Crystallography Open Database
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Searching journal of publication like 'CrystEngComm'
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 7206470 | CIF | O Sn | P 4/n m m :2 | 3.8494; 3.8494; 4.894 90; 90; 90 | 72.52 | Guo, Y. Q.; Tan, R. Q.; Li, X.; Zhao, J. H.; Luo, Z. L.; Gao, C.; Song, W. J. Shape-controlled growth and single-crystal XRD study of submillimeter-sized single crystals of SnO CrystEngComm, 2011, 13, 5677 |
| 7228524 | CIF | Se | P 31 2 1 | 4.3125; 4.3125; 4.9711 90; 90; 120 | 80.065 | Boeré, René; Hill, Nathan D. D. High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls CrystEngComm, 2017 |
| 7212242 | CIF | Cu O | C 1 2/c 1 | 4.6837; 3.4226; 5.1288 90; 99.54; 90 | 81.08 | Volanti, Diogo P.; Orlandi, Marcelo O.; Andrés, Juan; Longo, Elson Efficient microwave-assisted hydrothermal synthesis of CuO sea urchin-like architectures via a mesoscale self-assembly CrystEngComm, 2010, 12, 1696 |
| 7222460 | CIF | Sn | I 41/a m d :1 | 5.8393; 5.8392763; 3.1876 90; 90; 90 | 108.689 | Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries CrystEngComm, 2015, 17, 8500 |
| 7241191 | CIF | Bi F3 H2 O | P 63/m | 6.1202; 6.1202; 3.6957 90; 90; 120 | 119.883 | Liu, Xian; Yang, Can; Wu, Qi; Sun, Juan; Liang, Fei From BiF3 to BiF3·H2O: Diverse Bi(Ⅲ) Coordination for Structural Transformation and Birefringence Regulation CrystEngComm, 2020 |
| 7243652 | CIF | Fe2.667 O8 W1.333 | P b c n | 4.57964; 5.58662; 4.9692 90; 90; 90 | 127.136 | Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations CrystEngComm, 2021, 23, 7298-7304 |
| 7240704 | CIF | As Co F Sm | P 4/n m m :2 | 3.95554; 3.95554; 8.24623 90; 90; 90 | 129.023 | Lin, Dan; Luo, Qinxin; Zheng, Hui; Tang, Lulu; Zhan, Wenqi; Tang, Kaibin A new oxygen-free cobalt-based compound SmCoAsF with multiple magnetic transitions CrystEngComm, 2020 |
| 7220561 | CIF | C2 D5 N O2 | P 1 n 1 | 4.8695; 5.7118; 5.4416 90; 117.468; 90 | 134.289 | Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine CrystEngComm, 2015, 17, 5315 |
| 7224572 | CIF | Nb2.667 O8 Zn1.333 | P b c n | 4.7283; 5.7208; 5.0331 90; 90; 90 | 136.14 | Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6 CrystEngComm, 2016, 18, 2929 |
| 7206075 | CIF | O2 Ti | I 41/a m d :1 | 3.785; 3.785; 9.5196 90; 90; 90 | 136.38 | Rezaee, Masih; Mousavi Khoie, Seyyed Mohammad; Liu, Kun Hua The role of brookite in mechanical activation of anatase-to-rutile transformation of nanocrystalline TiO2: An XRD and Raman spectroscopy investigation CrystEngComm, 2011, 13, 5055 |
| 7220562 | CIF | C2 D5 N O2 | P 1 n 1 | 5.0092; 5.9924; 5.4976 90; 115.298; 90 | 149.2 | Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine CrystEngComm, 2015, 17, 5315 |
| 7219517 | CIF | C6 H4 Cl N O2 | P 1 | 3.6779; 6.9371; 7.0372 61.6975; 80.0002; 89.5122 | 155.117 | Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid CrystEngComm, 2015, 17, 2389 |
| 7214849 | CIF | Al Ca Er O4 | I 4/m m m | 3.642; 3.642; 11.814 90; 90; 90 | 156.7 | Zhu, Zhaojie; Zeng, Huiyi; Li, Jianfu; You, Zhenyu; Wang, Yan; Huang, Zixiang; Tu, Chaoyang Growth, structure and spectral properties of a novel crystal CaErAlO4 for 2.7 μm lasers CrystEngComm, 2012, 14, 7423 |
| 7227257 | CIF | Al Ca Gd O4 | I 4/m m m | 3.6632; 3.6632; 11.998 90; 90; 90 | 161 | Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties CrystEngComm, 2017, 19, 537 |
| 7230772 | CIF | C5 H11 Cu N O6 | P -1 | 5.3066; 5.849; 5.599 96.76; 88.11; 95.53 | 171.7 | Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure CrystEngComm, 2018 |
| 7230766 | CIF | C5 H11 Cu N O6 | P -1 | 5.3448; 5.871; 5.67 96.33; 88.41; 96.33 | 175.7 | Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure CrystEngComm, 2018 |
