Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544455 | CIF | Ir Nd3 O7 | C m c m | 10.8991; 7.4464; 7.493 90; 90; 90 | 608.12 | Nishimine, H.; Doi, Y.; Hinatsu, Y.; Sato, M. Phase transition of Ln3IrO7 (Ln=Pr,Nd,Sm,Eu) and its low-temperature structure sample: at 400 K Journal of the Ceramic Society of Japan, 2007, 115, 557-581 |
| 1544456 | CIF | Ag O2 Yb | R -3 m | 3.372; 3.372; 18.214 90; 90; 120 | 179.35 | Saito, A.; Sawaguchi, N.; Sasaki, M. Synthesis and crystal structure of AgYbO2 Journal of the Ceramic Society of Japan, 2008, 116, 118-120 |
| 1544457 | CIF | Ba La Mn O4 | C c c m | 5.504; 5.502; 13.265 90; 90; 90 | 401.7 | Nakano, H.; Kawabata, N.; Kamegashira, N. New phase of BaLaMnO4-x formed by annealing in a reduced atmosphere Journal of the Ceramic Society of Japan, 2008, 116, 445-448 |
| 1544458 | CIF | C11 H11 Cl N2 O5 | P 1 21/c 1 | 6.98145; 21.3099; 8.10016 90; 97.9679; 90 | 1193.46 | Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides. Chemical science, 2017, 8, 1570-1575 |
| 1544459 | CIF | H2 O25 Ti12 | C 1 2/m 1 | 12.4485; 3.74414; 19.9523 90; 95.244; 90 | 926.06 | Kataoka, K.; Akimoto, J. Soft chemical synthesis and crystal structure of novel hydrogen titanium oxide H2Ti12O25 Journal of the Ceramic Society of Japan, 2016, 124, 710-713 |
| 1544460 | CIF | Al7.61 N6.39 O2.61 Si0.39 | P 63/m m c | 3.05831; 3.05831; 42.9942 90; 90; 120 | 348.26 | Nishimine, H.; Suzuki, Y.; Banno, H.; Asaka, T.; Fukuda, K. Disordered crystal structure of 16H-SiAlON, Si3-xAl5+xOxN9-x (x~2.6) Journal of the Ceramic Society of Japan, 2016, 124, 875-880 |
| 1544461 | CIF | Ce Li O8 W2 | I 41/a | 5.294; 5.294; 11.498 90; 90; 90 | 322.2 | Shimemura, T.; Sawaguchi, N.; Sasaki, M. Synthesis and emission properties of scheelite-type LiCe(WO4)2 Journal of the Ceramic Society of Japan, 2016, 124, 938-942 |
| 1544462 | CIF | C27 H32 N2 O7 | P -1 | 9.067; 9.572; 14.08 89.833; 82.205; 85.541 | 1207 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544463 | CIF | C25 H32 Cl2 N2 O6 | P 21 21 21 | 7.8529; 15.3187; 20.944 90; 90; 90 | 2519.5 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544464 | CIF | C31 H38 N2 O5 | I 4 | 27.2685; 27.2685; 7.6863 90; 90; 90 | 5715.3 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544465 | CIF | C25 H30 N2 O7 | P 21 21 21 | 8.9658; 14.5779; 17.7311 90; 90; 90 | 2317.5 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544466 | CIF | Al7.9 N8.1 O1.9 Si1.1 | R -3 m | 3.05991; 3.05991; 71.454 90; 90; 120 | 579.395 | Banno, H.; Asaka, T.; Fukuda, K. Electron density distribution and crystal structure of 27R-SiAlON, Si3-xAl6+xOxN10-x (x~1.9) Journal of the Ceramic Society of Japan, 2014, 122, 281-287 |
| 1544467 | CIF | Co Li Mn O4 | F d -3 m | 8.05812; 8.05812; 8.05812 90; 90; 90 | 523.24 | Hamada, Y.; Hamao, N.; Kataoka, K.; Ishida, N.; Idemoto, Y.; Akimoto, J. Single crystal synthesis, crystal structure and electrochemical property of spinel-type LiCoMnO4 as 5 V positive electrode materials Journal of the Ceramic Society of Japan, 2016, 124, 706-710 |
| 1544468 | CIF | Eu2 O7 Zr2 | F d -3 m | 10.556; 10.556; 10.556 90; 90; 90 | 1176.25 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544469 | CIF | La2 O7 Zr2 | F d -3 m | 10.809; 10.809; 10.809 90; 90; 90 | 1262.86 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544470 | CIF | La2 O7 Zr2 | F d -3 m | 10.812; 10.812; 10.812 90; 90; 90 | 1263.92 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544471 | CIF | Nd2 O7 Zr2 | F d -3 m | 10.631; 10.631; 10.631 90; 90; 90 | 1201.5 | Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M. Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction Journal of the Ceramic Society of Japan, 2013, 121, 205-210 |
| 1544472 | CIF | Mn O3 Sm | P b n m | 5.365; 5.8541; 7.468 90; 90; 90 | 234.55 | Maeda, H.; Ishiguro, Y.; Honda, T.; Jung, J.-S.; Michimura, S.; Inami, T.; Kimura, T.; Wakabayashi, Y. Structural investigation of magnetocapacitive SmMnO3 Journal of the Ceramic Society of Japan, 2013, 121, 265-267 |
| 1544473 | CIF | Mn O3 Sm | P b n m | 5.3694; 5.8649; 7.4803 90; 90; 90 | 235.56 | Maeda, H.; Ishiguro, Y.; Honda, T.; Jung, J.-S.; Michimura, S.; Inami, T.; Kimura, T.; Wakabayashi, Y. Structural investigation of magnetocapacitive SmMnO3 Journal of the Ceramic Society of Japan, 2013, 121, 265-267 |
| 1544474 | CIF | Li2 Mn O3 | C 1 2/m 1 | 4.9329; 8.5351; 5.026 90; 109.314; 90 | 199.7 | Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T. Structural variation of Li2MnO3 during charge-discharge cycling Journal of the Ceramic Society of Japan, 2015, 123, 589-594 |
| 1544475 | CIF | C22 H36 O7 | P 1 21 1 | 9.2381; 6.9763; 16.891 90; 90.987; 90 | 1088.43 | Zhang, Yan; Adnani, Navid; Braun, Doug R.; Ellis, Gregory A.; Barns, Kenneth J.; Parker-Nance, Shirley; Guzei, Ilia A.; Bugni, Tim S. Micromonohalimanes A and B: Antibacterial Halimane-Type Diterpenoids from a Marine Micromonospora Species Journal of Natural Products, 2016 |
| 1544476 | CIF | C29 H20 Br N O2 | P 21 21 21 | 9.7525; 12.6566; 18.224 90; 90; 90 | 2249.5 | Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones. Organic letters, 2016, 18, 5920-5923 |
| 1544477 | CIF | C22 H17 N O2 | P 21 21 21 | 9.2696; 12.0477; 15.0296 90; 90; 90 | 1678.47 | Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones. Organic letters, 2016, 18, 5920-5923 |
| 1544478 | CIF | C44 H56 N3 O Rh | P 1 21/n 1 | 11.4926; 17.417; 19.109 90; 103.684; 90 | 3716.4 | Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol., 2016, 6, 8548 |
| 1544479 | CIF | C45 H58 N3 O Rh | P 1 21/n 1 | 11.3475; 17.783; 19.583 90; 103.994; 90 | 3834.4 | Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol., 2016, 6, 8548 |
