Crystallography Open Database
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Searching volume of publication is 7
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7238037 | CIF | C10 H26 Br6 Cu N2 | P 1 21/c 1 | 11.9733; 9.414; 19.243 90; 90.089; 90 | 2169 | Sui, Yan; Zhong, Ye-Shun; Wang, Jing-Jing; Xia, Qin; Wang, Liang-Jun; Liu, Dong-Sheng A semiconducting organic‒inorganic hybrid ([BrCH2CH2N(CH3)3]2+[CuBr4]2−) with switchable dielectric properties derived from an unusual piston-like displacive movement Journal of Materials Chemistry C, 2019, 7, 14294 |
| 7238038 | CIF | C43 H26 N4 O | P -1 | 13.295; 16.9126; 33.4253 94.049; 96.201; 90.124 | 7452.8 | Cheng, Zong; Liang, Jixiong; Li, Zhiqiang; Yang, Tong; Lin, Chunhui; Mu, Xiaoyue; Wang, Yue Photoluminescent manipulation of phenoxazine-based molecules via regulating conformational isomerization, and the corresponding electroluminescent properties Journal of Materials Chemistry C, 2019, 7, 14255 |
| 7238039 | CIF | C59 H58 N4 O | C 1 2/c 1 | 38.7107; 11.7637; 21.4913 90; 98.148; 90 | 9687.9 | Cheng, Zong; Liang, Jixiong; Li, Zhiqiang; Yang, Tong; Lin, Chunhui; Mu, Xiaoyue; Wang, Yue Photoluminescent manipulation of phenoxazine-based molecules via regulating conformational isomerization, and the corresponding electroluminescent properties Journal of Materials Chemistry C, 2019, 7, 14255 |
| 7238087 | CIF | C64 H54 Mo12 N8 O40 Si | P -1 | 10.779; 11.647; 17.741 86.46; 83.91; 63.32 | 1978.6 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
| 7238088 | CIF | C30 H28.4 Cl3 Mo12 N6 O42.2 P | C 1 2/c 1 | 21.22; 15.343; 24.707 90; 109.23; 90 | 7595 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
| 7238089 | CIF | C64 H55 Br4 Mo12 N8 O43 P | P -1 | 9.783; 14.444; 15.724 88.09; 72.05; 79.4 | 2077 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
| 7238090 | CIF | C64 H56 Br4 N8 O43 Si W12 | P -1 | 9.897; 14.401; 15.775 87.64; 72.1; 79.24 | 2101.6 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
| 7238091 | CIF | C9 H21 I7 N3 O4 Pb2 | C 2 e b | 9.1196; 37.326; 8.8987 90; 90; 90 | 3029.1 | Mercier, Nicolas (HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets CrystEngComm, 2005, 7, 429 |
| 7238092 | CIF | C8 H20 I4 N2 O4 Pb | P b c a | 8.904; 9.266; 24.261 90; 90; 90 | 2001.6 | Mercier, Nicolas (HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets CrystEngComm, 2005, 7, 429 |
| 7238093 | CIF | C7 H4 Cu I N2 | P b c a | 11.3793; 9.6944; 13.5323 90; 90; 90 | 1492.82 | Wu, Tao; Li, Dan; Ng, Seik Weng Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers CrystEngComm, 2005, 7, 514 |
| 7238094 | CIF | C7 H6 Cu2 I2 N2 | P 1 21/c 1 | 15.8807; 4.1476; 17.2672 90; 111.929; 90 | 1055.05 | Wu, Tao; Li, Dan; Ng, Seik Weng Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers CrystEngComm, 2005, 7, 514 |
| 7238095 | CIF | C14 H20 O4 | P 41 | 6.7802; 6.7802; 27.425 90; 90; 90 | 1260.8 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol CrystEngComm, 2005, 7, 398 |
| 7238096 | CIF | C14 H20 O4 | P -1 | 9.2811; 9.926; 13.927 92.912; 101.065; 91.848 | 1256.4 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol CrystEngComm, 2005, 7, 398 |
| 7238097 | CIF | C14 H24 O4 | P -1 | 5.958; 5.994; 9.867 86.177; 82.547; 73.2 | 334.3 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol CrystEngComm, 2005, 7, 398 |
