Crystallography Open Database
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Searching volume of publication is 18
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7227104 | CIF | C24 H16 N2 O6 Pb | P 1 21/c 1 | 20.213; 17.232; 7.666 90; 95.997; 90 | 2655.5 | Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties CrystEngComm, 2016, 18, 9307 |
| 7227105 | CIF | C3 H8 Fe N2 O6 | P n a 21 | 8.811; 7.782; 11.657 90; 90; 90 | 799.3 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227106 | CIF | C3 H8 Fe N2 O6 | P n m a | 8.736; 11.763; 7.871 90; 90; 90 | 808.8 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227107 | CIF | C3 H8 Fe N2 O6 | P 63 | 7.946; 7.946; 7.618 90; 90; 120 | 416.6 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227108 | CIF | C3 H8 Mn N2 O6 | P 63 | 7.988; 7.988; 7.807 90; 90; 120 | 431.4 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227109 | CIF | C13 H23 Br2 N7 O4 Zn | P 1 21/c 1 | 11.1965; 13.5143; 12.9627 90; 95.488; 90 | 1952.43 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227110 | CIF | C13 H23 Br2 Cl2 N7 O4 Zn2 | P -1 | 7.5332; 11.2812; 15.5208 101.693; 98.883; 105.224 | 1215.85 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227111 | CIF | C12 H32 Mn4 N8 O24 | P 1 21 1 | 16.137; 7.605; 16.14 90; 119.984; 90 | 1715.6 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227123 | CIF | C5 H11 N O2 S | P 1 21/c 1 | 16.923; 4.7963; 9.884 90; 101.424; 90 | 786.4 | Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M. Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine CrystEngComm, 2016, 18, 9363 |
| 7227124 | CIF | C5 H11 N O2 S | P 1 21/c 1 | 16.894; 4.7953; 9.8686 90; 101.318; 90 | 783.93 | Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M. Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine CrystEngComm, 2016, 18, 9363 |
| 7227137 | CIF | C47 H40 F6 O3 P2 Pd | P 1 21/n 1 | 17.5019; 9.8634; 25.5915 90; 108.725; 90 | 4184 | Zhang, Song-Lin; Deng, Zhu-Qin Synthesis and reductive elimination of arylPd(ii) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity. Physical chemistry chemical physics : PCCP, 2016, 18, 32664-32667 |
| 7227150 | CIF | C4 H4 Mn O6 | C 1 2/c 1 | 13.4976; 7.1793; 7.8799 90; 123.405; 90 | 637.44 | Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C. Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate. Physical chemistry chemical physics : PCCP, 2016, 18, 33329-33334 |
| 7227156 | CIF | C26 H33 Cl2 N5 O5 | P -1 | 9.785; 10.4737; 14.8053 80.999; 89.131; 70.023 | 1407.3 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227157 | CIF | C30 H39 Cl2 N5 O4 | P 1 21/c 1 | 14.6736; 14.8453; 15.2727 90; 114.517; 90 | 3027 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227158 | CIF | C26 H43 Cl2 N5 O10 | P -1 | 9.1549; 13.0427; 15.0857 69.094; 88.905; 77.835 | 1641.8 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227159 | CIF | C29 H41 Cl2 N5 O6 | P -1 | 10.3869; 10.6513; 14.8652 104.472; 97.659; 91.287 | 1575.54 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227160 | CIF | C26 H31 Cl2 N5 O4 | P b c a | 12.3231; 13.9721; 30.2678 90; 90; 90 | 5211.5 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227161 | CIF | C28 H41 Cl2 N5 O7 S | P -1 | 10.6335; 14.8355; 22.083 72.0962; 81.9476; 81.2892 | 3260.49 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227162 | CIF | C26 H41 Cl2 N5 O9 | P 1 21/n 1 | 12.3214; 12.7934; 20.7918 90; 102.051; 90 | 3205.24 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227163 | CIF | C30 H41 Cl2 N5 O7 | P -1 | 10.294; 11.1936; 14.8961 107.974; 98.064; 90.706 | 1613.7 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227164 | CIF | C27 H33 Cl2 N5 O4 | P 1 21/n 1 | 15.0423; 11.6835; 31.4491 90; 92.372; 90 | 5522.3 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227165 | CIF | C26 H29 Cl2 N5 O3 | P 1 21/a 1 | 24.1866; 8.1122; 13.0215 90; 91.868; 90 | 2553.55 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227166 | CIF | C26 H28 Cl2 N5 O4 | P -1 | 9.5877; 12.476; 12.9719 80.606; 77.792; 71.174 | 1427.84 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
| 7227167 | CIF | C28 H20 N2 O4 | C 1 2/c 1 | 23.385; 5.3635; 17.4866 90; 110.455; 90 | 2055 | Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J. Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles CrystEngComm, 2016, 18, 9382 |
