Crystallography Open Database
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Searching journal of publication like 'CrystEngComm / RSC'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7248787 | CIF | C56 H44 Cu2 N10 O12 | P -1 | 10.8808; 11.1603; 12.5136 111.044; 107.145; 95.432 | 1320.49 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248788 | CIF | C20 H16 N6 O6 | P 1 21/n 1 | 7.1723; 10.3009; 13.3438 90; 99.696; 90 | 971.773 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248789 | CIF | C56 H48 N10 Ni2 O13 | P 1 21/n 1 | 10.1841; 22.1378; 12.2623 90; 96.771; 90 | 2745.3 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248790 | CIF | C76 H55 N14 Ni2 O10.5 | P -1 | 11.2569; 13.4025; 13.5086 61.328; 71.172; 75.382 | 1680.8 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248791 | CIF | C72 H44 Cu8 N8 O32 S4 | P -1 | 10.1534; 10.8388; 17.2424 88.548; 89.922; 84.669 | 1888.72 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248792 | CIF | C128 H132 N24 Ni3 O32 S2 | P 1 21/n 1 | 13.5935; 29.6842; 17.6639 90; 104.823; 90 | 6890.4 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248793 | CIF | C134 H146 N26 Ni3 O34 S2 | P 1 21/n 1 | 13.6311; 30.6414; 16.9666 90; 104.013; 90 | 6875.65 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248794 | CIF | C128 H136 N24 Ni3 O34 S2 | P 1 21/n 1 | 13.6178; 29.7718; 17.1157 90; 104.098; 90 | 6730.15 | Marttinen, Antti; Lahtinen, Manu Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties CrystEngComm, 2024 |
| 7248795 | CIF | C7 H15 N3 O5 | P 1 21 1 | 7.8012; 5.3813; 12.1746 90; 102.724; 90 | 498.55 | Toomey, Ryan; Wang, Luther; Heider, Emily; Hartman, Joshua D.; Nichols, Alexander J.; Myles, Dean A.; Gardberg, Anna S.; McIntyre, Garry J.; Zeller, Matthias; Mehta, Manish; Harper, James K. NMR-Guided Refinement of Crystal Structures using 15N Chemical Shift Tensors CrystEngComm, 2024 |
| 7248796 | CIF | C37 H26 Cd N2 O6 | P n n n :2 | 15.1803; 15.8937; 31.1603 90; 90; 90 | 7518.1 | Chen, Wei-Min; Zhang, Yi; Xue, Zhen-Dong; Zhu, Hao-Yu; Gao, Qiang; Chen, Lizhuang; Wang, Fang-Ming Three new AIE-cored Luminescent Cd-based MOF with high quantum yields and selective detection of ions in aqueous media CrystEngComm, 2024 |
| 7248797 | CIF | C21 H23 Cl N4 O6 | P 1 21/n 1 | 11.7204; 8.4362; 21.7076 90; 98.393; 90 | 2123.37 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248798 | CIF | C24 H30 N4 O8 | P 1 21/c 1 | 17.5775; 8.5067; 16.7661 90; 106.408; 90 | 2404.9 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248799 | CIF | C23 H27 N5 O7 | P 1 21/c 1 | 12.0964; 9.7449; 20.4019 90; 101.15; 90 | 2359.54 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248800 | CIF | C38 H44 N8 O12 S2 | P 1 21/n 1 | 12.2812; 11.5143; 14.0952 90; 107.887; 90 | 1896.85 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248801 | CIF | C34 H42 N10 O11 | P -1 | 10.6038; 12.9331; 14.4781 67.818; 84.598; 84.69 | 1826.9 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248802 | CIF | C20.37 H23.49 N6 O7.37 | P 1 21/c 1 | 14.4664; 12.6295; 12.7478 90; 111.155; 90 | 2172.1 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248803 | CIF | C20 H22 N4 O8 | P -1 | 16.9699; 17.1267; 17.9029 63.782; 64.481; 84.746 | 4181.1 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248804 | CIF | C26 H34 N4 O11 S2 | P -1 | 11.4318; 11.9311; 12.8427 83.493; 68.677; 61.801 | 1434.43 | Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim CrystEngComm, 2024 |