| 1544480 | CIF | C63 H72 N3 O Rh | P 1 21/n 1 | 11.4003; 29.8414; 16.2873 90; 105.512; 90 | 5339.1 | Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol., 2016, 6, 8548 |
| 1544481 | CIF | C20 H15 Br Cl2 O S | P 1 21/c 1 | 5.0603; 21.361; 17.169 90; 96.419; 90 | 1844.2 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544482 | CIF | C24 H16 Cl N O3 S | P 1 21/c 1 | 18.742; 15.6215; 13.97 90; 98.216; 90 | 4048.1 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544483 | CIF | C11 H8.5 F1.5 O2 S | P 1 21/c 1 | 6.0792; 14.673; 23.976 90; 91.386; 90 | 2138 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544484 | CIF | C45 H54 N4 O11 | P 43 21 2 | 16.2628; 16.2628; 35.9975 90; 90; 90 | 9520.6 | Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine. Journal of natural products, 2016, 79, 2709-2717 |
| 1544485 | CIF | C25 H38 O10 | P 1 21 1 | 9.1262; 11.2141; 13.5183 90; 99.968; 90 | 1362.61 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544486 | CIF | C24 H34 O9 | P 21 21 21 | 9.8736; 18.0856; 27.7795 90; 90; 90 | 4960.6 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544487 | CIF | C20 H32 O10 | P 21 21 21 | 10.3232; 11.0194; 19.2565 90; 90; 90 | 2190.53 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544488 | CIF | C25 H36 O9 | P 32 2 1 | 18.458; 18.458; 28.8647 90; 90; 120 | 8516.61 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544489 | CIF | C19 H32 O10 | P 41 | 10.2307; 10.2307; 20.5352 90; 90; 90 | 2149.36 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544490 | CIF | C25 H34 O9 | P 21 21 21 | 9.1352; 13.4879; 20.6303 90; 90; 90 | 2542 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544491 | CIF | C25 H36 O9 | P 32 2 1 | 18.4959; 18.4959; 28.8516 90; 90; 120 | 8547.7 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544492 | CIF | C25 H34 O9 | P 1 21 1 | 9.0537; 9.9085; 13.6295 90; 93.611; 90 | 1220.26 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544493 | CIF | C26 H40 O10 | P 61 | 22.8955; 22.8955; 9.7127 90; 90; 120 | 4409.31 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544494 | CIF | C23 H34 O8 | P 21 21 21 | 5.7156; 18.5622; 23.127 90; 90; 90 | 2453.64 | Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum. Journal of natural products, 2016, 79, 2479-2486 |
| 1544495 | CIF | Ca0.47 Co O2 | P 1 | 4.924; 5.683; 5.685 75.4; 89.974; 81.261 | 152.04 | Miyazaki, Y.; Huang, X.; Kajiwara, T.; Yamane, H.; Kajitani, T. Synthesis, crystal structure and physical properties of layered cobalt oxide CaxCoO2 (x~0.47) Journal of the Ceramic Society of Japan, 2009, 117, 42-46 |
| 1544496 | CIF | C6 Al3.96 Ge0.04 Zr3 | R 3 m :H | 3.31897; 3.31897; 46.7309 90; 90; 120 | 445.801 | Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan, 2009, 117, 22-26 |
| 1544497 | CIF | C5 Al3.93 Ge0.07 Zr2 | R 3 m :H | 3.32256; 3.32256; 40.9434 90; 90; 120 | 391.435 | Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan, 2009, 117, 22-26 |
| 1544498 | CIF | C7 Al7.52 Si0.48 Zr | R -3 m | 3.32214; 3.32214; 57.8236 90; 90; 120 | 552.677 | Iwata, T.; Hattori, E.; Sugiura, K.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Si-bearing layered carbides ZrAl8C7 and ZrAl4C4 Journal of the Ceramic Society of Japan, 2009, 117, 37-41 |
| 1544499 | CIF | C4 Al3.84 Si0.16 Zr | P 3 m 1 | 3.32349; 3.32349; 21.99241 90; 90; 120 | 210.374 | Iwata, T.; Hattori, E.; Sugiura, K.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Si-bearing layered carbides ZrAl8C7 and ZrAl4C4 Journal of the Ceramic Society of Japan, 2009, 117, 37-41 |
| 1544500 | CIF | Ga2 Mn Sb4 | I b a 2 | 11.807; 5.958; 5.858 90; 90; 90 | 412.1 | Sakakibara, W.; Hayashi, Y.; Takizawa, H. MnGa2Sb2, a new ferromagnetic compound synthesized under high pressure Journal of the Ceramic Society of Japan, 2009, 117, 72-75 |
| 1544501 | CIF | Ba S4 Sm2 | P n m a | 12.2464; 4.1219; 14.6816 90; 90; 90 | 741.1 | Misawa, Y.; Doi, Y.; Hinatsu, Y. Crystal structures and magnetic properties of ternary sulfides BaLn2S4 (Ln = Sm, Gd-Lu) Journal of the Ceramic Society of Japan, 2009, 117, 85-88 |
| 1544502 | CIF | Co5 O14.3 Sr6 | R 3 | 9.4334; 9.4334; 12.5156 90; 90; 120 | 964.54 | Iwasaki, K; Yamane, H.; Murase, T.; Yoshino, M.; Ito, T.; Nagasaki, T.; Arita, Y.; Matsui, T. Crystal structure of an oxygen deficient strontium cobaltate, Sr6Co5O14.3 Journal of the Ceramic Society of Japan, 2009, 117, 89-93 |
| 1544503 | CIF | Al0.91 Ca0.88 N2.85 O0.15 Si1.09 | C m c 21 | 9.802; 5.6506; 5.0633 90; 90; 90 | 280.442 | Uheda, K.; Yamamoto, H.; Yamane, H.; Inami, W.; Tsuda, K.; Yamamoto, Y.; Hirosaki, N. An analysis of crystal structure of Ca-deficient oxonitridoaluminosilicate, Ca0.88Al0.91Si1.09N2.85O0.15 Journal of the Ceramic Society of Japan, 2009, 117, 94-98 |
| 1544504 | CIF | Fe0.5 O3 Pb V0.5 | P 4 m m | 3.8034; 3.8034; 4.5097 90; 90; 90 | 65.237 | Tsuchiya, T.; Katsumata, T.; Ohba, T.; Inaguma, Y. High-pressure synthesis and characterization of a novel perovskite PbFe1/2V1/2O3 Journal of the Ceramic Society of Japan, 2009, 117, 102-105 |
| 1544505 | CIF | Ba0.96 Bi0.86 H0.41 O3 | P m -3 m | 4.2995; 4.2995; 4.2995 90; 90; 90 | 79.479 | Jiang, H.; Kumada, N.; Yonesaki, Y.; Takei, T.; Kinomura, N. Hydrothermal synthesis of a new perovskite-type bismuth oxide: Ba0.96Bi0.86O2.59(OH)0.41 Journal of the Ceramic Society of Japan, 2009, 117, 214-216 |
| 1544506 | CIF | H11 N2 O14 P3 Zr2 | C 1 2/c 1 | 17.093; 8.748; 9.216 90; 103.69; 90 | 1338.9 | Kumada, N.; Hinata, J.; Dong, Q.; Yonesaki, Y.; Takei, T.; Kinomura, N. Preparation and crystal structure of two types of zirconium phosphates by hydrothermal reaction Journal of the Ceramic Society of Japan, 2011, 119, 412-416 |
| 1544507 | CIF | H4 N O12 P3 Zr2 | P 21 3 | 10.198; 10.198; 10.198 90; 90; 90 | 1060.58 | Kumada, N.; Hinata, J.; Dong, Q.; Yonesaki, Y.; Takei, T.; Kinomura, N. Preparation and crystal structure of two types of zirconium phosphates by hydrothermal reaction Journal of the Ceramic Society of Japan, 2011, 119, 412-416 |