| 7238098 | CIF | C40 H42 I2 N2 O4 Pd S2 | P -1 | 6.4271; 12.845; 13.122 87.403; 78.592; 87.916 | 1060.39 | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro Engineering organic/inorganic diols that reversibly capture and release volatile guests CrystEngComm, 2005, 7, 527 |
| 7238099 | CIF | C42 H42 I2 N4 O4 Pd | P -1 | 7.0847; 12.3248; 12.7151 88.999; 74.24; 86.511 | 1066.53 | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro Engineering organic/inorganic diols that reversibly capture and release volatile guests CrystEngComm, 2005, 7, 527 |
| 7238100 | CIF | C42 H42 I2 N2 O5 Pd | P -1 | 12.388; 13.834; 14.151 64.58; 67.931; 83.78 | 2025.8 | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro Engineering organic/inorganic diols that reversibly capture and release volatile guests CrystEngComm, 2005, 7, 527 |
| 7238101 | CIF | C36 H30 I2 N2 O2 Pd | P -1 | 10.955; 11.153; 14.248 91.81; 91.062; 105.529 | 1675.8 | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro Engineering organic/inorganic diols that reversibly capture and release volatile guests CrystEngComm, 2005, 7, 527 |
| 7238102 | CIF | C14 H8 Cd2 N2 O9 | P 1 21/c 1 | 8.36; 8.478; 22.484 90; 107.92; 90 | 1516.3 | Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water CrystEngComm, 2005, 7, 578 |
| 7238103 | CIF | C11 H11 Cd N3 O8 | P -1 | 9.142; 9.597; 9.904 117.25; 104.93; 98.44 | 710.1 | Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water CrystEngComm, 2005, 7, 578 |
| 7238104 | CIF | C52 H42 Cd4 N8 O29 | P -1 | 8.1781; 10.4752; 17.291 78.35; 84.08; 81.4 | 1430.4 | Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water CrystEngComm, 2005, 7, 578 |
| 7238105 | CIF | C7 H7 Cd N O6 | P 1 21/c 1 | 7.8679; 15.969; 8.078 90; 114.515; 90 | 923.4 | Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water CrystEngComm, 2005, 7, 578 |
| 7238106 | CIF | C34 H22 Cu2 N4 O11 | C 1 2/c 1 | 33.839; 5.6356; 17.58 90; 116.787; 90 | 2992.8 | Ghoshal, Debajyoti; Ghosh, Ananta Kumar; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray Synthesis, crystal structure and magnetic behavior of a croconato bridged Cu(ii) complex: effect of C‒H⋯O interaction in controlling the coordination bond formation in organic‒inorganic hybrid CrystEngComm, 2005, 7, 616 |
| 7238107 | CIF | C8 H11 Cl2 N Pt Se | P -1 | 7.9398; 8.2908; 8.5591 83.699; 87.174; 86.834 | 558.63 | Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David Hydrogen-bonded networks from novel platinum(ii) dimers CrystEngComm, 2005, 7, 701 |
| 7238108 | CIF | C9 H13 Cl2 N Pt Se | P 1 21/c 1 | 10.5679; 10.7752; 11.4873 90; 98.485; 90 | 1293.76 | Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David Hydrogen-bonded networks from novel platinum(ii) dimers CrystEngComm, 2005, 7, 701 |
| 7238109 | CIF | C22 H31 Cl2 Fe N10 O6.5 | P b a 2 | 16.199; 23.421; 8.289 90; 90; 90 | 3144.8 | Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A. Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine CrystEngComm, 2005, 7, 642 |
| 7238110 | CIF | C18 H26 Cl2 Fe N14 O6 | I 41/a :2 | 11.733; 11.733; 20.664 90; 90; 90 | 2844.7 | Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A. Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine CrystEngComm, 2005, 7, 642 |
| 7238111 | CIF | C22 H31 Cl2 N10 O6.5 Ru | P b a 2 | 16.299; 23.473; 8.339 90; 90; 90 | 3190.4 | Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A. Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine CrystEngComm, 2005, 7, 642 |