| 7248805 | CIF | C42 H48 B2 Cu F8 N8 O4 | P 1 21/c 1 | 8.8391; 26.4003; 9.9765 90; 106.136; 90 | 2236.4 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248806 | CIF | C40 H44 B2 Cu F8 N8 O2 | P -1 | 8.9408; 9.5997; 13.2336 104.392; 92.473; 106.907 | 1044.43 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248807 | CIF | C40.2 H43.2 B2 Cu F8 N8 O1.4 | P -1 | 9.016; 9.6842; 13.7262 69.875; 80.108; 72.626 | 1070.76 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248808 | CIF | C41.333 H45.333 B2 Cu F8 N8 O1.333 | P -1 | 15.0482; 15.3209; 16.1054 103.71; 110.373; 100.587 | 3234 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248809 | CIF | C38 H40 B2 Cu F8 N8 O2 | P -1 | 8.8582; 9.5536; 13.4305 105.47; 92.908; 107.642 | 1033.13 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248810 | CIF | C44 H52 B2 Cu F8 N8 O2 | P -1 | 9.234; 9.995; 13.3246 105.451; 94.995; 104.322 | 1132.98 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248811 | CIF | C46 H56 B2 Cu F8 N8 O2 | P -1 | 9.3029; 9.9439; 14.3527 73.234; 73.473; 73.13 | 1187.02 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248812 | CIF | C42 H48 B2 Cu F8 N8 O2 | P -1 | 9.1101; 9.9335; 13.3316 104.812; 94.552; 104.842 | 1113.82 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248813 | CIF | C44 H48 B2 Cu F8 N8 O2 | P -1 | 9.4113; 10.2218; 12.812 87.054; 75.179; 70.705 | 1123.8 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248814 | CIF | C39.6 H39.2 B2 Cu F8 N8 O1.2 | P -1 | 8.95; 9.655; 13.284 73.31; 87.75; 72.57 | 1047.7 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248815 | CIF | C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 | P 1 2/n 1 | 17.5681; 9.8878; 24.2057 90; 96.253; 90 | 4179.8 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248816 | CIF | C42 H46 B2 Cu F8 N8 | P -1 | 8.7411; 9.7698; 12.811 97.513; 93.679; 107.576 | 1027.8 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248817 | CIF | C44 H52 B2 Cu F8 N8 O2 | P -1 | 9.2904; 9.9448; 14.0725 110.2; 94.866; 105.768 | 1151.1 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248818 | CIF | C42 H46 B2 Cu F8 N10 O2 | P -1 | 9.0724; 9.8173; 14.3397 75.963; 71.693; 71.238 | 1133.8 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248819 | CIF | C43.4 H46.8 B2 Cu F8 N8 O3.7 | P -1 | 9.2398; 9.9904; 12.6976 78.043; 85.634; 73.908 | 1101.53 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248820 | CIF | C40.2 H41.8 B2 Cu F8 N8 O0.7 | P -1 | 8.7016; 9.8158; 12.9608 96.464; 96.268; 106.15 | 1045.07 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248821 | CIF | C39.44 H38.88 B2 Cu F8 N8 O1.72 | P -1 | 8.6393; 9.7696; 12.8911 99.164; 93.555; 106.361 | 1024.08 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248822 | CIF | C40 H42 B2 Cu F8 N8 O | P -1 | 8.5831; 9.7612; 12.8928 98.221; 93.854; 107.301 | 1013.8 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248823 | CIF | C38 H35.8 B2 Cu F8 N9 O0.4 | P n n 2 | 11.1724; 12.347; 13.8235 90; 90; 90 | 1906.89 | Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system CrystEngComm, 2024 |
| 7248826 | CIF | C7 H13 Cd Cl4 N | P 1 21/n 1 | 7.1351; 24.6782; 7.2386 90; 107.239; 90 | 1217.32 | Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4) CrystEngComm, 2024 |
| 7248827 | CIF | C21 H39 Cd2 Cl10 N3 | P 63 | 16.7102; 16.7102; 6.8101 90; 90; 120 | 1646.82 | Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4) CrystEngComm, 2024 |