| 1544508 | CIF | C29 H23 Cl N4 O2 | P -1 | 11.0894; 11.1837; 11.8059 63.655; 83.383; 68.088 | 1215.08 | Zhou, Xiaorong; Fan, Zili; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang Construction of Pyrrolo[1,2-a]indoles via Cobalt(III)-Catalyzed Enaminylation of 1-(Pyrimidin-2-yl)-1H-indoles with Ketenimines and Subsequent Base-Promoted Cyclization. Organic letters, 2016, 18, 4706-4709 |
| 1544509 | CIF | C H8 Ho N O9 P S | P 1 21/a 1 | 12.938; 6.834; 9.1 90; 88.12; 90 | 804.2 | Kumada, N.; Kumon, J.; Miyagawa, K.; Yonesaki, Y.; Takei, T.; Kinomura, N.; Wang, D.; Yu, R. Preparation and crystal structure of [enH2]0.5[Ho(HPO4)(SO4)(H2O)] (en; ethylenediamine) Journal of the Ceramic Society of Japan, 2010, 118, 236-240 |
| 1544510 | CIF | C16 H20 Cl2 Ir N2 O2 | P -1 | 7.8768; 8.0811; 8.6738 68.1; 66.086; 61.433 | 432.1 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544511 | CIF | C16 H20 Cl2 Ir N2 O2 | I 41/a | 16.9129; 16.9129; 25.3688 90; 90; 90 | 7256.6 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544512 | CIF | C16 H23 Cl2 Ir N2 O3 | P -1 | 8.8884; 9.6675; 12.5862 95.132; 109.482; 110.349 | 929.79 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544513 | CIF | C18 H24 Cl2 Ir N2 O3 | P 1 21/n 1 | 7.9001; 18.4626; 14.3136 90; 95.04; 90 | 2079.66 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544514 | CIF | C17 H22 Cl4 Ir N2 O2 | P 1 21/n 1 | 8.7599; 15.6388; 15.6017 90; 98.373; 90 | 2114.56 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544515 | CIF | C33 H48 Cl6 Ir2 N4 O6 | P 1 21/c 1 | 9.044; 13.823; 17.039 90; 95.227; 90 | 2121 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544516 | CIF | C8 H15 Cl4 Ir N Na O3.5 | P -1 | 8.4303; 13.4446; 14.3559 74.431; 85.859; 81.771 | 1550.31 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544517 | CIF | C33 H42 Cl6 Ir2 N4 O4 | P b c a | 14.9782; 15.0278; 17.4463 90; 90; 90 | 3927 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544518 | CIF | C11 H17.91 Cl Cu N7 O6 | P 21 21 21 | 6.9919; 11.5174; 20.7014 90; 90; 90 | 1667.05 | Queyriaux, Nicolas; Andreiadis, Eugen; Torelli, Stephane; Pecaut, Jacques; Veldkamp, Brad S.; Margulies, Eric A.; Wasielewski, Michael R.; Chavarot-Kerlidou, Murielle; Artero, Vincent CuAAC-based assembly and characterization of a ruthenium-copper dyad containing a diimine dioxime ligand framework Faraday Discuss., 2016 |
| 1544519 | CIF | As2 Ba O10 V2 | I 41/a :2 | 18.384; 18.384; 4.651 90; 90; 90 | 1571.9 | Wang, Sue-Lein; Cheng, Chih-Yi A(VO)2(AsO4)2 (A = Ba or Sr) : Two vanadyl(IV) arsenates containing dimers of edge-sharing VO6 octahedra Journal of Solid State Chemistry, 1994, 109, 277-280 |
| 1544520 | CIF | As2 O10 Sr V2 | I 41/a :2 | 18.131; 18.131; 4.669 90; 90; 90 | 1534.9 | Wang, Sue-Lein; Cheng, Chih-Yi A(VO)2(AsO4)2 (A = Ba or Sr) : Two vanadyl(IV) arsenates containing dimers of edge-sharing VO6 octahedra Journal of Solid State Chemistry, 1994, 109, 277-280 |
| 1544521 | CIF | C26 H32 N2 O4 Si | P 1 21/n 1 | 11.118; 19.642; 12.625 90; 110.85; 90 | 2576.5 | Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P. Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates. Organic letters, 2016, 18, 5884-5887 |
| 1544522 | CIF | C20 H18 N2 O4 | C 1 2/c 1 | 35.35; 5.606; 21.4 90; 124.417; 90 | 3498 | Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P. Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates. Organic letters, 2016, 18, 5884-5887 |
| 1544523 | CIF | C26 H32 N4 O4 Si | P -1 | 11.071; 13.272; 18.896 78.005; 87.787; 84.779 | 2704 | Deng, Yongming; Pei, Chao; Arman, Hadi; Dong, Kuiyong; Xu, Xinfang; Doyle, Michael P. Syntheses of Tetrahydropyridazine and Tetrahydro-1,2-diazepine Scaffolds through Cycloaddition Reactions of Azoalkenes with Enol Diazoacetates. Organic letters, 2016, 18, 5884-5887 |
| 1544524 | CIF | C17 H18 B Br F4 N4 | P 1 21/n 1 | 9.3019; 20.691; 10.107 90; 96.604; 90 | 1932.3 | Joshi, Madhur S.; Pigge, F. Christopher Construction of 1,2,4-Triazole Derivatives via Cyclocondensation of Alkylidene Dihydropyridines and Aryldiazonium Salts. Organic letters, 2016, 18, 5916-5919 |
| 1544525 | CIF HKL Paper | C8 H11 N O4 S | P 1 21/m 1 | 8.0644; 6.941; 8.6192 90; 105.039; 90 | 465.94 | Kennedy, Alan R.; Silva de Moraes, Lygia 4-Ammonio-5-methoxy-2-methylbenzenesulfonate IUCrData, 2016, 1, x161778 |
| 1544526 | CIF HKL | C9 H6 Cl N O S2 | P 1 21/n 1 | 3.9268; 20.752; 12.3431 90; 99.182; 90 | 992.9 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa 5-Anilino-4-chloro-3<i>H</i>-1,2-dithiol-3-one IUCrData, 2016, 1, x161736 |
| 1544527 | CIF HKL | C61 H91 N11 O9 | P 21 21 21 | 9.6524; 22.6947; 29.0945 90; 90; 90 | 6373.4 | Chitanda, Jackson Mulenga; Zhu, Jianfeng; Mausberg, Philip; Burnett, Peta-Gaye Gillian; Reaney, Martin J. T. [1‒9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate IUCrData, 2016, 1, x161706 |
| 1544528 | CIF HKL Paper | C2 H8 Cl2 N4 Pb S2 | P n a 21 | 21.1951; 4.028; 11.9433 90; 90; 90 | 1019.65 | Zouihri, Hafid; Yamni, Khalid; Messouss, Youssef; Tijani, Najib; Messaoudi, Lahcen Redetermination of <i>catena</i>-poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^4^<i>S</i>:<i>S</i>] at 100K IUCrData, 2016, 1, x161745 |
| 1544529 | CIF HKL | C18 H18 O4 S3 | C 1 2/c 1 | 15.071; 4.4304; 27.422 90; 106.59; 90 | 1754.8 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa Diethyl 2,2'-(trisulfane-1,3-diyl)dibenzoate IUCrData, 2016, 1, x161708 |
| 1544530 | CIF HKL Paper | C12 H10 N2 O4 | C 1 2/c 1 | 23.9226; 7.1372; 13.0562 90; 99.158; 90 | 2200.8 | Eltayeb, Naser Eltaher Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate IUCrData, 2016, 1, x161689 |