| 7208461 | CIF | C5 H9 N O3 S | P 1 | 5.04324; 5.80332; 6.4627 95.944; 103.086; 102.516 | 177.525 | Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains CrystEngComm, 2012, 14, 5943 |
| 7208460 | CIF | C5 H9 N O3 S | P 1 | 5.053; 5.81773; 6.4717 96.051; 103.212; 102.439 | 178.456 | Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains CrystEngComm, 2012, 14, 5943 |
| 7230786 | CIF | C5 H11 Cu N O6 | P -1 | 5.3901; 5.8969; 5.72 95.95; 88.82; 96.958 | 179.49 | Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure CrystEngComm, 2018 |
| 7208459 | CIF | C5 H9 N O3 S | P 1 | 5.06381; 5.83621; 6.4864 96.162; 103.409; 102.331 | 179.669 | Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains CrystEngComm, 2012, 14, 5943 |
| 7245303 | CIF | Sb | R -3 m :H | 4.2851; 4.2851; 11.3128 90; 90; 120 | 179.9 | Zhao, Xuewen; Xu, Xuequan; Zhao, Rongzheng; Gu, Mengyue; Yang, Na; Huang, Lei; Fu, Chengcheng; Cheng, Yonghong; Zhang, Jinying A hetero-phase growth method to control the crystal growth of β-antimony single crystals with high quality and large sizes CrystEngComm, 2022 |
| 7208458 | CIF | C5 H9 N O3 S | P 1 | 5.07618; 5.8583; 6.5043 96.3; 103.661; 102.203 | 181.091 | Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains CrystEngComm, 2012, 14, 5943 |
| 7232133 | CIF | C2 H10 Cl2 Cu N2 O2 | P -1 | 3.7868; 5.6827; 8.7079 99.853; 98.563; 91.568 | 182.3 | Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J. Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands CrystEngComm, 2019, 21, 894 |
| 7230785 | CIF | C5 H11 Cu N O6 | P -1 | 5.4239; 5.9107; 5.755 95.38; 89.33; 96.927 | 182.35 | Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure CrystEngComm, 2018 |
| 7208457 | CIF | C5 H9 N O3 S | P 1 | 5.08996; 5.8843; 6.5214 96.452; 103.859; 102.076 | 182.703 | Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains CrystEngComm, 2012, 14, 5943 |
| 7231905 | CIF | C H6 Cl3 N Pb | P m -3 m | 5.6867; 5.6867; 5.6867 90; 90; 90 | 183.9 | Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method CrystEngComm, 2019, 21, 656 |
| 7210398 | CIF | C5 H9 N O3 S | P 1 | 5.1041; 5.9092; 6.5261 96.484; 103.696; 101.969 | 184.34 | Kumar, S. Sudalai; Nangia, Ashwini A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions CrystEngComm, 2013, 15, 6498 |
| 7230758 | CIF | C5 H11 Cu N O6 | P -1 | 5.4601; 5.9181; 5.784 94.58; 90; 96.582 | 185.07 | Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure CrystEngComm, 2018 |
| 7233037 | CIF | C4 H10 N2 O5.786 | P -1 | 5.5006; 5.8258; 6.5611 76.395; 67.816; 79.145 | 188.07 | Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V. Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone CrystEngComm, 2019, 21, 4961 |
| 7233039 | CIF | C4 H10 N2 O6 | P -1 | 5.654; 5.802; 6.648 76.505; 66.44; 79.984 | 193.59 | Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V. Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone CrystEngComm, 2019, 21, 4961 |
| 7243110 | CIF | Bi2 Ni2 O10 P2 | P -1 | 7.4211; 6.5606; 5.1633 83.817; 110.727; 123.412 | 195.03 | Colmont, Marie; Zadoya, Anastasiya; Darie, Céline; Domingos, Cyril; Leclercq, Bastien; Mentré, Olivier Direct Bi3±-Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph CrystEngComm, 2021, 23, 5124-5130 |
| 7216472 | CIF | C H3 Cl | C m c 21 | 5.967; 4.708; 6.984 90; 90; 90 | 196.2 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7204880 | CIF | C9 H4 F4 O | P 1 | 4.0302; 6.24; 8.22 104.97; 92.28; 91.73 | 199.37 | Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon CrystEngComm, 2004, 6, 184 |
| 7227895 | CIF | C6 H4 Cl2 N2 Ni | P 1 1 m | 9.50494; 7.58104; 3.513186 90; 90; 128.019 | 199.433 | Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U. 4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction CrystEngComm, 2017, 19, 2216 |