| 7248828 | CIF | C7 H13 Cl2 N | P 21 21 21 | 8.3125; 9.4931; 11.6083 90; 90; 90 | 916.03 | Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4) CrystEngComm, 2024 |
| 7248829 | CIF | C21 H39 Cd2 Cl10 N3 | P 63 | 16.8561; 16.8561; 6.8554 90; 90; 120 | 1686.9 | Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4) CrystEngComm, 2024 |
| 7248830 | CIF | C23 H20 F4 N4 O3 S | P -1 | 8.3391; 9.0572; 15.2669 91.249; 100.527; 93.264 | 1131.2 | Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates CrystEngComm, 2024 |
| 7248831 | CIF | C23 H18 F4 N5 O2 S | P -1 | 8.2956; 9.1182; 15.2824 91.758; 100.425; 92.84 | 1134.57 | Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates CrystEngComm, 2024 |
| 7248832 | CIF | C44 H34 F8 N9 O4 S2 | P -1 | 11.6684; 12.5374; 17.0985 99.742; 94.952; 117.376 | 2150.4 | Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates CrystEngComm, 2024 |
| 7248833 | CIF | C44 H36 F8 N8 O5 S2 | P -1 | 11.669; 12.5; 17.234 75.064; 84.535; 62.435 | 2152.3 | Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates CrystEngComm, 2024 |
| 7248834 | CIF | C14 H21 N O13 S U | C 1 2/c 1 | 16.8957; 16.0165; 16.5508 90; 111.295; 90 | 4173 | ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes CrystEngComm, 2024 |
| 7248835 | CIF | C15 H19 N O8 U | P -1 | 8.4357; 10.8597; 10.93 107.615; 98.577; 110.983 | 852.93 | ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes CrystEngComm, 2024 |
| 7248836 | CIF | C20 H28 N2 O9 U | P 1 21 1 | 8.9441; 15.7697; 18.0045 90; 102.834; 90 | 2476 | ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes CrystEngComm, 2024 |
| 7248837 | CIF | C20 H20 N2 O8 U | P 1 21/c 1 | 11.5459; 7.6285; 23.9919 90; 93.933; 90 | 2108.2 | ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes CrystEngComm, 2024 |
| 7248838 | CIF | C16 H14 N O8.5 U | P -1 | 8.8256; 9.8335; 10.6502 69.704; 77.981; 74.084 | 827.09 | ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes CrystEngComm, 2024 |
| 7248839 | CIF | C19 H18.5 N1.5 O10 U | P c a 21 | 13.397; 13.1905; 23.2768 90; 90; 90 | 4113.3 | ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes CrystEngComm, 2024 |
| 7248840 | CIF | C40 H48 N4 O26 U4 | P 1 21/c 1 | 8.3349; 12.2484; 24.361 90; 94.5772; 90 | 2479.06 | ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes CrystEngComm, 2024 |
| 7248841 | CIF | C96 H48 O67 Tb12 | F m -3 m | 21.5579; 21.5579; 21.5579 90; 90; 90 | 10018.9 | Cao, Wenqian; Teng, Fangying; Cui, Yuanjing; Qian, Guodong A Lanthanide Metal-organic Framework Containing Hydrazine Group for Highly Sensitive Luminescent Sensing of Formaldehyde Gas CrystEngComm, 2024 |
| 7248842 | CIF | C18 H15 N11 O Zn | P 1 21/c 1 | 9.522; 19.4852; 10.4691 90; 103.704; 90 | 1887.12 | Wu, Jia-Xuan; Mo, Yi-Hong; Lin, Xian; Zhou, Bing-Xun; Cai, Songliang; Fan, Jun; Xie, Mubiao; Zheng, Sheng-Run A luminescent Zn(II) coordination polymer based on a new tetrazolyl-benzimidazolyl tripodal heterotopic ligand for detecting acetone and triethylamine in water CrystEngComm, 2024 |
| 7248843 | CIF | C62 H51 N2 O6 Pr | P 1 21 1 | 9.5474; 20.9047; 12.6813 90; 92.922; 90 | 2527.7 | Peng, Yanhong; Wang, Taoyu; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li Two chiral lanthanide PrIII and HoIII complexes: NIR luminescent and nonlinear optical properties CrystEngComm, 2024 |
