Crystallography Open Database

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1549180 CIFC28 H24 N8 O6 Pb2P 1 21/c 17.4785; 21.4405; 9.022
90; 94.218; 90
1442.69Mahmoudi, 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 CIFC16 H12 N6 O3 Pb2 S2P -18.5997; 10.9376; 11.7938
72.684; 80.451; 82.758
1040.9Mahmoudi, 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 CIFC12 H10 I2 N4 O PbP -16.6742; 7.8985; 16.794
82.614; 81.44; 65.269
792.99Mahmoudi, 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 CIFC28 H26 N10 O3 Pb S2P 1 21/c 115.4161; 13.7171; 14.9481
90; 94.944; 90
3149.23Mahmoudi, 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 CIFC62 H4 Br2 Cl2P 6/m m m10.056; 10.056; 10.07
90; 90; 120
881.9Ye, 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 CIFC62 H4 Br2 Cl2C 1 2/m 19.9153; 17.412; 10.0478
90; 101.966; 90
1697Ye, 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 CIFC39.5 H48.9 N6.5 O16.2 Zn2C 1 2/c 125.386; 25.15; 17.6282
90; 114.178; 90
10268Zhang, 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 CIFC42.15 H54.35 Cd2 N6.05 O16.05C 1 2/c 126.4534; 24.3372; 17.6488
90; 109.622; 90
10702.5Zhang, 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 CIFC28 H22 N2 O6 S2P -18.13783; 11.6634; 13.498
93.4739; 96.731; 103.882
1229.92Takeda, 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 CIFC31 H27 N3 O6 S2P -18.62524; 12.5088; 13.0025
87.7507; 79.534; 85.0219
1373.92Takeda, 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 CIFC72 H84 N4 O10 S4P -111.4757; 12.2489; 12.7795
85.3743; 76.109; 70.8493
1647.3Takeda, 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 CIFC68 H74 N4 O10 S4P -110.9957; 12.0694; 12.8047
85.373; 73.757; 75.131
1576.8Takeda, 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 CIFC68 H76 N4 O12 S4P -110.9459; 12.1089; 12.9588
84.1094; 72.953; 74.0952
1578.8Takeda, 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 CIFC72 H84 N4 O10 S4P -111.0418; 12.4363; 12.5998
88.953; 77.1337; 77.137
1643.53Takeda, 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 CIFC34 H34 N2 O6 S2P 1 21/c 111.6922; 20.8466; 13.0536
90; 101.529; 90
3117.53Takeda, 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 CIFC30 H25 N3 O6 S2P -18.70878; 12.5376; 12.6766
86.7619; 79.087; 86.3097
1354.89Takeda, 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 CIFC78 H96 N4 O10 S4P 1 21/n 114.0762; 11.0705; 23.2945
90; 92.1146; 90
3627.52Takeda, 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 CIFC68 H70 N6 O10 S4P -110.9203; 11.9997; 12.8965
84.6483; 73.4045; 75.8535
1569.95Takeda, 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 CIFC70 H82 N4 O10 S4P -111.2092; 12.181; 12.8326
85.505; 74.8198; 73.1335
1618.27Takeda, 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 CIFC66 H70 F2 N4 O10 S4P -110.9315; 12.0707; 12.7651
84.8346; 72.9469; 75.4678
1558.54Takeda, 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 CIFC77 H93 Cl3 N4 O10 S4P -114.1225; 17.0279; 17.493
81.2059; 69.2791; 72.4461
3746.3Takeda, 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 CIFC36 H50 Co2 N4 O12P 1 21/c 110.875; 13.212; 13.585
90; 101.227; 90
1914.5Przybyla, Jack J.; LaDuca, Robert L.
Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes
CrystEngComm, 2018, 20, 280
7229505 CIFC35 H46 Cd2 N4 O11P 1 21 111.1974; 14.7981; 12.0119
90; 112.731; 90
1835.8Przybyla, Jack J.; LaDuca, Robert L.
Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes
CrystEngComm, 2018, 20, 280
7229506 CIFC35 H46 Co2 N4 O11P 1 21 110.3191; 13.4103; 13.1239
90; 93.368; 90
1813Przybyla, Jack J.; LaDuca, Robert L.
Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes
CrystEngComm, 2018, 20, 280
7229507 CIFC37 H52 Co2 N4 O12P 1 21/c 111.653; 13.074; 13.802
90; 105.036; 90
2030.8Przybyla, Jack J.; LaDuca, Robert L.
Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes
CrystEngComm, 2018, 20, 280
7229508 CIFC52 H73 Cd2 N8 O17P 1 21 113.2458; 10.4071; 19.9682
90; 91.592; 90
2751.6Przybyla, Jack J.; LaDuca, Robert L.
Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes
CrystEngComm, 2018, 20, 280
7229534 CIFC29 H28 N3 O5 SP -17.5875; 11.9287; 15.8232
82.931; 78.678; 75.529
1355.58Hussain, 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 CIFC22 H28 Cr Mo6 N6 O27P -16.021; 12.32; 13.294
77.871; 77.259; 79.486
930.75Wang, 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 CIFC28 H76 Co3 Cr2 Mo12 N6 O73P -112.3636; 13.0466; 14.4949
106.06; 97.818; 111.813
2009.83Wang, 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 CIFC25 H53 Co3 Cr Mo6 N6 O46C 1 2/c 125.9299; 9.8335; 24.7101
90; 117.076; 90
5610.1Wang, 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 CIFC32 H53 Cr Cu3 Mo6 N8 O41P -19.624; 13.716; 14.061
61.168; 70.68; 88.297
1515.4Wang, 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 CIFC24 H52 Cl Cr Cu3 Mo6 N6 O45C 1 2/c 126.323; 9.8415; 25.627
90; 117.922; 90
5866Wang, 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 CIFC24 H40 Fe P2C 1 2/c 116.744; 8.987; 31.956
90; 101.227; 90
4716.7Huang, 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 CIFC18 H11 N3 O9.5 TbP 1 21/c 114.3675; 8.2658; 18.64
90; 123.87; 90
1838Huang, 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 CIFC12 H10 F N3 OP 1 21 19.6487; 5.2866; 11.1382
90; 110.361; 90
532.65Martins, 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 CIFC12 H11 N3 OP 1 21/n 15.4917; 16.1489; 12.4976
90; 100.382; 90
1090.2Martins, 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 CIFC12 H10 Cl N3 OP 1 21/c 16.168; 9.574; 19.477
90; 96.539; 90
1142.7Martins, 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 CIFC12 H10 Br N3 OP 1 21/c 16.2398; 9.7185; 19.5527
90; 96.462; 90
1178.17Martins, 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 CIFC12 H10 I N3 OP 21 21 214.7465; 9.9491; 26.6177
90; 90; 90
1256.98Martins, 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 CIFAu3.56 Ba Ga8.44I 4/m c m8.771; 8.771; 26.13
90; 90; 90
2010Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena
Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x
CrystEngComm, 2018, 20, 348
7229623 CIFAu11.41 Gd2 Sb3.59I 4/m m m7.33; 7.33; 14.105
90; 90; 90
757.8Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena
Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x
CrystEngComm, 2018, 20, 348
7229624 CIFAu11.98 Gd2 Sb3.02I 4/m m m7.307; 7.307; 14.0497
90; 90; 90
750.1Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena
Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x
CrystEngComm, 2018, 20, 348
7229625 CIFAu4.38 Ba Ga7.62I 4/m c m8.774; 8.774; 26.064
90; 90; 90
2006.5Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena
Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x
CrystEngComm, 2018, 20, 348
7229628 CIFC13 H5 N3 S2P n a 217.8613; 24.495; 6.1207
90; 90; 90
1178.6Pham, 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 CIFC15 H7 N3 S2P 1 21/c 15.56; 14.516; 16.611
90; 93.872; 90
1338Pham, 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 CIFC31 H39 N3 S2P -19.1187; 10.6243; 16.361
73.912; 82.666; 70.835
1437.4Pham, 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 CIFC18 H28 N4 O4P 42/n :225.4312; 25.4312; 6.06772
90; 90; 90
3924.27Prohens, 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 CIFC12 H22 N4 O2C 1 2/c 129.624; 6.0611; 8.6488
90; 101.974; 90
1519.14Prohens, 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 CIFC12 H22 N4 O2F d d 216.185; 29.012; 6.093
90; 90; 90
2861Prohens, 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 CIFC12 H22 N4 O2P 1 21/c 16.0552; 14.4565; 15.8765
90; 97.773; 90
1377.01Prohens, 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

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