| 7238112 | CIF | C30 H34 Cl2 N6 O6 Ru | P 1 21/c 1 | 8.836; 20.969; 17.825 90; 91.26; 90 | 3301.9 | Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A. Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine CrystEngComm, 2005, 7, 642 |
| 7238113 | CIF | C24 H24 Cl O3.85 P | P -1 | 9.6207; 11.1229; 11.5791 75.102; 73.232; 71.184 | 1104.44 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238114 | CIF | C24 H24 Cl O3.9 P | P -1 | 9.6277; 11.1642; 11.6014 75.114; 73.164; 71.148 | 1111 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238115 | CIF | C24 H24 Cl O3.73 P | P -1 | 9.6029; 11.128; 11.5333 75.131; 73.415; 71.343 | 1100.42 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238116 | CIF | C24 H24 Br O3.84 P | P -1 | 9.5924; 11.1652; 11.9082 75.233; 71.189; 70.977 | 1125.23 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238117 | CIF | C24 H24 Br O3.5 P | P 1 21/n 1 | 10.8495; 16.3505; 12.8342 90; 91.889; 90 | 2275.5 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238118 | CIF | C24 H24 As Cl O3.85 | P -1 | 9.6626; 11.1999; 11.5831 75.261; 73.801; 71.866 | 1124.51 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238119 | CIF | C24 H23 As Cl O3 | P 1 21/n 1 | 10.4668; 15.9259; 13.1947 90; 101.444; 90 | 2155.74 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal–·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238120 | CIF | C24 H22 As Cl O1.98 | P -1 | 10.8149; 12.7601; 15.4838 82.691; 80.994; 86.723 | 2091.75 | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide CrystEngComm, 2005, 7, 664 |
| 7238121 | CIF | C24 H26 O3 | P -1 | 9.771; 10.467; 11.703 99.62; 101.62; 117.14 | 996.2 | Sarma, Rupam J.; Baruah, Jubaraj B. Selectivity in guest–host binding in assemblies of bisphenols CrystEngComm, 2005, 7, 706 |
| 7238122 | CIF | C30 H30 O3 | P 1 21/n 1 | 12.007; 9.772; 21.546 90; 98.194; 90 | 2502 | Sarma, Rupam J.; Baruah, Jubaraj B. Selectivity in guest–host binding in assemblies of bisphenols CrystEngComm, 2005, 7, 706 |
| 7238123 | CIF | C28 H28 N O4 | P 1 21/n 1 | 12.11; 9.815; 21.26 90; 97.277; 90 | 2506.6 | Sarma, Rupam J.; Baruah, Jubaraj B. Selectivity in guest‒host binding in assemblies of bisphenols CrystEngComm, 2005, 7, 706 |
| 7238124 | CIF | C114 H98 O13 | R -3 :H | 35.873; 35.873; 6.108 90; 90; 120 | 6807 | Sarma, Rupam J.; Baruah, Jubaraj B. Selectivity in guest‒host binding in assemblies of bisphenols CrystEngComm, 2005, 7, 706 |
| 7238125 | CIF | C30 H33 N O2 | P -1 | 11.482; 11.739; 12.465 62.491; 63.027; 62.88 | 1262 | Sarma, Rupam J.; Baruah, Jubaraj B. Selectivity in guest‒host binding in assemblies of bisphenols CrystEngComm, 2005, 7, 706 |
| 7238126 | CIF | C30 H32 O3 | P -1 | 9.692; 11.739; 12.104 112.155; 101.102; 91.062 | 1245.3 | Sarma, Rupam J.; Baruah, Jubaraj B. Selectivity in guest‒host binding in assemblies of bisphenols CrystEngComm, 2005, 7, 706 |
| 7238127 | CIF | C29 H28 N2 O3 | P -1 | 5.331; 14.537; 15.166 85.576; 88.042; 85.168 | 1167.2 | Sarma, Rupam J.; Baruah, Jubaraj B. Selectivity in guest–host binding in assemblies of bisphenols CrystEngComm, 2005, 7, 706 |
| 7238128 | CIF | C9 H16 O6 | P 1 21/n 1 | 7.746; 10.408; 12.556 90; 100.061; 90 | 996.7 | Mehta, Goverdhan; Sen, Saikat Fine tuning the hydrophilic–hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’ CrystEngComm, 2005, 7, 656 |
| 7238129 | CIF | C10 H18 O6 | P -1 | 6.1134; 7.6139; 11.668 102.319; 97.916; 91.829 | 524.49 | Mehta, Goverdhan; Sen, Saikat Fine tuning the hydrophilic–hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’ CrystEngComm, 2005, 7, 656 |