| 7248844 | CIF | C62 H51 Ho N2 O6 | P 1 21 1 | 9.5036; 20.7058; 12.7856 90; 92.003; 90 | 2514.4 | Peng, Yanhong; Wang, Taoyu; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li Two chiral lanthanide PrIII and HoIII complexes: NIR luminescent and nonlinear optical properties CrystEngComm, 2024 |
| 7248845 | CIF | C32 H20 Cl4 F6 N4 Ni S2 | P -1 | 7.5146; 10.6915; 12.0434 103.512; 103.72; 106.57 | 852.48 | Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors CrystEngComm, 2024 |
| 7248846 | CIF | C31 H20 Cl2 F6 N4 O S2 Zn | P -1 | 9.2339; 13.5275; 14.9019 105.866; 107.532; 94.354 | 1681.72 | Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors CrystEngComm, 2024 |
| 7248847 | CIF | C46 H26 Cl2 F9 Fe N6 S3 | P 1 | 10.201; 11.0689; 11.4836 115.214; 97.954; 104.048 | 1094 | Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors CrystEngComm, 2024 |
| 7248848 | CIF | C47 H24 F9 N8 S3 W | C 1 2/c 1 | 38.63; 14.822; 18.028 90; 101.077; 90 | 10130 | Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors CrystEngComm, 2024 |
| 7248867 | CIF | C6 H13 Br0.19 I0.81 N2 | P -6 m 2 | 7.0554; 7.0554; 5.3478 90; 90; 120 | 230.54 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248868 | CIF | C6 H13 Br0.27 I0.73 N2 | P -6 m 2 | 6.9445; 6.9445; 5.3334 90; 90; 120 | 222.75 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248869 | CIF | C6 H13 Br0.64 I0.36 N2 | P -6 m 2 | 6.8337; 6.8337; 5.3349 90; 90; 120 | 215.76 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248870 | CIF | C6 H13 Br0.74 I0.26 N2 | P -6 m 2 | 6.8015; 6.8015; 5.3298 90; 90; 120 | 213.53 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248871 | CIF | C6 H13 Br0.8 I0.2 N2 | P -6 m 2 | 6.7014; 6.7014; 5.3164 90; 90; 120 | 206.77 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248872 | CIF | C6 H13 Br0.97 Cl0.03 N2 | P -6 m 2 | 6.6645; 6.6645; 5.3238 90; 90; 120 | 204.78 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248873 | CIF | C6 H13 Br0.8 I0.2 N2 | P -6 m 2 | 6.7541; 6.7541; 5.3383 90; 90; 120 | 210.9 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248874 | CIF | C6 H13 Br0.95 I0.05 N2 | P -6 m 2 | 6.6793; 6.6793; 5.3178 90; 90; 120 | 205.46 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248875 | CIF | C6 H13 Br0.9 I0.1 N2 | P -6 m 2 | 6.6949; 6.6949; 5.3265 90; 90; 120 | 206.76 | Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains CrystEngComm, 2024 |
| 7248876 | CIF | C13 H8 F4 I2 N4 O2 | P 1 21/n 1 | 19.924; 4.4267; 20.419 90; 113.293; 90 | 1654.1 | Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies CrystEngComm, 2024 |
| 7248877 | CIF | C20 H16 F4 I2 N8 O4 | P -1 | 4.0269; 7.451; 20.66 82.022; 88.669; 80.671 | 605.8 | Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies CrystEngComm, 2024 |
| 7248878 | CIF | C19 H20 F2 I N8 O4 | P 1 21/c 1 | 21.904; 4.044; 25.87 90; 110.9; 90 | 2141 | Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies CrystEngComm, 2024 |
| 7248879 | CIF | C64.85 H54.65 N6.95 O16.95 Zn2 | P -1 | 13.7978; 14.4468; 16.7912 77.112; 80.384; 67.4 | 2999.9 | Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies CrystEngComm, 2024 |
| 7248880 | CIF | C65 H58 Co3 N8 O21 | C 1 2/c 1 | 48.175; 21.8096; 16.2927 90; 101.066; 90 | 16800.1 | Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies CrystEngComm, 2024 |
| 7248881 | CIF | C12 H13 N2 O4 P | P -1 | 6.98; 9.04; 10.34 83.62; 81.85; 77.85 | 629.2 | Ward, Jas S.; Kruger, Paul A Pentametallic Co5L4 Architecture Constructed From Bis-substituted Phosphate-based Ligands CrystEngComm, 2024 |
