Crystallography Open Database
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Searching journal of publication like 'CrystEngComm' volume of publication is 20
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1549180 | CIF | C28 H24 N8 O6 Pb2 | P 1 21/c 1 | 7.4785; 21.4405; 9.022 90; 94.218; 90 | 1442.69 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549181 | CIF | C16 H12 N6 O3 Pb2 S2 | P -1 | 8.5997; 10.9376; 11.7938 72.684; 80.451; 82.758 | 1040.9 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549182 | CIF | C12 H10 I2 N4 O Pb | P -1 | 6.6742; 7.8985; 16.794 82.614; 81.44; 65.269 | 792.99 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549183 | CIF | C28 H26 N10 O3 Pb S2 | P 1 21/c 1 | 15.4161; 13.7171; 14.9481 90; 94.944; 90 | 3149.23 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
1549188 | CIF | C62 H4 Br2 Cl2 | P 6/m m m | 10.056; 10.056; 10.07 90; 90; 120 | 881.9 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 CrystEngComm, 2018, 20, 2729 |
1549189 | CIF | C62 H4 Br2 Cl2 | C 1 2/m 1 | 9.9153; 17.412; 10.0478 90; 101.966; 90 | 1697 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 CrystEngComm, 2018, 20, 2729 |
1549717 | CIF | C39.5 H48.9 N6.5 O16.2 Zn2 | C 1 2/c 1 | 25.386; 25.15; 17.6282 90; 114.178; 90 | 10268 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
1549718 | CIF | C42.15 H54.35 Cd2 N6.05 O16.05 | C 1 2/c 1 | 26.4534; 24.3372; 17.6488 90; 109.622; 90 | 10702.5 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
7229477 | CIF | C28 H22 N2 O6 S2 | P -1 | 8.13783; 11.6634; 13.498 93.4739; 96.731; 103.882 | 1229.92 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229478 | CIF | C31 H27 N3 O6 S2 | P -1 | 8.62524; 12.5088; 13.0025 87.7507; 79.534; 85.0219 | 1373.92 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229479 | CIF | C72 H84 N4 O10 S4 | P -1 | 11.4757; 12.2489; 12.7795 85.3743; 76.109; 70.8493 | 1647.3 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229480 | CIF | C68 H74 N4 O10 S4 | P -1 | 10.9957; 12.0694; 12.8047 85.373; 73.757; 75.131 | 1576.8 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229481 | CIF | C68 H76 N4 O12 S4 | P -1 | 10.9459; 12.1089; 12.9588 84.1094; 72.953; 74.0952 | 1578.8 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229482 | CIF | C72 H84 N4 O10 S4 | P -1 | 11.0418; 12.4363; 12.5998 88.953; 77.1337; 77.137 | 1643.53 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229483 | CIF | C34 H34 N2 O6 S2 | P 1 21/c 1 | 11.6922; 20.8466; 13.0536 90; 101.529; 90 | 3117.53 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229484 | CIF | C30 H25 N3 O6 S2 | P -1 | 8.70878; 12.5376; 12.6766 86.7619; 79.087; 86.3097 | 1354.89 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229485 | CIF | C78 H96 N4 O10 S4 | P 1 21/n 1 | 14.0762; 11.0705; 23.2945 90; 92.1146; 90 | 3627.52 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229486 | CIF | C68 H70 N6 O10 S4 | P -1 | 10.9203; 11.9997; 12.8965 84.6483; 73.4045; 75.8535 | 1569.95 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229487 | CIF | C70 H82 N4 O10 S4 | P -1 | 11.2092; 12.181; 12.8326 85.505; 74.8198; 73.1335 | 1618.27 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229488 | CIF | C66 H70 F2 N4 O10 S4 | P -1 | 10.9315; 12.0707; 12.7651 84.8346; 72.9469; 75.4678 | 1558.54 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229489 | CIF | C77 H93 Cl3 N4 O10 S4 | P -1 | 14.1225; 17.0279; 17.493 81.2059; 69.2791; 72.4461 | 3746.3 | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones CrystEngComm, 2018, 20, 17 |