| 7238130 | CIF | C10 H18 O6 | P -1 | 12.559; 12.916; 13.86 87.959; 87.627; 70.606 | 2118.3 | Mehta, Goverdhan; Sen, Saikat Fine tuning the hydrophilic–hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’ CrystEngComm, 2005, 7, 656 |
| 7238131 | CIF | C8.67 H17.57 N2.33 O3.29 | P 1 21 1 | 13.7281; 10.14; 13.8928 90; 118.578; 90 | 1698.3 | Görbitz, Carl Henrik Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate CrystEngComm, 2005, 7, 670 |
| 7238132 | CIF | C8.41 H16 N2 O3 | P 61 | 14.4539; 14.4539; 9.996 90; 90; 120 | 1808.5 | Görbitz, Carl Henrik Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate CrystEngComm, 2005, 7, 670 |
| 7238133 | CIF | C8.28 H16 F0.85 N2 O4.13 | P 1 21 1 | 14.0668; 9.8053; 14.1915 90; 116.172; 90 | 1756.7 | Görbitz, Carl Henrik Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate CrystEngComm, 2005, 7, 670 |
| 7238134 | CIF | C8.55 H15.94 N2 O4.08 | P 1 21 1 | 14.0999; 9.814; 14.2142 90; 116.14; 90 | 1765.7 | Görbitz, Carl Henrik Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate CrystEngComm, 2005, 7, 670 |
| 7238135 | CIF | C76 H50 Mn2 N6 O8 | P -1 | 13.687; 15.018; 17.572 82.449; 75.466; 62.991 | 3114.4 | Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties CrystEngComm, 2005, 7, 722 |
| 7238136 | CIF | C30 H24 Mn N6 O4 | C c c 2 | 12.203; 21.137; 10.774 90; 90; 90 | 2779 | Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties CrystEngComm, 2005, 7, 722 |
| 7238137 | CIF | C38 H28 Mn N6 O4 | P b c n | 12.0122; 10.5592; 25.048 90; 90; 90 | 3177.1 | Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties CrystEngComm, 2005, 7, 722 |
| 7238138 | CIF | C7 H5 Cl2 N O | P b c a | 8.6036; 12.7431; 14.4016 90; 90; 90 | 1578.9 | Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P. Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder CrystEngComm, 2005, 7, 690 |
| 7238139 | CIF | C7 H5 Cl2 N O | P 1 21/n 1 | 4.3539; 13.406; 14.073 90; 92.616; 90 | 820.6 | Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P. Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder CrystEngComm, 2005, 7, 690 |
| 7238140 | CIF | C8 H8 Cl N O | P b c a | 8.4446; 12.9028; 14.4186 90; 90; 90 | 1571.04 | Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P. Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder CrystEngComm, 2005, 7, 690 |
| 7238141 | CIF | C8 H8 Cl N O | P 1 21/a 1 | 13.498; 4.3186; 14.938 90; 111.365; 90 | 810.9 | Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P. Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder CrystEngComm, 2005, 7, 690 |
| 7238142 | CIF | C9 H11 N O | P 21 21 21 | 4.5023; 8.5886; 21.297 90; 90; 90 | 823.52 | Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P. Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder CrystEngComm, 2005, 7, 690 |
| 8000227 | CIF | C66 H78 O6 | P 21 21 21 | 10.73807; 18.8417; 27.9758 90; 90; 90 | 5660.16 | Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies. The journal of physical chemistry letters, 2016, 7, 783-788 |
| 8000228 | CIF | C48 H42 O6 | C 1 c 1 | 14.5496; 25.3475; 10.4535 90; 100.915; 90 | 3785.5 | Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies. The journal of physical chemistry letters, 2016, 7, 783-788 |
| 8000231 | CIF | C37 H39 N2 O2 | P n a 21 | 22.9575; 13.5678; 10.0581 90; 90; 90 | 3132.9 | Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives. The journal of physical chemistry letters, 2016, 7, 3067-3072 |