| 7248882 | CIF | C28 H22 B Co F4 N8 O4 | P 1 21/c 1 | 12.803; 16.333; 14.884 90; 112.62; 90 | 2873 | Ward, Jas S.; Kruger, Paul A Pentametallic Co5L4 Architecture Constructed From Bis-substituted Phosphate-based Ligands CrystEngComm, 2024 |
| 7248883 | CIF | C154 H138 B6 Co5 F24 N24 O16 P4 | I 1 2 1 | 20.379; 20.997; 20.579 90; 92.08; 90 | 8800 | Ward, Jas S.; Kruger, Paul A Pentametallic Co5L4 Architecture Constructed From Bis-substituted Phosphate-based Ligands CrystEngComm, 2024 |
| 7248884 | CIF | C53 H64 Cl2 N10 O13 | P -1 | 12.371; 13.385; 17.69 93.64; 105.06; 91.16 | 2821 | Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rekha Rout, Smruti; Dandela, Rambabu Polymorphism, phase transition and physicochemical properties investigation of Ensifentrine CrystEngComm, 2024 |
| 7248888 | CIF | C17 H29 N3 O18 Sc2 | P 21 21 21 | 10.7947; 13.2243; 18.4212 90; 90; 90 | 2629.7 | Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies CrystEngComm, 2024 |
| 7248889 | CIF | C17 H25 In2 N3 O16 | P 1 21 1 | 8.4592; 16.8623; 8.8757 90; 99.942; 90 | 1247.03 | Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies CrystEngComm, 2024 |
| 7248890 | CIF | C36 H68 Eu N31 O49 Tb | P -1 | 13.4041; 14.4617; 18.2115 73.8223; 87.3313; 87.7248 | 3385.45 | Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril CrystEngComm, 2024 |
| 7248891 | CIF | C36 H68 Eu1.4 Ho0.6 N31 O49 | P -1 | 13.409; 14.4887; 18.21 73.8529; 87.2751; 87.7447 | 3393.2 | Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril CrystEngComm, 2024 |
| 7248892 | CIF | C36 H68 Eu N31 Nd O49 | P 1 21/n 1 | 14.4113; 13.6182; 18.047 90; 105.589; 90 | 3411.5 | Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril CrystEngComm, 2024 |
| 7248893 | CIF | C36 H68 Eu N31 O49 Sm | P 1 21/n 1 | 14.42; 13.589; 17.9538 90; 105.683; 90 | 3387.14 | Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril CrystEngComm, 2024 |
| 7248894 | CIF | C36 H68 Eu Gd N31 O49 | P -1 | 13.4267; 14.4721; 18.2429 73.8016; 87.3486; 87.8007 | 3399.26 | Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril CrystEngComm, 2024 |
| 7248895 | CIF | C36 H68 Dy Eu N31 O49 | P -1 | 13.4214; 14.4818; 18.2079 73.8732; 87.4439; 87.9242 | 3395.3 | Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril CrystEngComm, 2024 |
| 7248896 | CIF | C36 H68 Eu N31 O49 Sm | P -1 | 13.4418; 14.4661; 18.2775 73.8147; 87.3845; 87.814 | 3408.45 | Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril CrystEngComm, 2024 |
| 7248898 | CIF | C93 H75 Dy2 N3 O15 | P 1 21/n 1 | 21.2717; 16.4895; 26.0856 90; 113.723; 90 | 8376.6 | gou, yangyang; Gao, Ming; Wu, Yun-Long; zhou, wei; feng, jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing Construction of porous 2D Dy3+ metal organic frameworks: Solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensor for Fe3+ ion CrystEngComm, 2024 |
| 7248899 | CIF | C204 H195 Dy4 N9 O36 | P 1 21/c 1 | 40.69949; 18.17532; 25.71644 90; 100.858; 90 | 18682.6 | gou, yangyang; Gao, Ming; Wu, Yun-Long; zhou, wei; feng, jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing Construction of porous 2D Dy3+ metal organic frameworks: Solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensor for Fe3+ ion CrystEngComm, 2024 |