| 1544531 | CIF HKL Paper | C18 H22 Cl Mn N2 O10 | P b c a | 13.978; 13.208; 22.137 90; 90; 90 | 4087 | Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K IUCrData, 2016, 1, x161735 |
| 1544532 | CIF HKL Paper | C13 H12 N6 O | P 1 21/c 1 | 14.7907; 4.80351; 17.1203 90; 92.067; 90 | 1215.56 | Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R. 6-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazine-5-carboxamide IUCrData, 2016, 1, x161742 |
| 1544533 | CIF | H O6 P Tl V | P b c a | 9.257; 17.518; 6.81 90; 90; 90 | 1104.3 | Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P. Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4) Journal of Solid State Chemistry, 1991, 93, 514-525 |
| 1544534 | CIF | H O16 P3 Tl3 V3 | P n m a | 7.16; 13.378; 14.422 90; 90; 90 | 1381.4 | Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P. Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4) Journal of Solid State Chemistry, 1991, 93, 514-525 |
| 1544535 | CIF | H3 Ni0.5 O6.5 P V | P n m a | 10.344; 9.35; 9.731 90; 90; 90 | 941.1 | Lii, K. H.; Mao, L. F. Hydrothermal synthesis and structural characterization of a nickel(II) vanadyl(IV) phosphate hydrate : Ni0.5VOPO4 . 1.5H2O Journal of Solid State Chemistry, 1992, 96, 436-441 |
| 1544536 | CIF | C24 H18 Br N O3 | P 21 21 21 | 8.8078; 9.5713; 23.675 90; 90; 90 | 1995.9 | Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate. Chemical science, 2017, 8, 1936-1941 |
| 1544537 | CIF | C49 H10 Au F15 I4 N4 | P 1 21/c 1 | 7.33; 22.65; 28.2 90; 101.877; 90 | 4582 | Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev One-Pot Conversion of Fluorophores to Phosphorophores. Organic letters, 2016, 18, 5840-5843 |
| 1544538 | CIF | C37.66667 H8.66667 Au Cl2 F15 N4 | I 41/a :2 | 21.092; 21.092; 45.876 90; 90; 90 | 20409 | Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev One-Pot Conversion of Fluorophores to Phosphorophores. Organic letters, 2016, 18, 5840-5843 |
| 1544539 | CIF | C38 H6 Cl2 Cu F15 I4 N4 | P 1 21/c 1 | 20.019; 13.865; 15.727 90; 111.499; 90 | 4061.5 | Soll, Matan; Sudhakar, Kolanu; Fridman, Natalia; Müller, Alexander; Röder, Beate; Gross, Zeev One-Pot Conversion of Fluorophores to Phosphorophores. Organic letters, 2016, 18, 5840-5843 |
| 1544540 | CIF | C41 H54 O9 | P -1 | 10.923; 14.1551; 14.1908 108.623; 93.277; 90.412 | 2075.1 | Tian, Dong Song; Yi, Ping; Xia, Lei; Xiao, Xin; Fan, Yi Min; Gu, Wei; Huang, Lie Jun; Ben-David, Yaacov; Di, Ying Tong; Yuan, Chun Mao; Hao, Xiao Jiang Garmultins A–G, Biogenetically Related Polycyclic Acylphloroglucinols from Garcinia multiflora Organic Letters, 2016 |
| 1544541 | CIF HKL Paper | C15 H13 N O2 | P -1 | 9.455; 11.9077; 12.212 62.429; 79.276; 77.627 | 1184.46 | Kaur, Manpreet; Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; El-Emary, Talaat I.; Albayati, Mustafa R. 3-(9<i>H</i>-Carbazol-9-yl)propanoic acid IUCrData, 2016, 1, x161787 |
| 1544542 | CIF HKL Paper | C22 H14 Cl2 N4 Zn | P 1 21/n 1 | 10.804; 13.6433; 13.2159 90; 97.8812; 90 | 1929.65 | Tezuka, Yosuke; Tsuge, Kiyoshi; Ohtsu, Hideki [2-(2,2'-Bipyridin-6-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]dichloridozinc IUCrData, 2016, 1, x161779 |
| 1544543 | CIF HKL Paper | C22 H18 Fe2 O3 | P b c a | 14.8773; 12.2499; 19.3288 90; 90; 90 | 3522.59 | McAdam, C. John; Simpson, Jim Ferrocenecarboxylic anhydride: a redetermination IUCrData, 2016, 1, x161769 |
| 1544544 | CIF HKL Paper | C44 H54 Cd N4 O10 | P -1 | 6.366; 15.282; 21.575 88.968; 87.985; 79.217 | 2060.5 | Travis, Jamelah Z.; LaDuca, Robert L. <i>catena</i>-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ^2^<i>O</i>,<i>O</i>'}cadmium(II)]-μ-<i>N</i>,<i>N</i>'-bis(pyridine-4-carboxamido)piperazine-κ^2^<i>N</i>:<i>N</i>'] IUCrData, 2016, 1, x161764 |
| 1544545 | CIF HKL Paper | C10 H12 O3 | P 1 21/c 1 | 7.9543; 13.3271; 8.8107 90; 92.761; 90 | 932.92 | Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. 1-(3,4-Dimethoxyphenyl)ethanone IUCrData, 2016, 1, x161794 |
| 1544546 | CIF HKL Paper | C17 H14 Cl N3 O4 | P -1 | 7.5691; 7.7907; 14.904 101.911; 91.311; 107.224 | 818.06 | Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter 2-(4-Chloro-2-nitrophenyl)-5-[4-(propyloxy)phenyl]-1,3,4-oxadiazole IUCrData, 2016, 1, x161782 |
| 1544547 | CIF | Al H O2 | P 21 n m | 4.71247; 4.22417; 2.83203 90; 90; 90 | 56.3752 | Komatsu, K.; Sano-Furukawa, A.; Kagi, H. Effects of Mg and Si ions on the symmetry of delta-AlOOH Physics and Chemistry of Minerals, 2011, 38, 727-733 |
| 1544548 | CIF | Al0.84 H Mg0.07 O2 Si0.07 | P n n m | 4.70456; 4.21232; 2.83681 90; 90; 90 | 56.2174 | Komatsu, K.; Sano-Furukawa, A.; Kagi, H. Effects of Mg and Si ions on the symmetry of delta-AlOOH Physics and Chemistry of Minerals, 2011, 38, 727-733 |
| 1544549 | CIF | Al H3 O3 | P 21 21 21 | 5.13972; 7.2556; 5.06349 90; 90; 90 | 188.826 | Matsui, M.; Komatsu, K.; Ikeda, E.; Sano-Furukawa, A.; Gotou, H.; Yagi, T. The crystal structure of delta-Al(OH)3: Neutron diffraction measurements and ab initio calculations American Mineralogist, 2011, 96, 854-859 |
| 1544550 | CIF | As Fe O4 | P 1 21/n 1 | 7.5636; 8.0795; 5.0117 90; 104.47; 90 | 296.55 | Cheetham, A.K.; David, W.I.F.; Eddy, M.M.; Jakeman, R.J.B.; Johnson, M.W.; Torardi, C.C. Crystal structure determination by powder neutron diffraction at the spallation neutron source, ISIS Nature, 1986, 320, 46-48 |
| 1544551 | CIF | Al O4 P | C m c m | 5.0365; 7.2908; 5.7491 90; 90; 90 | 211.11 | Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M. Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 13.9 GPa Nature Materials, 2007, 6, 698-702 |
| 1544552 | CIF | Al O4 P | P 1 2/m 1 | 3.838; 2.506; 4.036 90; 87.4; 90 | 38.78 | Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M. Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 97.5 GPa Nature Materials, 2007, 6, 698-702 |