| 7227168 | CIF | C28 H20 N2 O2 S2 | P 1 21/n 1 | 5.5724; 11.3414; 17.3547 90; 96.822; 90 | 1089.03 | Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J. Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles CrystEngComm, 2016, 18, 9382 |
| 7236160 | CIF | C18 H16 Cl2 Cu N4 | P b c a | 14.0408; 7.0121; 18.5908 90; 90; 90 | 1830.37 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236161 | CIF | C40 H46 Cu2 N10 O10 | P 1 21/n 1 | 12.4401; 11.2487; 15.3872 90; 93.715; 90 | 2148.68 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236162 | CIF | C36 H32 Cu N10 O6 | C 1 c 1 | 18.3728; 12.264; 15.3996 90; 96.439; 90 | 3448.01 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236163 | CIF | C38 H38 Cl2 Cu2 N8 O10 | P 1 21/n 1 | 7.8022; 22.6506; 11.4896 90; 92.226; 90 | 2028.96 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236164 | CIF | C36 H32 Cl2 Cu N8 O8 | A e a 2 | 17.4049; 17.5945; 11.9876 90; 90; 90 | 3671 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236165 | CIF | C38 H38 Cu2 F6 N8 O2 Si | P 1 21/n 1 | 11.2175; 27.351; 12.9381 90; 99.598; 90 | 3914 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236166 | CIF | C36 H32 Cu2 N8 O8 S2 | P 1 21/c 1 | 10.6138; 11.0181; 16.4294 90; 100.83; 90 | 1887.1 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236167 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6147; 6.5781; 12.9004 90; 90.418; 90 | 391.59 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 7236168 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6604; 7.4079; 10.4566 90; 92.007; 90 | 360.78 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 7236169 | CIF | C68 H56 Co7 N10 O39 | P -1 | 10.5995; 12.1967; 16.3411 98.732; 107.645; 109.102 | 1826.92 | Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units CrystEngComm, 2016, 18, 8182 |
| 7236170 | CIF | C52 H50 N8 Ni5 O30 | C c c a :2 | 11.8454; 28.3935; 34.5364 90; 90; 90 | 11615.7 | Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units CrystEngComm, 2016, 18, 8182 |
| 7236171 | CIF | C42 H24 N6 O19 Zn3 | P -1 | 9.6379; 10.2081; 12.1115 112.98; 99.703; 95.828 | 1062.79 | Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units CrystEngComm, 2016, 18, 8182 |
| 7236172 | CIF | C45 H30 N6 O19 Zn3 | P -1 | 9.67809; 10.27573; 11.9152 112.179; 101.863; 93.0017 | 1062.75 | Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units CrystEngComm, 2016, 18, 8182 |
| 7236173 | CIF | C36 H34 Cd3 N6 O21 | P -1 | 9.8669; 10.425; 12.4397 111.316; 102.568; 93.8625 | 1148.29 | Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units CrystEngComm, 2016, 18, 8182 |
| 7236174 | CIF | C45 H30 Co3 N6 O19 | P -1 | 9.6701; 10.2782; 11.9406 112.322; 101.936; 92.9815 | 1062.89 | Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units CrystEngComm, 2016, 18, 8182 |
| 7236175 | CIF | C42 H26 Mn3 N6 O20 | P -1 | 9.7826; 10.3101; 12.1333 112.088; 101.488; 94.1132 | 1096.65 | Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units CrystEngComm, 2016, 18, 8182 |
| 7236176 | CIF | C32 H21 Co N5 O6 | P 1 21/c 1 | 8.6354; 21.9273; 18.4048 90; 108.339; 90 | 3308 | Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties CrystEngComm, 2016, 18, 7471 |
| 7236177 | CIF | C64 H42 Cd3 N10 O13 | A e a 2 | 31.98; 7.904; 26.8 90; 90; 90 | 6774 | Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties CrystEngComm, 2016, 18, 7471 |
| 7236178 | CIF | C82 H58 Mn3 N14 O16 | P -1 | 9.856; 10.988; 17.309 80.255; 75.531; 86.663 | 1789 | Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties CrystEngComm, 2016, 18, 7471 |
| 7236179 | CIF | C39 H35 Cd2 Cl5 Cr3 N7 O16 | C c c a :2 | 23.751; 30.607; 23.764 90; 90; 90 | 17275 | Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J. Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block CrystEngComm, 2016, 18, 8578 |
| 7236180 | CIF | C36 H54 Cr3 Cu3 N13 O49 | P 63/m | 20.772; 20.772; 21.053 90; 90; 120 | 7867 | Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J. Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block CrystEngComm, 2016, 18, 8578 |
| 7236181 | CIF | C46 H70 Cd2 Cr3 N11 O41 | P -4 21 c | 20.608; 20.608; 22.35 90; 90; 90 | 9491.8 | Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J. Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block CrystEngComm, 2016, 18, 8578 |