| 7248900 | CIF | C24 H34 Cl2 Hg N6 O5 S3 | P 1 21/c 1 | 27.3822; 5.36939; 25.8726 90; 102.224; 90 | 3717.69 | Khorshidi, Ghazaleh; Notash, Behrouz; Kubicki, Maciej Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers CrystEngComm, 2024 |
| 7248901 | CIF | C26 H40 Hg I2 N6 O6 S4 | P 1 21/c 1 | 5.55696; 33.2718; 22.0194 90; 94.9947; 90 | 4055.71 | Khorshidi, Ghazaleh; Notash, Behrouz; Kubicki, Maciej Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers CrystEngComm, 2024 |
| 7248902 | CIF | C24 H34 Br2 Hg N6 O5 S3 | P 1 21/c 1 | 27.8834; 5.3776; 26.0063 90; 103.308; 90 | 3794.8 | Khorshidi, Ghazaleh; Notash, Behrouz; Kubicki, Maciej Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers CrystEngComm, 2024 |
| 7248903 | CIF | C135 H168 Cl10 Fe2 N4 O14 | P 1 21/n 1 | 22.9; 12.187; 52.643 90; 98.41; 90 | 14534 | Strelnikova, Iuliia V.; Shutilov, Ilya Denisovich; Ovsyannikov, Alexander; Islamov, Daut; Pyataev, Andrew Vasilevich; Gerasimova, Tatiana; Ayrat, Khamatgalimov; Khrizanforov, Mikhail; Gubaidullin, Aidar Timergalievich; Burilov, Vladimir; Solovieva, Svetlana; Antipin, Igor S. Elucidating the role of the o-methoxy group at the lower rim appended salicylideneamine substituents of calix[4]arene ligand on the molecular and electronic structure of dinuclear Fe(III) based “diamond core” complexes CrystEngComm, 2024 |
| 7248905 | CIF | C12 H15 Cs3 N12 O15 | P -1 | 10.4643; 10.4975; 13.6002 98.159; 104.074; 111.527 | 1303.1 | Wang, Xinyue; Wang, Dandan; Liu, Yujie; Wang, Jinhui An alkali-metal isocyanurate Cs3(H2C3N3O3)3(H3C3N3O3)·3H2O: synthesis and characterization CrystEngComm, 2024 |
| 7248906 | CIF | C41 H28 Cd2 N8 O9 | P -1 | 10.1; 13.66; 17.31 101.538; 93.524; 102.071 | 2275 | Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiaoyan; Ma, Yunsheng; Yin, Wen-Yu; Cheng, Hong-Jian Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(II) metal-organic frameworks CrystEngComm, 2024 |
| 7248907 | CIF | C108 H84 Cd4 N17 O23 | P -1 | 13.257; 13.927; 15.53 63.623; 83.819; 81.009 | 2534.9 | Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiaoyan; Ma, Yunsheng; Yin, Wen-Yu; Cheng, Hong-Jian Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(II) metal-organic frameworks CrystEngComm, 2024 |
| 7248908 | CIF | C50 H42 O2 | P -1 | 9.5381; 11.076; 18.5558 97.365; 102.275; 93.924 | 1890.41 | Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko Comprehensive Analysis of C–H···π(alkyne) Interactions in Crystal Packing of Diastereomers of 1,2-Di(7'-methoxynaphth-1'-yl)-3,6-di(4''-n–propylphenylethynyl)benzene CrystEngComm, 2024 |
| 7248909 | CIF | C50 H42 O2 | P 21 21 21 | 13.4062; 13.48; 20.5669 90; 90; 90 | 3716.76 | Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko Comprehensive Analysis of C–H···π(alkyne) Interactions in Crystal Packing of Diastereomers of 1,2-Di(7'-methoxynaphth-1'-yl)-3,6-di(4''-n–propylphenylethynyl)benzene CrystEngComm, 2024 |
| 9017408 | CIF | C Ca O3 | P 65 | 7.112; 7.112; 25.4089 90; 90; 120 | 1113.01 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017409 | CIF | C Ca O3 | P 32 2 1 | 7.1239; 7.1239; 25.3203 90; 90; 120 | 1112.85 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017410 | CIF | C Ca O3 | A m a 2 | 8.4905; 6.3905; 4.5026 90; 90; 90 | 244.305 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017411 | CIF | C Ca O3 | P 21 21 21 | 4.3668; 6.5831; 8.4282 90; 90; 90 | 242.286 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
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