| 1544553 | CIF | C46 H32 O5 | P 21 21 21 | 9.6965; 17.3653; 19.2464 90; 90; 90 | 3240.8 | Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri A mechanistic study of the Lewis acid–Brønsted base–Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone Catal. Sci. Technol., 2017, 7, 90 |
| 1544554 | CIF | C25 H32 Si2 | P b c a | 6.657; 34.537; 19.811 90; 90; 90 | 4555 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544555 | CIF | C29 H34 Si2 | P 1 21/c 1 | 15.291; 11.701; 14.17 90; 93.057; 90 | 2532 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544556 | CIF | C27 H36 N2 O2 Si2 | P -1 | 7.221; 11.79; 16.389 110.915; 93.663; 94.99 | 1291.6 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544557 | CIF | C23 H11 F8 N3 O | P 1 21/c 1 | 6.5595; 41.849; 6.9922 90; 94.939; 90 | 1912.3 | Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study. Chemical science, 2017, 8, 2086-2090 |
| 1544558 | CIF | C32 H22 F4 I2 N6 O2 | P 1 21/c 1 | 15.842; 5.698; 16.7517 90; 94.72; 90 | 1507 | Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study. Chemical science, 2017, 8, 2086-2090 |
| 1544559 | CIF | B K O6 Si2 | I -4 3 d | 12.604; 12.604; 12.604 90; 90; 90 | 2002.28 | Ihara, M.; Kamei, F. Crystal structure of potassium borosilicate, K2O*B2O3*4SiO2 Yogyo-Kyokai-Shi, 1980, 88, 32-35 |
| 1544560 | CIF | K Nb O3 | A 2 m m | 3.9807; 5.688; 5.711 90; 90; 90 | 129.31 | Sugimoto, W.; Mimuro, K.; Sugahara, Y.; Kuroda, K. Synthesis and structural study of the KNb4O6-type compound Journal of the Ceramic Society of Japan, 1999, 107, 318-321 |
| 1544561 | CIF | K Nb4 O6 | P 4/m m m | 4.1396; 4.1396; 8.256 90; 90; 90 | 141.48 | Sugimoto, W.; Mimuro, K.; Sugahara, Y.; Kuroda, K. Synthesis and structural study of the KNb4O6-type compound Journal of the Ceramic Society of Japan, 1999, 107, 318-321 |
| 1544562 | CIF | O4 Ti Zn2 | F d -3 m | 8.46952; 8.46952; 8.46952 90; 90; 90 | 607.542 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544563 | CIF | O4 Ta0.12 Ti0.88 Zn1.94 | F d -3 m | 8.4836; 8.4836; 8.4836 90; 90; 90 | 610.577 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544564 | CIF | O4 Ta0.16 Ti0.84 Zn1.92 | F d -3 m | 8.48834; 8.48834; 8.48834 90; 90; 90 | 611.601 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544565 | CIF | O4 Ta0.15 Ti0.85 Zn1.925 | F d -3 m | 8.48707; 8.48707; 8.48707 90; 90; 90 | 611.327 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544566 | CIF | O4 Ta0.14 Ti0.86 Zn1.93 | F d -3 m | 8.48584; 8.48584; 8.48584 90; 90; 90 | 611.061 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544567 | CIF | O4 Ta0.1 Ti0.9 Zn1.95 | F d -3 m | 8.48705; 8.48705; 8.48705 90; 90; 90 | 611.322 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544568 | CIF | O4 Ta0.6 Ti0.4 Zn1.7 | P 43 2 2 | 6.08818; 6.08818; 8.40919 90; 90; 90 | 311.694 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544569 | CIF | O4 Ta0.15 Ti0.85 Zn1.925 | P 43 2 2 | 6.02256; 6.02256; 8.42382 90; 90; 90 | 305.542 | Takai, S.; Shinohara, T.; Hoshikawa, A.; Harjo, S.; Oikawa, K.; Ishigaki, T.; Kamiyama, T.; Esaka, T. Neutron diffraction study on the defect structure of Ta-substituted Zn2TiO4 oxide ion conductors Journal of the Ceramic Society of Japan, 2007, 115, 780-785 |
| 1544570 | CIF | La9.33 O26 Si6 | P 63 | 9.72; 9.72; 7.1859 90; 90; 120 | 587.96 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544571 | CIF | Al2 La10 O26 Si4 | P 63 | 9.715; 9.715; 7.233 90; 90; 120 | 591.2 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544572 | CIF | Al La9.67 O26 Si5 | P 63 | 9.716; 9.716; 7.213 90; 90; 120 | 589.69 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544573 | CIF | Al0.5 La9.5 O26 Si5.5 | P 63 | 9.723; 9.723; 7.205 90; 90; 120 | 589.88 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544574 | CIF | Al1.5 La9.8 O26 Si4.5 | P 63 | 9.717; 9.717; 7.227 90; 90; 120 | 590.95 | Ueda, K. Effect of Al-doping on crystal structure and ionic conductivity of apatite-type La9.33+x/3Si6-xAlxO26 solid electrolytes Journal of the Ceramic Society of Japan, 2012, 120, 74-76 |
| 1544575 | CIF | O4 Ta0.15 Ti0.85 Zn1.925 | F d -3 m | 8.488; 8.488; 8.488 90; 90; 90 | 611.5 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 300 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544576 | CIF | Al0.15 O4 Ta0.15 Ti0.7 Zn2 | F d -3 m | 8.474; 8.474; 8.474 90; 90; 90 | 608.51 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 300 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544577 | CIF | Al0.15 O4 Ta0.15 Ti0.7 Zn2 | F d -3 m | 8.481; 8.481; 8.481 90; 90; 90 | 610.02 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 400 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544578 | CIF | Al0.15 O4 Ta0.15 Ti0.7 Zn2 | F d -3 m | 8.4891; 8.4891; 8.4891 90; 90; 90 | 611.77 | Takai, S.; Okada, H.; Ohoyama, K.; Esaka, T. Defect structure of Ta- and Al-doped Zn2TiO4 showing oxide ion conduction via cation vacancy :Sample at 500 K Journal of the Ceramic Society of Japan, 2008, 116, 525-529 |
| 1544579 | CIF HKL | C23 H15 N5 S2 Zn | P 1 21/n 1 | 11.518; 25.095; 23.137 90; 98.217; 90 | 6619 | Wang, An-ran; Wang, Cong; Li, Sheng-Li (4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate IUCrData, 2016, 1, x161758 |
| 1544580 | CIF HKL | C16 H16 N2 O2 | P -1 | 8.1948; 9.563; 9.7528 68.106; 73.141; 85.379 | 678.37 | Ping, Zhang; Ting, Zhang; Song, Chang-Chun 9-Butyl-3-nitro-9<i>H</i>-carbazole IUCrData, 2016, 1, x161776 |
| 1544581 | CIF HKL Paper | C12 H12 N2 O5 | P -1 | 3.7072; 11.4251; 14.3713 70.748; 88.425; 83.284 | 570.68 | Eltayeb, Naser Eltaher Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate IUCrData, 2016, 1, x161741 |