| 7236182 | CIF | C117 H155 Cl14 Cr6 Cu6 N27 O42 | R -3 c :H | 21.6177; 21.6177; 61.464 90; 90; 120 | 24875.4 | Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J. Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block CrystEngComm, 2016, 18, 8578 |
| 7236183 | CIF | C78 H84 Cl6 Cr6 Mn3 N14 O44 | P 63/m c m | 22.045; 22.045; 21.768 90; 90; 120 | 9161.6 | Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J. Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block CrystEngComm, 2016, 18, 8578 |
| 7238068 | CIF | C26 H24 N12 O4 Zn | P -1 | 11.2652; 12.2246; 12.2787 94.758; 115.462; 111.252 | 1364.4 | Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands CrystEngComm, 2016, 18, 3506 |
| 7238069 | CIF | C20 H13 Cd N10 O | P -1 | 8.2082; 10.6317; 12.4526 79.48; 74.303; 69.897 | 977.6 | Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands CrystEngComm, 2016, 18, 3506 |
| 7238070 | CIF | C30 H29 Cd N13 O3 | P c c a | 28.6376; 10.5812; 22.7685 90; 90; 90 | 6899.3 | Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands CrystEngComm, 2016, 18, 3506 |
| 7238071 | CIF | C14 H12 N8 O2 | P 1 21/c 1 | 5.9576; 16.05; 16.1222 90; 100.028; 90 | 1518 | Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands CrystEngComm, 2016, 18, 3506 |
| 9000008 | CIF | As0.03 Cu0.53 Fe0.31 Mo0.09 S0.71 Sb0.01 Sn0.05 Te0.02 Zn0.01 | F -4 3 m | 5.304; 5.304; 5.304 90; 90; 90 | 149.214 | Zachariasen, W. H. X-Ray examination of colusite, (Cu,Fe,Mo,Sn)4(S,As,Te)3-4 American Mineralogist, 1933, 18, 534-537 |
| 9004150 | CIF | Ag0.33 Bi8.34 Pb5.33 S15.03 Se2.97 | P n m a | 53.68; 4.11; 15.4 90; 90; 90 | 3397.62 | Mumme, W. G. Weibullite Ag0.32Pb5.09Bi8.55Se6.08S11.92 from Falun, Sweden: A higher homologue of galenobismutite The Canadian Mineralogist, 1980, 18, 1-12 |
| 9004151 | CIF | Al0.885 Be2.115 Ca2 H1.36 K1.06 Na0.076 O30.68 Si12 | P 6/m c c | 10.42; 10.42; 13.81 90; 90; 120 | 1298.55 | Cerny, P.; Hawthorne, F. C.; Jarosewich, E. Crystal chemistry of milarite Note: sample Kings Mt.(31) The Canadian Mineralogist, 1980, 18, 41-57 |
| 9004152 | CIF | Al0.45 Be2.55 Ca4 H2.72 K1.184 Na0.24 O30.92 Si12 | P 6/m c c | 10.428; 10.428; 13.675 90; 90; 120 | 1287.83 | Cerny, P.; Hawthorne, F. C.; Jarosewich, E. Crystal chemistry of milarite Note: sample Vezna(29a), radial fibrous The Canadian Mineralogist, 1980, 18, 41-57 |
| 9004153 | CIF | Al0.45 Be2.55 Ca4 H2.72 K1.184 Na0.24 O30.68 Si12 | P 6/m c c | 10.417; 10.417; 13.688 90; 90; 120 | 1286.34 | Cerny, P.; Hawthorne, F. C.; Jarosewich, E. Crystal chemistry of milarite Note: sample Vezna(29b), radial fibrous The Canadian Mineralogist, 1980, 18, 41-57 |
| 9004154 | CIF | O5 Sb2 V | C 1 2/c 1 | 17.989; 4.7924; 5.5 90; 95.15; 90 | 472.244 | Szymanski, J. T. A redetermination of the structure of Sb2VO5, stibivanite, a new mineral The Canadian Mineralogist, 1980, 18, 333-337 |
| 9004155 | CIF | Al0.06 Ca0.01 Fe2.06 Mg0.1 Mn0.02 O4 Si0.01 Ti0.73 V0.01 | F d -3 m :2 | 8.481; 8.481; 8.481 90; 90; 90 | 610.016 | Stout, M. Z.; Bayliss, P. Crystal structure of two ferrian ulvospinels from British Columbia Note: sample NR5 Locality: Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada The Canadian Mineralogist, 1980, 18, 339-341 |
| 9004156 | CIF | Al0.05 Ca0.01 Fe2.1 Mg0.06 Mn0.02 O4 Si0.01 Ti0.74 V0.01 | F d -3 m :2 | 8.504; 8.504; 8.504 90; 90; 90 | 614.992 | Stout, M. Z.; Bayliss, P. Crystal structure of two ferrian ulvospinels from British Columbia Note: sample IM7 Locality: Itcha Mountain hawaiite lava flow, central British Columbia, Canada The Canadian Mineralogist, 1980, 18, 339-341 |
| 9004157 | CIF | Bi7.92 Cu Pb2.08 S10.8 Se3.2 | P 1 21/m 1 | 17.97; 4.11; 17.62 90; 94.3; 90 | 1297.69 | Mumme, W. G. The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun, Sweden: A member of the junoite homologous series The Canadian Mineralogist, 1980, 18, 343-352 |
| 9004158 | CIF | Ca0.2 Cl0.75 H4.37 Na4.8 O20.37 Si6 Zr2 | P 1 21/m 1 | 10.7956; 14.4928; 6.6229 90; 113.214; 90 | 952.316 | Ghose, S.; Wan, C.; Chao, G. Y. Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate The Canadian Mineralogist, 1980, 18, 503-509 |