| 7248397 | CIF | B4 Co1.76 Ni4.24 O12 | P n n m | 4.4917; 5.4314; 8.3789 90; 90; 90 | 204.41 | Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasil’ev, Alexander D.; Maximov, Nikolai; Aleksandrovsky, A.S.; Andryushchenko, Tatyana; Shabanov, Alexander Crystal growth and cation order of Ni3-xCoxB2O6 oxyborates CrystEngComm, 2024 |
| 7245902 | CIF | Ag Cr2 H4 O10 Sc | P -1 | 5.586; 6.054; 7.432 110.74; 90.21; 117.34 | 204.564 | Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm, 2023, 25, 86-94 |
| 7216471 | CIF | C H3 Cl | C m c 21 | 6.018; 4.832; 7.035 90; 90; 90 | 204.6 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7243940 | CIF | Cl4 K2 Pt | P 4/m m m | 7.0688; 7.0688; 4.157 90; 90; 90 | 207.72 | Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED CrystEngComm, 2021, 23, 8622-8630 |
| 7241837 | CIF | As2 O3 | P 1 21/n 1 | 4.5713; 11.4696; 4.007 90; 94.792; 90 | 209.36 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7241849 | CIF | As2 O3 | P 1 21/n 1 | 4.5726; 11.4835; 4.0105 90; 94.821; 90 | 209.84 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7200842 | CIF | C4 H8 O2 | P 1 21/n 1 | 5.659; 6.41; 5.892 90; 98.36; 90 | 211.46 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes CrystEngComm, 2009, 11, 1240 |
| 7245810 | CIF | La Ni2 Si | R -3 m :H | 4.0263; 4.0263; 15.066 90; 90; 120 | 211.51 | Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks CrystEngComm, 2022 |
| 7212546 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.4609; 5.8592; 8.427 75.991; 86.055; 83.349 | 212.08 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7230297 | CIF | F3 Sc | P 6/m m m | 7.81632; 7.81632; 4.01147 90; 90; 120 | 212.246 | Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V. Strong negative thermal expansion in the hexagonal polymorph of ScF3 CrystEngComm, 2018, 20, 2768 |
| 7241847 | CIF | As2 O3 | P 1 21/n 1 | 4.5965; 11.5222; 4.0319 90; 94.769; 90 | 212.8 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7241841 | CIF | As2 O3 | P 1 21/n 1 | 4.6069; 11.5455; 4.04391 90; 94.803; 90 | 214.34 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7208188 | CIF | C8 H8 N2 O4 | P -1 | 5.1006; 6.1168; 6.9894 85.396; 82.199; 85.176 | 214.76 | Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis CrystEngComm, 2012, 14, 5203 |
| 7241831 | CIF | As2 O3 | P 1 21/n 1 | 4.6166; 11.5551; 4.0512 90; 94.807; 90 | 215.35 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7212545 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.4832; 5.8932; 8.465 76.234; 85.836; 83.284 | 215.5 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7240194 | CIF | C2 H3 F O2 Pb | P 1 21 1 | 12.757; 4.129; 4.1284 90; 90.058; 90 | 217.46 | Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb) CrystEngComm, 2020 |
| 7241839 | CIF | As2 O3 | P 1 21/n 1 | 4.6442; 11.6134; 4.07822 90; 94.7902; 90 | 219.19 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7212544 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.51; 5.9287; 8.503 76.528; 85.624; 83.203 | 219.27 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7207729 | CIF | C6 H4 I2 N2 | P -1 | 4.2383; 7.3655; 7.8486 113.047; 99.614; 93.365 | 220.2 | Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee Diiodoacetylene: compact, strong ditopic halogen bond donor CrystEngComm, 2012, 14, 3033 |
| 7216470 | CIF | C H3 Cl | C m c 21 | 6.183; 4.904; 7.317 90; 90; 90 | 221.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7241851 | CIF | As2 O3 | P 1 21/n 1 | 4.6657; 11.67; 4.1027 90; 94.7684; 90 | 222.61 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7203167 | CIF | C2 H5 Cl N2 | P 1 21 1 | 5.028; 9.68; 5.246 90; 118.522; 90 | 224.34 | Wishkerman, Sara; Bernstein, Joel Characterization of the polymorphs of aminoacetonitrile hydrochloride and crystal structure of the stable polymorph CrystEngComm, 2006, 8, 245 |