| 8000232 | CIF | C51 H51.42 N2 O | P -1 | 14.2277; 17.004; 17.1275 95.533; 91.1547; 104.605 | 3986.8 | Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives. The journal of physical chemistry letters, 2016, 7, 3067-3072 |
| 8000233 | CIF | I6 N8 Pb2 | I 4/m c m | 8.8117; 8.8117; 12.674 90; 90; 90 | 984.1 | G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D. Is CH3NH3PbI3 Polar? The journal of physical chemistry letters, 2016, 7, 2412-2419 |
| 8000234 | CIF | C H6 I3 N Pb | P n m a | 8.8767; 12.64; 8.5879 90; 90; 90 | 963.58 | G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D. Is CH3NH3PbI3 Polar? The journal of physical chemistry letters, 2016, 7, 2412-2419 |
| 8000349 | CIF | C60 H86 O6 | P -1 | 6.6764; 13.184; 17.361 73.665; 83.571; 83.54 | 1452 | Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. The journal of physical chemistry letters, 2016, 7, 4086-4092 |
| 8000350 | CIF | C60 H86 O6 | P -1 | 7.1245; 12.6264; 16.7681 101.132; 101.941; 103.882 | 1385.09 | Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. The journal of physical chemistry letters, 2016, 7, 4086-4092 |
| 8000351 | CIF | C60 H86 O6 | P -1 | 5.6873; 11.0563; 21.3282 76.848; 83.218; 89.785 | 1296.44 | Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. The journal of physical chemistry letters, 2016, 7, 4086-4092 |
| 8000352 | CIF | C31 H51 B Cl Co N9 O3 | P -1 | 8.1868; 8.2071; 29.482 84.999; 84.042; 63.879 | 1767.1 | Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V. Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation. The journal of physical chemistry letters, 2016, 7, 4111-4116 |
| 8000353 | CIF | C31 H51 B Cl Co N9 O3 | P 1 21/c 1 | 32.44; 8.0312; 13.936 90; 90.734; 90 | 3630.5 | Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V. Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation. The journal of physical chemistry letters, 2016, 7, 4111-4116 |
| 8000354 | CIF | C16 H9 Br | P 21 21 21 | 4.266; 13.533; 19.669 90; 90; 90 | 1135.5 | Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores. The journal of physical chemistry letters, 2016, 7, 4751-4756 |
| 8000355 | CIF | C32 H18 | P 1 21/c 1 | 30.4984; 3.9613; 16.2415 90; 92.412; 90 | 1960.45 | Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores. The journal of physical chemistry letters, 2016, 7, 4751-4756 |
| 9004059 | CIF | Na O8 V3 | P 1 21/m 1 | 12.28; 3.6; 8 90; 96.25; 90 | 351.562 | Bachmann, H. G.; Barnes, W. H. The crystal structure of a sodium-calcium variety of metahewettite Sample: anhydrous The Canadian Mineralogist, 1962, 7, 219-235 |
| 9004060 | CIF | Ca0.25 H0.54 Na0.5 O9 V3 | P 1 21 1 | 12.26; 3.58; 8.11 90; 92.5; 90 | 355.616 | Bachmann, H. G.; Barnes, W. H. The crystal structure of a sodium-calcium variety of metahewettite Sample: hydrated The Canadian Mineralogist, 1962, 7, 219-235 |
| 9004061 | CIF | As Ca Cu H O5 | P 21 21 21 | 7.4; 5.84; 9.21 90; 90; 90 | 398.019 | Qurashi, M. M.; Barnes, W. H. The structures of the minerals of the descloizite and adelite groups: IV - descloizite and conichalcite (part 2) The structure of conichalcite The Canadian Mineralogist, 1963, 7, 561-577 |
| 9004062 | CIF | Ca O10 V2 | P -1 | 8.534; 8.556; 7.015 101.53; 114.97; 103.38 | 425.242 | Ahmed, F. R.; Barnes, W. H. The crystal structure of rossite The Canadian Mineralogist, 1963, 7, 713-726 |