| 9005747 | CIF | C H4 Al K O6 | P n a 21 | 8.3312; 11.267; 5.661 90; 90; 90 | 531.385 | Fernandez-Carrasco L; Rius, J. Synthesis and crystal structure determination of hydrated potassium dawsonite from powder diffraction data European Journal of Mineralogy, 2006, 18, 99-104 |
| 9005748 | CIF | Fe1.1 Mn0.81 O5 P | I 1 2/a 1 | 11.835; 6.328; 9.983 90; 105.81; 90 | 719.363 | Keller, P.; Lissner, F.; Schleid, T. The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju, Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O Locality: Okatjimukuju, Karibib, Namibia Note: Uiso(O4) corrected European Journal of Mineralogy, 2006, 18, 113-118 |
| 9005749 | CIF | Fe H9.384 O12 S2 | P n m a | 9.7226; 18.28; 5.427 90; 90; 90 | 964.536 | Majzlan J; Navrotsky A; McCleskey R B; Alpers C N Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic European Journal of Mineralogy, 2006, 18, 175-186 |
| 9005750 | CIF | Fe4.619 O46 S6 | P -1 | 7.3867; 18.363; 7.3275 93.94; 102.201; 98.916 | 954.414 | Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N. Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 European Journal of Mineralogy, 2006, 18, 175-186 |
| 9005751 | CIF | Al1.058 Fe2.942 H36 O42 S6 | P -3 1 c | 10.9153; 10.9153; 17.077 90; 90; 120 | 1762.03 | Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N. Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 European Journal of Mineralogy, 2006, 18, 175-186 |
| 9005752 | CIF | Fe3.63 H4 O9 Si1.37 | P 3 1 m | 5.494; 5.494; 7.09 90; 90; 120 | 185.334 | Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: HER Note: 1T polytype European Journal of Mineralogy, 2006, 18, 197-205 |
| 9005753 | CIF | Fe3.578 H4 O9 Si1.422 | P 3 1 m | 5.495; 5.495; 7.09 90; 90; 120 | 185.401 | Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LOS Note: 1T polytype European Journal of Mineralogy, 2006, 18, 197-205 |
| 9005754 | CIF | Fe3.44 H4 O9 Si1.56 | P 3 1 m | 5.501; 5.501; 7.106 90; 90; 120 | 186.225 | Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: ROZ Note: 1T polytype European Journal of Mineralogy, 2006, 18, 197-205 |
| 9005755 | CIF | Fe3.52 H4 O9 Si1.48 | P 3 1 m | 5.49; 5.49; 7.086 90; 90; 120 | 184.959 | Hybler, J. Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LIT Note: 1T polytype European Journal of Mineralogy, 2006, 18, 197-205 |
| 9005946 | CIF | Mn O | F m -3 m | 4.4449; 4.4449; 4.4449 90; 90; 90 | 87.818 | Pacalo, R. E. G.; Graham, E. K. Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 1 Physics and Chemistry of Minerals, 1991, 18, 69-80 |
| 9005947 | CIF | Mn O | F m -3 m | 4.4446; 4.4446; 4.4446 90; 90; 90 | 87.801 | Pacalo, R. E. G.; Graham, E. K. Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 2 Physics and Chemistry of Minerals, 1991, 18, 69-80 |
| 9005948 | CIF | Fe2 K Li Na2 O24 Si8 Ti2 | C 1 c 1 | 16.436; 12.436; 9.966 90; 115.63; 90 | 1836.6 | Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G. Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 15 K Physics and Chemistry of Minerals, 1991, 18, 199-213 |
| 9005949 | CIF | Fe2 K Li Na2 O24 Si8 Ti2 | C 1 c 1 | 16.43; 12.436; 9.963 90; 115.6; 90 | 1835.84 | Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G. Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 110 K Physics and Chemistry of Minerals, 1991, 18, 199-213 |
| 9005950 | CIF | Fe2 K Li Na2 O24 Si8 Ti2 | C 1 c 1 | 16.427; 12.478; 9.975 90; 115.56; 90 | 1844.54 | Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G. Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 293 K Physics and Chemistry of Minerals, 1991, 18, 199-213 |
| 9005951 | CIF | Fe2 K Li Na2 O24 Si8 Ti2 | C 1 c 1 | 16.426; 12.532; 9.995 90; 115.51; 90 | 1856.89 | Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G. Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 493 K Physics and Chemistry of Minerals, 1991, 18, 199-213 |