| 1544582 | CIF HKL Paper | C16 H34 Cl N5 | P 1 21/c 1 | 21.598; 7.0666; 13.3909 90; 105.031; 90 | 1973.85 | El Bakri, Youness; Harmaoui, Abdallah; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 4-Amino-5-tetradecylamino-4<i>H</i>-1,2,4-triazol-1-ium chloride IUCrData, 2016, 1, x161819 |
| 1544583 | CIF HKL | C20 H14 Cu N4 O5 | P -1 | 9.948; 9.955; 12.043 66.38; 82.99; 61.08 | 952.6 | Tao, Hong-Hong; Chen, Yu-Han; Liu, Ya-Sai; Deji, Zhuo-Ga Poly[(μ~3~-5-hydroxyisophthalato)[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]copper] IUCrData, 2016, 1, x161802 |
| 1544584 | CIF HKL Paper | C13 H11 F N4 O | P 1 21/c 1 | 3.9166; 16.6608; 18.8096 90; 93.232; 90 | 1225.44 | Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S. 5-(2-Ethoxy-4-fluorophenyl)-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine IUCrData, 2016, 1, x161770 |
| 1544585 | CIF HKL Paper | C14 H12 N2 O6 | P 1 21/c 1 | 7.683; 17.309; 11.172 90; 109.26; 90 | 1402.6 | Devi, S. Reena; Kalaiyarasi, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G. 4-Methylpyridinium 2-carboxy-6-nitrobenzoate IUCrData, 2016, 1, x161803 |
| 1544586 | CIF HKL | C13 H9 N O | P 1 21 1 | 12.957; 5.3621; 14.44 90; 109.548; 90 | 945.4 | Wang, Cong; Wang, An-Ran; Li, Sheng-Li 9<i>H</i>-Carbazole-9-carbaldehyde IUCrData, 2016, 1, x161757 |
| 1544587 | CIF HKL Paper | C14 H19 N5 O | P 1 21/c 1 | 9.7056; 7.7663; 20.262 90; 93.49; 90 | 1524.45 | Geetha, Selvaraj; Yuva Priya, Muniraj Krishnaveni; Chandralekha, Kuppan; Thennarasu, Sathiah; Lakshmi, Srinivasakannan <i>N</i>-[3-Methyl-1-phenyl-1-(1<i>H</i>-tetrazol-1-yl)butan-2-yl]acetamide IUCrData, 2016, 1, x161810 |
| 1544588 | CIF | C35 H48 N2 O Zn | P 1 21 1 | 8.453; 18.142; 10.3805 90; 97.637; 90 | 1577.8 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544589 | CIF | C80 H100 N4 O4 Zn2 | P -1 | 12.0439; 12.0523; 13.1052 91.335; 107.129; 109.096 | 1702.7 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544590 | CIF | C89 H98 N4 O4 Si2 Zn2 | P 1 21 1 | 10.894; 33.799; 21.937 90; 101.82; 90 | 7906 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544591 | CIF | C29 H45 N3 O2 Zn | P 1 21/c 1 | 11.1804; 13.0247; 19.4626 90; 95.724; 90 | 2820 | Ebrahimi, Tannaz; Aluthge, Dinesh C.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa Highly Active Chiral Zinc Catalysts for Immortal Polymerization of β-Butyrolactone Form Melt Processable Syndio-Rich Poly(hydroxybutyrate) Macromolecules, 2016 |
| 1544592 | CIF | C30 H36 S4 | P -1 | 9.0286; 9.0591; 9.4956 81.785; 73.648; 66.336 | 682.18 | Dong, Xin; Tian, Hongkun; Xie, Zhiyuan; Geng, Yanhou; Wang, Fosong Donor–acceptor conjugated polymers based on two-dimensional thiophene derivatives for bulk heterojunction solar cells Polym. Chem., 2017, 8, 421 |
| 1544593 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.8604; 7.8604; 9.5702 90; 90; 120 | 512.08 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 1 atm Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544594 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.768; 7.768; 9.496 90; 90; 120 | 496.2 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 3.6 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544595 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.751; 7.751; 9.475 90; 90; 120 | 492.98 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 4.4 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544596 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.708; 7.708; 9.435 90; 90; 120 | 485.5 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 6.2 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544597 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.649; 7.649; 9.381 90; 90; 120 | 475.3 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 9.1 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544598 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.644; 7.644; 9.372 90; 90; 120 | 474.25 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 9.4 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544599 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.624; 7.624; 9.347 90; 90; 120 | 470.5 | Kuribayashi, T.; Kudoh, Y.; Kagi, H. Compressibility of phase A, Mg7Si2H6O14 up to 11.2 GPa : Sample at 10.8 GPa Journal of Mineralogical and Petrological Sciences, 2003, 98, 215-234 |
| 1544600 | CIF | Al1.84 Ca2 Fe0.16 H2 O12 Si3 | P m a 2 | 18.487; 5.4801; 4.6306 90; 90; 90 | 469.13 | Akasaka, M.; Hashimoto, H.; Makino, K.; Hino, R. 57Fe Mossbauer and X-ray Rietveld studies of ferrian prehnite from Kouragahara, Shimane Peninsula, Japan : Model Pma2 Journal of Mineralogical and Petrological Sciences, 2003, 98, 31-40 |
| 1544601 | CIF | Al1.84 Ca2 Fe0.16 H2 O12 Si3 | P m n a | 18.487; 4.6302; 5.4802 90; 90; 90 | 469.1 | Akasaka, M.; Hashimoto, H.; Makino, K.; Hino, R. 57Fe Mossbauer and X-ray Rietveld studies of ferrian prehnite from Kouragahara, Shimane Peninsula, Japan : Model Pmna Journal of Mineralogical and Petrological Sciences, 2003, 98, 31-40 |
| 1544602 | CIF | C56 H72 F12 N4 O2 Si2 Zn2 | P 1 21/c 1 | 11.3281; 24.0698; 13.5639 90; 110.91; 90 | 3454.8 | Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B. A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide Chem. Sci., 2017, 8, 1876 |
| 1544603 | CIF | C31 H45 F6 N3 Si2 Zn | P -1 | 10.5225; 11.8495; 16.4988 91.643; 107.641; 115.266 | 1742.8 | Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B. A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide Chem. Sci., 2017, 8, 1876 |