7229504 | CIF | C36 H50 Co2 N4 O12 | P 1 21/c 1 | 10.875; 13.212; 13.585 90; 101.227; 90 | 1914.5 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229505 | CIF | C35 H46 Cd2 N4 O11 | P 1 21 1 | 11.1974; 14.7981; 12.0119 90; 112.731; 90 | 1835.8 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229506 | CIF | C35 H46 Co2 N4 O11 | P 1 21 1 | 10.3191; 13.4103; 13.1239 90; 93.368; 90 | 1813 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229507 | CIF | C37 H52 Co2 N4 O12 | P 1 21/c 1 | 11.653; 13.074; 13.802 90; 105.036; 90 | 2030.8 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229508 | CIF | C52 H73 Cd2 N8 O17 | P 1 21 1 | 13.2458; 10.4071; 19.9682 90; 91.592; 90 | 2751.6 | Przybyla, Jack J.; LaDuca, Robert L. Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes CrystEngComm, 2018, 20, 280 |
7229534 | CIF | C29 H28 N3 O5 S | P -1 | 7.5875; 11.9287; 15.8232 82.931; 78.678; 75.529 | 1355.58 | Hussain, Majid; Bauzá, Antonio; Frontera, Antonio; Lo, Kong Mun; Naseer, Muhammad Moazzam Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin CrystEngComm, 2018, 20, 150 |
7229561 | CIF | C22 H28 Cr Mo6 N6 O27 | P -1 | 6.021; 12.32; 13.294 77.871; 77.259; 79.486 | 930.75 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229562 | CIF | C28 H76 Co3 Cr2 Mo12 N6 O73 | P -1 | 12.3636; 13.0466; 14.4949 106.06; 97.818; 111.813 | 2009.83 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229563 | CIF | C25 H53 Co3 Cr Mo6 N6 O46 | C 1 2/c 1 | 25.9299; 9.8335; 24.7101 90; 117.076; 90 | 5610.1 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229564 | CIF | C32 H53 Cr Cu3 Mo6 N8 O41 | P -1 | 9.624; 13.716; 14.061 61.168; 70.68; 88.297 | 1515.4 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229565 | CIF | C24 H52 Cl Cr Cu3 Mo6 N6 O45 | C 1 2/c 1 | 26.323; 9.8415; 25.627 90; 117.922; 90 | 5866 | Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes CrystEngComm, 2018, 20, 51 |
7229607 | CIF | C24 H40 Fe P2 | C 1 2/c 1 | 16.744; 8.987; 31.956 90; 101.227; 90 | 4716.7 | Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P. Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions CrystEngComm, 2018, 20, 189 |
7229608 | CIF | C18 H11 N3 O9.5 Tb | P 1 21/c 1 | 14.3675; 8.2658; 18.64 90; 123.87; 90 | 1838 | Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P. Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions CrystEngComm, 2018, 20, 189 |
7229609 | CIF | C12 H10 F N3 O | P 1 21 1 | 9.6487; 5.2866; 11.1382 90; 110.361; 90 | 532.65 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229610 | CIF | C12 H11 N3 O | P 1 21/n 1 | 5.4917; 16.1489; 12.4976 90; 100.382; 90 | 1090.2 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229611 | CIF | C12 H10 Cl N3 O | P 1 21/c 1 | 6.168; 9.574; 19.477 90; 96.539; 90 | 1142.7 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229612 | CIF | C12 H10 Br N3 O | P 1 21/c 1 | 6.2398; 9.7185; 19.5527 90; 96.462; 90 | 1178.17 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229613 | CIF | C12 H10 I N3 O | P 21 21 21 | 4.7465; 9.9491; 26.6177 90; 90; 90 | 1256.98 | Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions CrystEngComm, 2018, 20, 96 |
7229622 | CIF | Au3.56 Ba Ga8.44 | I 4/m c m | 8.771; 8.771; 26.13 90; 90; 90 | 2010 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229623 | CIF | Au11.41 Gd2 Sb3.59 | I 4/m m m | 7.33; 7.33; 14.105 90; 90; 90 | 757.8 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229624 | CIF | Au11.98 Gd2 Sb3.02 | I 4/m m m | 7.307; 7.307; 14.0497 90; 90; 90 | 750.1 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229625 | CIF | Au4.38 Ba Ga7.62 | I 4/m c m | 8.774; 8.774; 26.064 90; 90; 90 | 2006.5 | Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348 |
7229628 | CIF | C13 H5 N3 S2 | P n a 21 | 7.8613; 24.495; 6.1207 90; 90; 90 | 1178.6 | Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M. The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes CrystEngComm, 2018, 20, 128 |
