90; 117.402; 90
1413.6Mali, 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 O4P -17.119; 7.2678; 15.0171
78.012; 82.182; 66.007
693.2Mali, 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 O4P 1 21/c 17.3901; 25.1748; 8.0438
90; 108.992; 90
1415.04Mali, 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 O4P -113.1277; 13.977; 17.802
80.629; 82.485; 62.419
2850.8Mali, 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 Ru2P -18.0548; 10.7806; 13.7195
78.551; 80.825; 72.1629
1105.28Mudiyanselage, 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 O24R -3 c :H14.279; 14.279; 19.7589
90; 90; 120
3488.9Gulyaeva, 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 O24R -3 c :H14.2719; 14.2719; 19.8063
90; 90; 120
3493.8Gulyaeva, 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 O24R -3 c :H14.4528; 14.4528; 19.8894
90; 90; 120
3597.96Gulyaeva, 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 O24R -3 c :H14.4673; 14.4673; 19.9186
90; 90; 120
3610.5Gulyaeva, 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 O24R -3 c :H14.4638; 14.4638; 19.8369
90; 90; 120
3593.93Gulyaeva, 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 O24R -3 c :H14.3541; 14.3541; 19.7338
90; 90; 120
3521.22Gulyaeva, 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 P2P n n a7.014; 8.361; 14.389
90; 90; 90
843.8Budzikur, 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 P2P n n a6.962; 8.368; 14.388
90; 90; 90
838.2Budzikur, 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 P2P 21/n 1 113.673; 8.396; 14.317
90.57; 90; 90
1643.5Budzikur, 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 P2P 43 21 28.966; 8.966; 15.462
90; 90; 90
1243Budzikur, 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 O6P 1 21 16.49617; 7.41888; 23.587
90; 92.9418; 90
1135.26Khalaji, 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 O8P 21 21 216.428; 6.987; 52.001
90; 90; 90
2335.5Khalaji, 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 CIFC23 H26 F N3 O8P 21 21 214.7535; 15.801; 29.855
90; 90; 90
2242.41Khalaji, 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 O17.25P 21 21 230.3989; 16.1024; 9.66944
90; 90; 90
4733.14Khalaji, 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 O10P 1 21 116.78184; 15.47624; 19.5982
90; 105.758; 90
4898.74Khalaji, 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 CIFCu Ge9 O24 Sr5P 1 2/c 111.8817; 8.19277; 10.3237
90; 101.597; 90
984.43Klein, 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 O8P 21 21 229.1612; 9.207; 4.7387
90; 90; 90
1272.28Evtushenko, 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 O8P 21 21 229.0583; 9.15479; 4.70223
90; 90; 90
1250.9Evtushenko, 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 Zn2C 1 2/c 116.1681; 16.261; 13.7893
90; 110.508; 90
3395.6Zhang, 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 Zn2P -110.07; 12.144; 14.172
104.63; 105.637; 109.156
1461.6Zhang, 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 Zn2P -17.8759; 8.0318; 20.59
86.441; 88.986; 72.182
1237.6Zhang, 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 O9P -111.2042; 11.2728; 11.7208
109.537; 97.561; 110.368
1255.34Zhang, 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 O11P -19.2229; 12.2226; 13.073
112.261; 106.134; 97.765
1261.3Zhang, 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 O18P 1 21/c 131.055; 23.792; 16.54
90; 94.255; 90
12187Zhang, 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 O10P -112.068; 14.523; 14.662
68.654; 79.061; 75.13
2300Zhang, 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 CIFC26 H33 N O2P 21 21 217.4313; 9.6383; 29.8978
90; 90; 90
2141.43Korlyukov, 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 O2P 21 21 217.4313; 9.6383; 29.8978
90; 90; 90
2141.43Korlyukov, 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 O7I m m m3.959; 13.453; 3.969
90; 90; 90
211.39Volkov, 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 CIFCa0.1 Fe La0.9 O3P n m a5.558528; 7.837216; 5.547272
90; 90; 90
241.658Lindenthal, 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 CIFCa0.4 Fe La0.6 O3P n m a5.506428; 7.77618; 5.529845
90; 90; 90
236.782Lindenthal, 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 CIFCa0.1 Fe Nd0.9 O3P n m a5.568011; 7.756535; 5.451495
90; 90; 90
235.442Lindenthal, 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 CIFCa0.4 Fe Nd0.6 O3P n m a5.533425; 7.725984; 5.448728
90; 90; 90
232.939Lindenthal, 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 CIFCa0.12 Fe La0.88 O3P 17.860187; 7.839117; 7.860187
90; 89.7476; 90
484.316Lindenthal, 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 CIFCa0.5 Fe La0.5 O3P -15.570218; 7.839117; 5.545738
90; 90; 90
242.158Lindenthal, 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 CIFCa0.12 Fe Nd0.88 O3P 17.793071; 7.757502; 7.793071
90; 88.7865; 90
471.023Lindenthal, 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 CIFCa0.5 Fe Nd0.5 O3P -15.56858; 7.757502; 5.451869