| 1544604 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6774; 8.8405; 8.4554 90; 90; 90 | 349.6 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, 1173 K Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544605 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6593; 8.8121; 8.4171 90; 90; 90 | 345.6 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, 573 K Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544606 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.668; 8.8244; 8.434 90; 90; 90 | 347.4 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, 873 K Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544607 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6489; 8.7935; 8.3957 90; 90; 90 | 343.2 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax08 at 1 atm, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544608 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.5949; 8.7252; 8.264 90; 90; 90 | 331.32 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax05 at 6.2 GPa, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544609 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6047; 8.7423; 8.2932 90; 90; 90 | 333.85 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax05 at 5.1 GPa, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544610 | CIF | Al2.01 F1.57 H0.43 O4.43 Si | P b n m | 4.6539; 8.8063; 8.394 90; 90; 90 | 344.02 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y. Effect of temperature and pressure on the crystal structure of topaz, Al2SiO4(OH,F)2 : Sample Pax05 at 1 atm, room temperature Journal of Mineralogical and Petrological Sciences, 2003, 98, 167-180 |
| 1544611 | CIF | O2 Si | P m -3 n | 13.4104; 13.4104; 13.4104 90; 90; 90 | 2411.71 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 84 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 1544612 | CIF | O2 Si | ? | 26.786; 26.786; 13.3351 90; 90; 90 | 9567.8 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at -50 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 1544613 | CIF | O2 Si | ? | 26.808; 26.808; 13.394 90; 90; 90 | 9626 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 60 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 1544614 | CIF | E1.19 Nb0.39 O4 R Ta0.58 Ti0.02 Y0.81 | P 1 2/a 1 | 5.292; 5.452; 5.1149 90; 95.89; 90 | 146.8 | Hori, H.; Kobayashi, T.; Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shimizu, M. Iwashiroite-(Y), YTaO3, a new mineral from Suishoyama, Kawamata town, Fukushima Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2006, 101, 170-177 |
| 1544615 | CIF | H0.06 Mg1.985 O4 Si0.993 | P b n m | 4.756; 10.208; 5.988 90; 90; 90 | 290.71 | Kudoh, Y.; Kuribayashi, T.; Kagi, H.; Inoue, T. Cation vacancy and possible hydrogen positions in hydrous forsterite, Mg1.985Si0.993H0.06O4, synthesized at 13.5 GPa and 1300 ?C Journal of Mineralogical and Petrological Sciences, 2006, 101, 265-269 |
| 1544616 | CIF | Fe0.14 H0.06 Mg1.85 O4 Si0.99 | P b n m | 4.762; 10.216; 5.99 90; 90; 90 | 291.41 | Kudoh, Y.; Kuribayashi, T.; Litasov, K.; Ohtani, E. Cation vacancies and possible hydrogen atom positions in Fe-bearing hydrous forsterite, Mg1.85Fe0.14Si0.99H0.06O4, synthesized at 13.5 GPa and 1400 ?C Journal of Mineralogical and Petrological Sciences, 2007, 102, 306-310 |
| 1544617 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.604; 12.604; 5.1144 90; 90; 120 | 703.6 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 173 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544618 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.631; 12.631; 5.132 90; 90; 120 | 709.1 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 293 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544619 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.659; 12.659; 5.1676 90; 90; 120 | 717.2 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 473 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544620 | CIF | C1.21 Al5.71 Ca0.95 Na6.84 O24 S0.15 Si6.3 | P 63 | 12.681; 12.681; 5.1827 90; 90; 120 | 721.8 | Isupova, D.; Ida, A.; Kihara, K.; Morishita, T.; Bulka, G. Asymmetric thermal vibrations of atoms and pyroelectricity in cancrinite : Sample at 673 K Journal of Mineralogical and Petrological Sciences, 2010, 105, 29-41 |
| 1544621 | CIF | Cr0.02 K1.93 Mg2.02 O7 Si2 | P -3 1 m | 5.0756; 5.0756; 6.5969 90; 90; 120 | 147.179 | Matsuzaki, T.; Hagiya, K.; Shatskiy, A.; Katsura, T.; Matsui, M. Crystal structure of anhydrous phase X, K1.93(Mg2.02Cr0.02)Si2.00O7 Journal of Mineralogical and Petrological Sciences, 2010, 105, 303-308 |
| 1544622 | CIF | Fe0.193 Mn1.787 Mo3.01 O8 | P 63 m c | 5.8052; 5.8052; 10.2277 90; 90; 120 | 298.5 | Nishio-Hamane, D.; Tomita, N.; Minakawa, T.; Inaba, S. Iseite, Mn2Mo3O8, a new mineral from Ise, Mie Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2013, 108, 37-41 |
| 1544623 | CIF | Fe0.35 Mg1.64 O4 Si | P b n m | 4.7673; 10.2492; 6.0021 90; 90; 90 | 293.269 | Ejima, T.; Akasaka, M.; Ohfuji, H. Oxidation state of Fe in olivine in a lherzolite xenolith from Oku district, Oki-Dogo island, Shimane Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2011, 106, 246-254 |
| 1544624 | CIF | Fe0.38 Mg1.62 O4 Si | P b n m | 4.7686; 10.2542; 6.0036 90; 90; 90 | 293.565 | Ejima, T.; Akasaka, M.; Nagao, T.; Ohfuji, H. Oxidation state of Fe in olivine in andesitic scoria from Kasayama volcano, Hagi, Yamaguchi Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2012, 107, 215-225 |
| 1544625 | CIF | Al7 B3 Ca Fe3 H4 O31 Si5 | R 3 m :H | 15.929; 15.929; 7.183 90; 90; 120 | 1578.39 | Nishio-Hamane, D.; Minakawa, T.; Yamaura, J.-I.; Oyama, T.; Ohnishi, M.; Shimobayashi, N. Adachiite, a Si-poor member of the tourmaline supergroup from the Kiura mine, Oita Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2014, 109, 74-78 |
| 1544626 | CIF HKL Paper | C25 H20 N4 O S | P 1 21/c 1 | 21.8833; 5.7007; 16.8054 90; 100.234; 90 | 2063.12 | Sebbar, Nada Kheira; Ellouz, Mohamed; Boulhaoua, Mohammed; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. (2<i>Z</i>)-2-Benzylidene-4-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData, 2016, 1, x161823 |