| 9005234 | CIF | Al0.25 Ca0.645 Cr0.044 Fe0.112 Mg0.957 Mn0.002 Na0.094 O6 Si1.888 Ti0.008 | C 1 2/c 1 | 9.678; 8.836; 5.257 90; 106.9; 90 | 430.137 | Comodi, P.; Princivalle, F.; Tirone, M.; Zanazzi, P. F. Comparative compressibility of clinopyroxenes from mantle nodules Sample: PC135 at room conditions European Journal of Mineralogy, 1995, 7, 141-149 |
| 9005235 | CIF | Al0.121 Ca0.828 Cr0.023 Fe0.072 Mg0.89 Mn0.001 Na0.102 O6 Si1.962 Ti0.002 | C 1 2/c 1 | 9.702; 8.878; 5.252 90; 106.2; 90 | 434.415 | Comodi, P.; Princivalle, F.; Tirone, M.; Zanazzi, P. F. Comparative compressibility of clinopyroxenes from mantle nodules Sample: 3211 at room conditions European Journal of Mineralogy, 1995, 7, 141-149 |
| 9005236 | CIF | Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 | P m c n | 11.91; 20.4; 4.73 90; 90; 90 | 1149.22 | Ferraris, G.; Ivaldi, G.; Chopin, C. Magnesiodumortierite, a new mineral from very-high-pressure rocks (Western Alps). Part I: Crystal structure European Journal of Mineralogy, 1995, 7, 167-174 |
| 9005237 | CIF | Ca0.98 Cd0.946 Mg2 Na1.074 O12 P3 | C 1 2/c 1 | 12.005; 12.675; 6.546 90; 114.55; 90 | 906.017 | Antenucci, D.; Fransolet, A. M.; Miehe, G.; Tarte, P. Synthese et cristallochimie de NaCaCdMg2(PO4)3, Phosphate nouveau a structure alluaudite sans cation trivalent Note: P2 y-coordinate changed to reproduce bond lengths European Journal of Mineralogy, 1995, 7, 175-181 |
| 9005238 | CIF | Al4.2 Ba0.09 Mg2 O30 Si10.8 | P 6/m c c | 10.058; 10.058; 14.336 90; 90; 120 | 1255.98 | Winter, W.; Armbruster, T.; Lengauer, C. Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: MAS, Mg2Al4Si11O30 European Journal of Mineralogy, 1995, 7, 277-286 |
| 9005239 | CIF | Al6 Ba Mg2 O30 Si9 | P 6/m c c | 10.129; 10.129; 14.34 90; 90; 120 | 1274.13 | Winter, W.; Armbruster, T.; Lengauer, C. Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: CBa, BaMg2Al6Si9O30 European Journal of Mineralogy, 1995, 7, 277-286 |
| 9005240 | CIF | Al5.82 Mg2 O30 Si9.18 Sr0.91 | P 6/m c c | 10.1273; 10.1273; 14.2274 90; 90; 120 | 1263.7 | Winter, W.; Armbruster, T.; Lengauer, C. Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: CSr, SrMg2Al6Si9O30 European Journal of Mineralogy, 1995, 7, 277-286 |
| 9005241 | CIF | Ga K O8 Si3 | C 1 2/m 1 | 8.66; 13.102; 7.229 90; 116.06; 90 | 736.838 | Kimata, M.; Saito, S.; Shimizu, M. Structure of sanidine-type KGaSi3O8: Tetrahedral-site disordering in potassium feldspar European Journal of Mineralogy, 1995, 7, 287-293 |
| 9005242 | CIF | Al2.04 Ca0.4 H22 K0.66 Na0.56 O30.94 Si9.96 | C m c m | 18.109; 20.485; 7.523 90; 90; 90 | 2790.75 | Passaglia, E.; Artioli, G.; Gualtieri, A.; Carnevali, R. Diagenetic mordenite from Ponza, Italy European Journal of Mineralogy, 1995, 7, 429-438 |
| 9005243 | CIF | As1.467 S11 Sb5.033 Tl2.5 | P -1 | 7.393; 8.711; 17.58 103.81; 91.81; 109.51 | 1028.62 | Libowitzky, E.; Giester, G.; Tillmanns, E. The crystal structure of jankovicite, Tl5Sb9(As,Sb)4S22 European Journal of Mineralogy, 1995, 7, 479-487 |
| 9005244 | CIF | Al1.927 H4 Na2 O12 Si3.073 | F d d 2 | 18.347; 18.561; 6.587 90; 90; 90 | 2243.13 | Alberti, A.; Cruciani, G.; Dauru, I. Order-disorder in natrolite-group minerals European Journal of Mineralogy, 1995, 7, 501-508 |
| 9005245 | CIF | Fe1.1 H24 Mg0.45 Mn0.08 O13.08 Te3 Zn0.82 | P 63/m | 9.404; 9.404; 7.636 90; 90; 120 | 584.819 | Miletich, F. Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample moc6 European Journal of Mineralogy, 1995, 7, 509-523 |