| 7226342 | CIF | C10 H8 N4 | P -1 | 3.7762; 5.8688; 10.3157 90.165; 95.411; 99.256 | 224.59 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 7212543 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.676; 5.8115; 8.543 77.95; 85.11; 82.77 | 224.8 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7241834 | CIF | As2 O3 | P 1 21/n 1 | 4.7015; 11.7503; 4.1387 90; 94.764; 90 | 227.85 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7226343 | CIF | C10 H8 N4 | P -1 | 3.8373; 5.9282; 10.3247 90.671; 95.227; 100.693 | 229.73 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 7212542 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.693; 5.9013; 8.599 77.48; 84.97; 82.35 | 229.99 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7200215 | CIF | C10 H4 N2 S2 | P -1 | 3.809; 7.4518; 8.2086 87.936; 85.485; 82.126 | 230 | MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M. 5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I) CrystEngComm, 2009, 11, 160 |
| 7216477 | CIF | C H3 Br | C m c 21 | 6.236; 5.017; 7.394 90; 90; 90 | 231.3 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7203098 | CIF | C4 H4 N2 O2 | P 1 21/c 1 | 3.7239; 11.01; 5.683 90; 96.237; 90 | 231.62 | Babu, N. Jagadeesh; Nangia, Ashwini High Z′ polymorphs have shorter C‒H⋯O interactions and O‒H⋯O hydrogen bonds CrystEngComm, 2007, 9, 980 |
| 7219316 | CIF | C2 H5 N O2 | P 31 | 7.0051; 7.0051; 5.4758 90; 90; 120 | 232.706 | Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm, 2015, 17, 1513 |
| 7219318 | CIF | C2 H5 N O2 | P 31 | 7.0047; 7.0047; 5.4772 90; 90; 120 | 232.739 | Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm, 2015, 17, 1513 |
| 7219317 | CIF | C2 H5 N O2 | P 31 | 7.0045; 7.0045; 5.4789 90; 90; 120 | 232.797 | Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm, 2015, 17, 1513 |
| 7219319 | CIF | C2 H5 N O2 | P 31 | 7.0055; 7.0055; 5.4774 90; 90; 120 | 232.8 | Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm, 2015, 17, 1513 |
| 7241840 | CIF | As2 O3 | P 1 21/n 1 | 4.7371; 11.82822; 4.16968 90; 94.711; 90 | 232.84 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7216469 | CIF | C H3 Cl | C m c 21 | 6.314; 5.031; 7.334 90; 90; 90 | 233 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7241848 | CIF | As2 O3 | P 1 21/n 1 | 4.7416; 11.8243; 4.17264 90; 94.7608; 90 | 233.14 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7246431 | CIF | C4 H4 N2 O2 | P 1 21/c 1 | 3.7348; 11.013; 5.7044 90; 96.47; 90 | 233.14 | Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang Improving the stability of hydrazinium pentazolate through cocrystallization CrystEngComm, 2023, 25, 2027-2031 |
| 7206709 | CIF | C2 Ag F6 O6 S2 | P -1 | 4.9117; 5.1136; 11.033 79.955; 75.771; 61.571 | 235.68 | Malinowski, Przemysław J.; Mazej, Zoran; Derzsi, Mariana; Jagličić, Zvonko; Szydłowska, Jadwiga; Gilewski, Tomasz; Grochala, Wojciech Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]\ιnfty chains hosting antiferromagnetism CrystEngComm, 2011, 13, 6871 |
| 7216065 | CIF | C4 H4 N2 O3 | P -1 | 4.6195; 7.0493; 7.3452 88.169; 81.504; 86.245 | 235.998 | Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L. Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test CrystEngComm, 2005, 7, 421 |
| 7247026 | CIF | Cs0.82 Fe1.62 Se2 | I 4/m m m | 3.9472; 3.9472; 15.2401 90; 90; 90 | 237.447 | Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments CrystEngComm, 2023, 25, 4620-4637 |
| 7241842 | CIF | As2 O3 | P 1 21/n 1 | 4.7786; 11.9057; 4.1994 90; 94.695; 90 | 238.11 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7212541 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.728; 6.0501; 8.684 76.54; 84.73; 81.67 | 238.6 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7231977 | CIF | C2 Cs2 N8 O4 | P -1 | 5.3925; 7.3559; 7.4275 61.64; 87.56; 69.5 | 240.09 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