| 9005952 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0452; 8.0452; 8.0452 90; 90; 90 | 520.728 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 43d, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005953 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.046; 8.046; 8.046 90; 90; 90 | 520.883 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 80h, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005954 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.046; 8.046; 8.046 90; 90; 90 | 520.883 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 43h, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005955 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.046; 8.046; 8.046 90; 90; 90 | 520.883 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005956 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0468; 8.0468; 8.0468 90; 90; 90 | 521.038 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for 49h, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005957 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0473; 8.0473; 8.0473 90; 90; 90 | 521.135 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 901 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005958 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0481; 8.0481; 8.0481 90; 90; 90 | 521.291 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 950 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005959 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0488; 8.0488; 8.0488 90; 90; 90 | 521.427 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1000 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005960 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0497; 8.0497; 8.0497 90; 90; 90 | 521.602 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1050 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005961 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0504; 8.0504; 8.0504 90; 90; 90 | 521.738 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1100 C, held for 35m, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005962 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0511; 8.0511; 8.0511 90; 90; 90 | 521.874 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1150 C, held for 5m, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005963 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0517; 8.0517; 8.0517 90; 90; 90 | 521.991 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1200 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005964 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0522; 8.0522; 8.0522 90; 90; 90 | 522.088 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1250 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005965 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0452; 8.0452; 8.0452 90; 90; 90 | 520.728 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 43d, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005966 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.046; 8.046; 8.046 90; 90; 90 | 520.883 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 80h, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005967 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.046; 8.046; 8.046 90; 90; 90 | 520.883 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 43h, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005968 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.046; 8.046; 8.046 90; 90; 90 | 520.883 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005969 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.046; 8.046; 8.046 90; 90; 90 | 520.883 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for 49h, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005970 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0473; 8.0473; 8.0473 90; 90; 90 | 521.135 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 901 C, held for 16h, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005972 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0488; 8.0488; 8.0488 90; 90; 90 | 521.427 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1000 C, held for 1h, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005973 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0497; 8.0497; 8.0497 90; 90; 90 | 521.602 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1050 C, held for 1h, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
| 9005974 | CIF | Al2 Ni O4 | F d -3 m :2 | 8.0481; 8.0481; 8.0481 90; 90; 90 | 521.291 | O'Neill H St C; Dollase, W. A.; Ross, C. R. Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 1100 C, held for 35m, UCLA (Cu), Model 1 Physics and Chemistry of Minerals, 1991, 18, 302-319 |
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