| 9005246 | CIF | Fe0.98 H24 Mg0.51 Mn0.18 O13.5 Te3 Zn0.84 | P 63/m | 9.42; 9.42; 7.657 90; 90; 120 | 588.425 | Miletich, F. Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample bam6 European Journal of Mineralogy, 1995, 7, 509-523 |
| 9005247 | CIF | Fe0.98 H24 Mg0.51 Mn0.48 O13.5 Te3 Zn0.54 | P 63/m | 9.451; 9.451; 7.687 90; 90; 120 | 594.625 | Miletich, F. Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample kaw4 European Journal of Mineralogy, 1995, 7, 509-523 |
| 9005248 | CIF | Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 | C 1 2/m 1 | 10.363; 16.31; 9.132 90; 105.34; 90 | 1488.51 | Ferraris, G.; Ivaldi, G.; Khomyakov, A. P. Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: RT, T = 20 C, before heating European Journal of Mineralogy, 1995, 7, 537-546 |
| 9005249 | CIF | Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 | C 1 2/m 1 | 10.423; 16.333; 9.16 90; 105.62; 90 | 1501.8 | Ferraris, G.; Ivaldi, G.; Khomyakov, A. P. Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: HT, T = 700 C European Journal of Mineralogy, 1995, 7, 537-546 |
| 9005250 | CIF | Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 | C 1 2/m 1 | 10.337; 16.257; 9.099 90; 105.49; 90 | 1473.53 | Ferraris, G.; Ivaldi, G.; Khomyakov, A. P. Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: RT', T = 20 C, after heating European Journal of Mineralogy, 1995, 7, 537-546 |
| 9005251 | CIF | Fe H8 K2 O12 S2 | C 1 2/m 1 | 11.841; 9.553; 9.942 90; 94.87; 90 | 1120.55 | Giester, G.; Rieck, B. Mereiterite, K2Fe[SO4]2.4H2O, a new leonite-type mineral from the Lavrion Mining District, Greece European Journal of Mineralogy, 1995, 7, 559-566 |
| 9005252 | CIF | Cu0.7 O4 W Zn0.3 | P -1 | 4.699; 5.817; 4.887 91.33; 92.08; 83.9 | 132.713 | Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F. Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: Cu.7Zn.3WO4 European Journal of Mineralogy, 1995, 7, 1019-1028 |
| 9005253 | CIF | Cu0.45 O4 W Zn0.55 | P -1 | 4.689; 5.77; 4.899 90.84; 91.52; 85.87 | 132.144 | Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F. Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: x=0.55 European Journal of Mineralogy, 1995, 7, 1019-1028 |
| 9005254 | CIF | Cu0.15 O4 W Zn0.85 | P 1 2/c 1 | 4.687; 5.726; 4.92 90; 90.85; 90 | 132.027 | Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F. Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: x=0.85 European Journal of Mineralogy, 1995, 7, 1019-1028 |
| 9005255 | CIF | Al0.83 Ca1.67 F0.027 Fe1.4 H1.973 K0.04 Mg3.65 Mn0.03 Na0.15 O23.973 Si7.38 | C 1 2/m 1 | 9.81; 18.091; 5.294 90; 104.58; 90 | 909.285 | Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I. Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(1) European Journal of Mineralogy, 1995, 7, 1049-1063 |
| 9005256 | CIF | Al1.33 Ca1.81 F0.047 Fe1.63 H1.953 K0.13 Mg3.14 Mn0.02 Na0.28 O23.953 Si6.92 Ti0.15 | C 1 2/m 1 | 9.856; 18.078; 5.311 90; 104.85; 90 | 914.691 | Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I. Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(3) European Journal of Mineralogy, 1995, 7, 1049-1063 |
| 9005257 | CIF | Al0.86 Ca1.85 F0.042 Fe1.55 H1.958 K0.1 Mg2.98 Mn0.02 Na0.43 O23.958 Si7.49 Ti0.21 | C 1 2/m 1 | 9.869; 18.058; 5.32 90; 105.03; 90 | 915.666 | Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I. Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(5) European Journal of Mineralogy, 1995, 7, 1049-1063 |
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