7229629 | CIF | C15 H7 N3 S2 | P 1 21/c 1 | 5.56; 14.516; 16.611 90; 93.872; 90 | 1338 | Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M. The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes CrystEngComm, 2018, 20, 128 |
7229630 | CIF | C31 H39 N3 S2 | P -1 | 9.1187; 10.6243; 16.361 73.912; 82.666; 70.835 | 1437.4 | Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M. The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes CrystEngComm, 2018, 20, 128 |
7229635 | CIF | C18 H28 N4 O4 | P 42/n :2 | 25.4312; 25.4312; 6.06772 90; 90; 90 | 3924.27 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
7229636 | CIF | C12 H22 N4 O2 | C 1 2/c 1 | 29.624; 6.0611; 8.6488 90; 101.974; 90 | 1519.14 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
7229637 | CIF | C12 H22 N4 O2 | F d d 2 | 16.185; 29.012; 6.093 90; 90; 90 | 2861 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
7229638 | CIF | C12 H22 N4 O2 | P 1 21/c 1 | 6.0552; 14.4565; 15.8765 90; 97.773; 90 | 1377.01 | Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring CrystEngComm, 2018, 20, 237 |
7229639 | CIF | C10 H21 N O5 | P 21 21 21 | 7.0282; 9.9007; 17.2379 90; 90; 90 | 1199.48 | Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C. Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol CrystEngComm, 2018, 20, 88 |
7229640 | CIF | C10 H21 N O5 | P 21 21 21 | 6.0781; 10.8821; 17.8535 90; 90; 90 | 1180.87 | Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C. Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol CrystEngComm, 2018, 20, 88 |
7229641 | CIF | C10 H21 N O5 | P 21 21 21 | 6.1053; 10.9507; 18.1001 90; 90; 90 | 1210.12 | Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C. Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol CrystEngComm, 2018, 20, 88 |
7229642 | CIF | C2 H6 K2 Mn2 O12 P2 | P 63/m | 9.7371; 9.7371; 22.4924 90; 90; 120 | 1846.82 | Orive, Joseba; Sivasamy, Ramesh; Fernández de Luis, Roberto; Mosquera, Edgar; Arriortua, María I. K2MnII2(H2O)2C2O4(HPO3)2: a new 2D manganese(ii) oxalatophosphite with double-layered honeycomb sheets stabilized by potassium ions CrystEngComm, 2018, 20, 301 |
7229643 | CIF | C43 H46 N2 | C 1 2/c 1 | 43.386; 4.9901; 15.449 90; 97.972; 90 | 3312.4 | Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds CrystEngComm, 2018, 20, 323 |
7229644 | CIF | C43 H48 Cl4 Cu N2 | C 1 2/c 1 | 16.811; 16.372; 15.924 90; 113.537; 90 | 4018.1 | Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds CrystEngComm, 2018, 20, 323 |
7229645 | CIF | C43 H48 Cl4 Co N2 | C 1 2/c 1 | 16.826; 16.442; 15.963 90; 112.175; 90 | 4090 | Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds CrystEngComm, 2018, 20, 323 |
7229646 | CIF | C43 H48 Cd Cl4 N2 | C 1 2/c 1 | 16.92; 16.352; 16.032 90; 113.205; 90 | 4076.8 | Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds CrystEngComm, 2018, 20, 323 |
7229647 | CIF | C45 H48 Cl2 N2 O2 | P -1 | 11.3233; 11.3295; 16.0792 92.539; 95.904; 96.359 | 2036 | Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds CrystEngComm, 2018, 20, 323 |
7229660 | CIF | C13 H13 N O Se | P 21 21 21 | 5.7537; 9.6831; 20.806 90; 90; 90 | 1159.2 | Holzer, Brigitte; Stöger, Berthold; Kautny, Paul; Reider, Georg; Hametner, Christian; Fröhlich, Johannes; Lumpi, Daniel A novel selenoalkenyl-isoxazole based donor-acceptor nonlinear optical material. CrystEngComm, 2018, 20, 12-16 |
7229662 | CIF | C2 Cl6 | P n m a | 11.5785; 10.1983; 6.3875 90; 90; 90 | 754.24 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Loose crystals engineered by mismatched halogen bonds in hexachloroethane CrystEngComm, 2018, 20, 328 |