| 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 |
| 7216476 | CIF | C H3 Br | C m c 21 | 6.378; 5.133; 7.413 90; 90; 90 | 242.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7202888 | CIF | H4 I Na O2 | P -1 | 5.9566; 7.0989; 7.1164 109.5; 98.39; 114.69 | 243 | Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A. Energy aspect of the chemical bonding peculiarities in the crystal of sodium iodide dihydrate CrystEngComm, 2007, 9, 632 |
| 7241844 | CIF | As2 O3 | P 1 21/n 1 | 4.8132; 11.9681; 4.23271 90; 94.6883; 90 | 243.01 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7241850 | CIF | As2 O3 | P 1 21/n 1 | 4.8178; 11.97404; 4.2306 90; 94.607; 90 | 243.27 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 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 |
| 7212540 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.76; 6.1455; 8.737 76.06; 84.56; 81.25 | 244.71 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7225287 | CIF | C H6 I3 N Pb | P m -3 m | 6.2723; 6.2723; 6.2723 90; 90; 90 | 246.76 | Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability CrystEngComm, 2016, 18, 5257 |
| 7230566 | CIF | Dy O6 Sc2 Tb | P n m a | 5.72409; 7.91013; 5.45235 90; 90; 90 | 246.873 | Guguschev, C.; Hidde, J.; Gesing, T. M.; Gogolin, M.; Klimm, D. Czochralski growth and characterization of TbxGd1−xScO3 and TbxDy1−xScO3 solid-solution single crystals CrystEngComm, 2018, 20, 2868 |
| 7216475 | CIF | C H3 Br | C m c 21 | 6.387; 5.163; 7.492 90; 90; 90 | 247.1 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7246604 | CIF | Eu S2 | P 1 21/a 1 | 7.909; 3.95477; 7.94357 90; 90.0831; 90 | 248.461 | Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S. Structural, optical and transport properties of layered europium disulfide synthesized under high pressure CrystEngComm, 2023, 25, 2966-2978 |
| 7241833 | CIF | As2 O3 | P 1 21/n 1 | 4.8627; 12.05705; 4.2663 90; 94.603; 90 | 249.33 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7205663 | CIF | C8 H10 N2 O6 | P 1 | 4.9179; 5.4897; 9.5322 92.426; 102.087; 94.81 | 250.28 | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I. Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid CrystEngComm, 2011, 13, 3122 |
| 7217419 | CIF | Cl O3 Rb U | P 1 21/m 1 | 7.3602; 4.1127; 8.5556 90; 104.602; 90 | 250.62 | Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs) CrystEngComm, 2014, 16, 7259 |
| 7226508 | CIF | C H2 Cl Hg N5 | P 1 21 1 | 5.8459; 6.9731; 6.1725 90; 94.27; 90 | 250.92 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 7224729 | CIF | C10 H10 Br2 N2 | P -1 | 4.8011; 7.275; 7.759 71.06; 86.46; 78.64 | 251.3 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7216474 | CIF | C H3 Br | P n m a | 4.331; 6.358; 9.142 90; 90; 90 | 251.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
| 7245326 | CIF | Ca H8 O14 P2 V2 | P 1 | 6.3369; 6.341; 6.5675 85.841; 73.143; 89.946 | 251.84 | Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system CrystEngComm, 2022 |
| 7201188 | CIF | C6 H4 Cu N8 O4 | P -1 | 6.3272; 6.8535; 6.9057 112.863; 102.779; 103.167 | 252.162 | Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S. Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism CrystEngComm, 2009, 11, 2089 |
| 7241832 | CIF | As2 O3 | P 1 21/n 1 | 4.8892; 12.10248; 4.2841 90; 94.569; 90 | 252.69 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7241835 | CIF | As2 O3 | P 1 21/n 1 | 4.8883; 12.1119; 4.28963 90; 94.6135; 90 | 253.15 | Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644 |
| 7216473 | CIF | C H3 Br | P n m a | 4.372; 6.375; 9.196 90; 90; 90 | 256.3 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
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