| 1544627 | CIF HKL | C3 Cl2 O S2 | P 1 21/n 1 | 8.678; 7.9332; 8.734 90; 98.62; 90 | 594.5 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa 4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one IUCrData, 2016, 1, x161820 |
| 1544628 | CIF HKL | C7 H4 S3 | P 1 21/n 1 | 4.0062; 10.739; 17.178 90; 95.237; 90 | 736 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa A second polymorph of 3<i>H</i>-1,2-benzodithiole-3-thione IUCrData, 2016, 1, x161799 |
| 1544629 | CIF | C56 H68 B4 Cl8 Fe2 N14 O12 | P 1 21/c 1 | 19.4453; 15.7177; 23.5873 90; 109.174; 90 | 6809.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544630 | CIF | C43 H54 B4 Cl6 Fe2 N14 O12 | P -1 | 8.4174; 19.6607; 20.1792 60.961; 79.048; 87.787 | 2860.9 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544631 | CIF | C226 H267 B20 F16 Fe8 N65 O48 Pd2 | P -1 | 20.2193; 20.6255; 21.5175 63.61; 76.958; 85.618 | 7828.1 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544632 | CIF | C160 H192 B20 F16 Fe8 N56 O48 Pd2 | P 1 2/c 1 | 41.2884; 14.0841; 54.0058 90; 97.789; 90 | 31115.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544633 | CIF | C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 | P -1 | 21.3764; 21.4422; 23.5362 105.44; 91.132; 90.267 | 10396.1 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544634 | CIF | C244 H264 B20 F16 Fe8 N56 O56 Pd2 | P -1 | 20.6996; 21.9894; 23.0916 96.416; 91.4; 109.195 | 9843.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544635 | CIF | C264 H306 B20 F16 Fe8 N62 O56 Pd2 | P 4/m n c | 17.5471; 17.5471; 62.6742 90; 90; 90 | 19297.4 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544636 | CIF | As H O5 Zn2 | P n n m | 8.3428; 8.566; 6.0769 90; 90; 90 | 434.28 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1544637 | CIF | As H O5 Zn2 | P -1 | 5.8438; 6.7226; 5.6566 104.348; 92.32; 76.683 | 209.47 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1544638 | CIF | As H3 O6 Zn2 | P 1 21/c 1 | 12.8014; 7.939; 10.2262 90; 104.49; 90 | 1006.23 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1544639 | CIF | Ba0.97 O7 Si2 Sr0.03 V | C m c m | 5.3546; 15.249; 7.094 90; 90; 90 | 579.2 | Ito, M.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Nakai, I.; Kato, A. Crystal structure of suzukiite from the Mogurazawa mine, Gunma Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2014, 109, 222-227 |
| 1544640 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.8134; 8.3108; 11.0183 90; 110.418; 90 | 756.3 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -50 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544641 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.819; 8.308; 11.0121 90; 110.432; 90 | 756.1 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -40 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544642 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.826; 8.315; 11.026 90; 110.434; 90 | 758.3 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -30 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544643 | CIF | C H12 Ca O9 | C 1 2/c 1 | 8.878; 8.362; 11.088 90; 110.492; 90 | 771.1 | Tateno, N.; Kyono, A. Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -10 C Journal of Mineralogical and Petrological Sciences, 2014, 109, 157-168 |
| 1544644 | CIF | C70 H83 Sb4 Y3 | C 1 c 1 | 14.8643; 19.384; 24.2728 90; 107.004; 90 | 6688 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544645 | CIF | C70 H83 Dy3 Sb4 | C 1 c 1 | 14.8968; 19.3308; 24.2616 90; 106.568; 90 | 6696.5 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544646 | CIF | C70 H83 Dy3 Sb3 | C 1 c 1 | 15.113; 18.7437; 24.0965 90; 103.339; 90 | 6641.75 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544647 | CIF | C70 H83 Sb3 Y3 | C 1 c 1 | 15.1052; 18.7715; 24.1263 90; 103.437; 90 | 6653.68 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544648 | CIF | C18 H24 Sb2 | P -1 | 5.174; 7.9835; 11.2694 88.921; 79.679; 73.714 | 439.35 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544649 | CIF | C19 H35 N3 O7 | P 65 | 19.7793; 19.7793; 11.2095 90; 90; 120 | 3797.9 | Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish A self-assembled peptide mimetic of a tubular host and a supramolecular polymer Polym. Chem., 2017, 8, 396 |
| 1544650 | CIF HKL Paper | C43 H35 O4 P Sn | P 21 21 21 | 9.362; 17.7187; 22.1796 90; 90; 90 | 3679.2 | Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Renald, David (2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV) IUCrData, 2016, 1, x161840 |
| 1544651 | CIF HKL Paper | C22 H20 N2 O2 | P 1 21/c 1 | 8.9169; 17.636; 11.7937 90; 109.199; 90 | 1751.51 | Rida, Mohammed; El Bakri, Youness; Doumbia, Mohamadou Lamine; Essassi, El Mokhtar; Mague, Joel T. 1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData, 2016, 1, x161849 |
| 1544652 | CIF HKL Paper | C21 H20 Cl5 N4 Ni O1.5 | C 1 2/c 1 | 29.1709; 11.2898; 20.0517 90; 131.163; 90 | 4971.5 | Vasileiadou, Eugenia; Angaridis, Panagiotis A.; Raptis, Raphael G.; Mathivathanan, Logesh Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) chloride chloroform monosolvate hemihydrate IUCrData, 2016, 1, x161834 |
| 1544653 | CIF HKL Paper | C24 H24 N4 O S2 | P 21 21 21 | 5.8948; 17.7215; 22.0042 90; 90; 90 | 2298.66 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; R.Albayati, Mustafa 3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate IUCrData, 2016, 1, x161835 |
| 1544654 | CIF HKL Paper | C60 H50 Cl2 Si5 | P 1 21/n 1 | 11.6675; 33.682; 13.3653 90; 94.184; 90 | 5238.4 | Neumeyer, Felix; Kotil, Leyla; Auner, Norbert; Bolte, Michael 1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane IUCrData, 2016, 1, x161812 |
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