7229663 | CIF | C2 Cl6 | P n m a | 11.2102; 10.0001; 6.33101 90; 90; 90 | 709.73 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Loose crystals engineered by mismatched halogen bonds in hexachloroethane CrystEngComm, 2018, 20, 328 |
7229664 | CIF | C2 Cl6 | P n m a | 10.618; 9.5461; 5.9958 90; 90; 90 | 607.74 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Loose crystals engineered by mismatched halogen bonds in hexachloroethane CrystEngComm, 2018, 20, 328 |
7229665 | CIF | C2 Cl6 | P n m a | 10.502; 9.4708; 5.93353 90; 90; 90 | 590.16 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Loose crystals engineered by mismatched halogen bonds in hexachloroethane CrystEngComm, 2018, 20, 328 |
7229666 | CIF | C2 Cl6 | P n m a | 10.864; 9.7573; 6.1183 90; 90; 90 | 648.6 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Loose crystals engineered by mismatched halogen bonds in hexachloroethane CrystEngComm, 2018, 20, 328 |
7229667 | CIF | C2 Cl6 | P n m a | 11.5358; 10.1791; 6.4013 90; 90; 90 | 751.67 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Loose crystals engineered by mismatched halogen bonds in hexachloroethane CrystEngComm, 2018, 20, 328 |
7229668 | CIF | C2 Cl6 | P n m a | 11.2254; 10.0086; 6.33713 90; 90; 90 | 711.98 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Loose crystals engineered by mismatched halogen bonds in hexachloroethane CrystEngComm, 2018, 20, 328 |
7229682 | CIF | C6 H24 Ag2 I4 Mn N6 | P 63 2 2 | 9.1366; 9.1366; 14.4247 90; 90; 120 | 1042.81 | Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine) CrystEngComm, 2018, 20, 356 |
7229683 | CIF | C6 H24 Ag2 I4 Mg N6 | P 63 2 2 | 9.0744; 9.0744; 14.453 90; 90; 120 | 1030.68 | Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine) CrystEngComm, 2018, 20, 356 |
7229684 | CIF | C10 H8 N2 O5 | P 1 21/c 1 | 8.8986; 7.9933; 14.175 90; 97.628; 90 | 999.3 | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions CrystEngComm, 2018, 20, 25 |
7229685 | CIF | C8 H7 N2 O3 | P -1 | 3.671; 7.594; 13.772 95.723; 93.218; 97.153 | 378.1 | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions CrystEngComm, 2018, 20, 25 |
7229686 | CIF | C13 H14 N8 O5 | P 1 21/c 1 | 17.184; 7.328; 13.045 90; 111.257; 90 | 1531 | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions CrystEngComm, 2018, 20, 25 |
7229687 | CIF | C10 H10 N2 O6 | P -1 | 7.2047; 7.5455; 10.8058 91.8; 100.509; 115.757 | 516.12 | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions CrystEngComm, 2018, 20, 25 |
7229688 | CIF | C13 H18 N8 O7 | P -1 | 5.7312; 12.3326; 12.8974 71.53; 86.574; 89.673 | 863.01 | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions CrystEngComm, 2018, 20, 25 |
7229689 | CIF | C13 H16 N8 O6 | P -1 | 8.6886; 8.9638; 11.2137 94.473; 103.931; 106.657 | 801.88 | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions CrystEngComm, 2018, 20, 25 |
7229690 | CIF | C21.5 H17 F3 N5 O4 S2 | P 1 21/c 1 | 11.4209; 20.5581; 9.97928 90; 91.597; 90 | 2342.15 | Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M. Cocrystal structure design for CH5134731 based on isomorphism CrystEngComm, 2018, 20, 362 |
7229691 | CIF | C21.5 H18 F3 N5 O3.5 S2 | P 1 21/c 1 | 11.2994; 20.5599; 10.11464 90; 92.3835; 90 | 2347.74 | Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M. Cocrystal structure design for CH5134731 based on isomorphism CrystEngComm, 2018, 20, 362 |
7229692 | CIF | C21.5 H18 F3 N5 O3.5 S2 | P 1 21/c 1 | 11.2642; 20.5587; 10.11845 90; 91.9094; 90 | 2341.9 | Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M. Cocrystal structure design for CH5134731 based on isomorphism CrystEngComm, 2018, 20, 362 |
7229693 | CIF | C21 H16.5 Cl0.5 F3 N5 O3 S2 | P 1 21/c 1 | 11.24851; 20.6292; 10.0577 90; 91.7969; 90 | 2332.72 | Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M. Cocrystal structure design for CH5134731 based on isomorphism CrystEngComm, 2018, 20, 362 |