90; 90; 90
235.511Lindenthal, 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 Te1.933P 4/n m m :14.5226; 4.5226; 9.147
90; 90; 90
187.09Poddig, 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 Te1.942P 4/n m m :14.4535; 4.4535; 9.047
90; 90; 90
179.44Poddig, 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 Te1.923P 4/n m m :14.4274; 4.4274; 9.029
90; 90; 90
176.99Poddig, 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 N7P 1 21/c 18.1016; 18.473; 9.04
90; 95.91; 90
1346Olejniczak, 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 N7P 1 21/c 18.089; 18.4614; 9.074
90; 96.08; 90
1347.4Olejniczak, 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 N7P 1 21/c 18.053; 18.47; 9.044
90; 95.4; 90
1339Olejniczak, 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 N7P 1 21/c 17.982; 18.318; 8.964
90; 95.08; 90
1305.5Olejniczak, 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 N7P 1 21/c 17.965; 18.251; 8.929
90; 94.85; 90
1293.4Olejniczak, 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 N7P 1 21/c 17.918; 18.223; 8.897
90; 94.6; 90
1280Olejniczak, 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 N7P 1 21/c 17.897; 18.1579; 8.874
90; 94.54; 90
1268.5Olejniczak, 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 N7P 1 21/c 17.8356; 18.074; 8.88
90; 94.24; 90
1254Olejniczak, 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 N7P 1 21/c 17.84; 18.094; 8.82
90; 94.13; 90
1248Olejniczak, 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 N7P 1 21/c 17.7755; 18.017; 8.75
90; 93.53; 90
1223Olejniczak, 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 O0.3I 41/a :228.1674; 28.1674; 4.15209
90; 90; 90
3294.28Olejniczak, 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 CIFC6 H5 N7 O0.4I 41/a :228.1659; 28.1659; 4.12335
90; 90; 90
3271.13Olejniczak, 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 O0.4I 41/a :228.1314; 28.1314; 4.09378
90; 90; 90
3239.72Olejniczak, 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 O0.4I 41/a :228.1081; 28.1081; 4.06918
90; 90; 90
3214.92Olejniczak, 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 O0.4I 41/a :228.0757; 28.0757; 4.04859
90; 90; 90
3191.28Olejniczak, 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 CIFC6 H5 N7 O0.5I 41/a :228.275; 28.275; 4.1124
90; 90; 90
3287.8Olejniczak, 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 CIFC6 H5 N7 O0.6I 41/a :228.18; 28.18; 4.0701
90; 90; 90
3232.1Olejniczak, 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 CIFC6 H5 N7 O0.5I 41/a :227.972; 27.972; 3.9991
90; 90; 90
3129Olejniczak, 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 SP c a 2154.285; 5.5843; 14.8411
90; 90; 90
4499Deptuch, 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 YbF m -3 m7.4598; 7.4598; 7.4598
90; 90; 90
415.128Bolotina, 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 YbF m -3 m7.46; 7.46; 7.46
90; 90; 90
415.161Bolotina, 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 YbF m -3 m7.4602; 7.4602; 7.4602
90; 90; 90
415.194Bolotina, 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 YbF m -3 m7.4603; 7.4603; 7.4603
90; 90; 90
415.211Bolotina, 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 YbF m -3 m7.4584; 7.4584; 7.4584
90; 90; 90
414.89Bolotina, 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 YbF m -3 m7.4585; 7.4585; 7.4585
90; 90; 90
414.911Bolotina, 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 YbF m -3 m7.4599; 7.4599; 7.4599
90; 90; 90
415.144Bolotina, 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 YbF m -3 m7.4608; 7.4608; 7.4608
90; 90; 90
415.295Bolotina, 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 YbF m -3 m7.4629; 7.4629; 7.4629
90; 90; 90
415.645Bolotina, 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 O3P 21 21 215.1732; 8.286; 22.264
90; 90; 90
954.3Guillén, 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 O3P 1 21/c 19.59; 8.67; 23.811
90; 94.364; 90
1974Guillén, 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 SP -19.4054; 10.4228; 11.9607
96.683; 95.288; 104.474
1118.59Andrusenko, 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 CIFC23 H26 N4 O SP -19.4051; 10.4236; 11.9619
96.686; 95.2878; 104.474
1118.74Andrusenko, 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 Sc2C 1 2/c 115.467; 8.9627; 9.1186
90; 124.144; 90
1046.2Redhammer, 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 Sc2C 1 2/c 115.5374; 8.9703; 22.5718
90; 89.9984; 90
3145.95Redhammer, 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 Sc2R -3 c :H8.9756; 8.9756; 22.6248
90; 90; 120
1578.49Redhammer, 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 Sc2R -3 c :H8.9671; 8.9671; 22.7622
90; 90; 120
1585.1Redhammer, 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 S2P 1 21/c 14.6455; 15.9427; 10.1908
90; 95.846; 90
750.82Sakthidharan, 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

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