7229722 | CIF | C104 H120 N18 O2 Ti2 | P 1 | 11.8378; 13.0103; 16.5916 67.729; 71.634; 78.1997 | 2233.7 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229723 | CIF | C59 H45 N10 O Ti | P 1 21/n 1 | 13.4984; 24.7177; 13.8468 90; 98.086; 90 | 4574.04 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229724 | CIF | C62 H72 Cl2 N9 O V | C 1 c 1 | 22.92; 11.7027; 21.2051 90; 95.783; 90 | 5658.8 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229725 | CIF | C39 H31 N10 O Ti | C 1 2/c 1 | 19.5955; 17.1171; 19.1812 90; 99.444; 90 | 6346.5 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229726 | CIF | C52 H60 N9 O V | P 1 | 11.8287; 13.0419; 16.6492 67.7; 71.527; 78.147 | 2243.27 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229727 | CIF | C46 H46 I N12 O Ti | P 1 21/c 1 | 12.5787; 13.0731; 25.4452 90; 91.733; 90 | 4182.4 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229728 | CIF | C46 H46 I N12 O V | P 1 21/c 1 | 12.5922; 13.0726; 25.407 90; 91.73; 90 | 4180.41 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229729 | CIF | C41 H33 N10 O V | P c c n | 11.8705; 31.689; 23.8325 90; 90; 90 | 8964.9 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229730 | CIF | C62 H72 Cl2 N9 O Ti | P 1 c 1 | 23.2181; 11.4301; 21.4414 90; 96.059; 90 | 5658.44 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties CrystEngComm, 2018, 20, 385 |
7229734 | CIF | C64 H196 Ag22 I34 La4 O34 S32 | P -1 | 13.485; 16.959; 29.331 96.95; 101.33; 111.95 | 5959 | Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties CrystEngComm, 2018, 20, 520 |
7229735 | CIF | C64 H196 Ag22 Ce4 I34 O34 S32 | P -1 | 13.4179; 16.9025; 29.074 97.12; 101.305; 112.265 | 5839.3 | Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties CrystEngComm, 2018, 20, 520 |
7229736 | CIF | C16 H48 Ag7 I10 O8 S8 Tb | P 1 21/c 1 | 12.436; 23.39; 21.007 90; 99.67; 90 | 6024 | Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties CrystEngComm, 2018, 20, 520 |
7229737 | CIF | C14 H42 Ag5 I8 O7 S7 Yb | P 1 21/c 1 | 17.574; 14.937; 22.48 90; 122.31; 90 | 4987 | Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties CrystEngComm, 2018, 20, 520 |
7229738 | CIF | C16 H48 Ag7 Eu I10 O8 S8 | P 1 21/c 1 | 12.328; 23.283; 20.87 90; 100.055; 90 | 5898.4 | Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties CrystEngComm, 2018, 20, 520 |
7229739 | CIF | C16 H48 Ag7 Dy I10 O8 S8 | P 1 21/c 1 | 12.426; 23.378; 20.998 90; 99.61; 90 | 6014 | Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties CrystEngComm, 2018, 20, 520 |
7229740 | CIF | C1.68 H1.9 Al0.17 N0.34 Na0.17 O9 Si4.33 | I m m m | 18.8501; 14.1221; 7.4387 90; 90; 90 | 1980.2 | Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite CrystEngComm, 2018, 20, 699 |
7229741 | CIF | C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67 | I m m m | 18.7891; 14.0936; 7.4327 90; 90; 90 | 1968.22 | Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite CrystEngComm, 2018, 20, 699 |
7229742 | CIF | C4 H11 Br Cl N O4 | P 1 21/m 1 | 6.1256; 7.9158; 9.5663 90; 103.29; 90 | 451.44 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
7229743 | CIF | C4 H11 Br Cl N O4 | P 1 21/m 1 | 6.25; 8.164; 9.64 90; 101.49; 90 | 482 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
7229744 | CIF | C4 H11 B Br F4 N | P 1 21/m 1 | 6.0331; 7.8583; 9.5127 90; 103.67; 90 | 438.22 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
7229745 | CIF | C4 H11 B Br F4 N | P 1 21/m 1 | 6.149; 8.012; 9.507 90; 101.19; 90 | 459.5 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
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