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 |
| 7241846 | CIF | As2 O3 | P 1 21/n 1 | 4.9201; 12.15166; 4.3032 90; 94.543; 90 | 256.47 | 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 |
| 7212539 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.835; 6.31; 8.895 74.62; 84.12; 80.67 | 257.7 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7205237 | CIF | C H3 N5 | P 21 21 21 | 4.8628; 3.0809; 17.2703 90; 90; 90 | 258.74 | Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior CrystEngComm, 2011, 13, 99 |
| 7233619 | CIF | H2 O6 P2 Ti | P 1 21/n 1 | 4.8518; 8.1747; 6.8142 90; 105.468; 90 | 260.48 | Wu, Junbiao; Lou, Luqi; Liu, Hang; Su, Tan; Wang, Zhuopeng; Li, Jiyang Ionothermal synthesis of a photoelectroactive titanophosphite with a three-dimensional open-framework CrystEngComm, 2019, 21, 5867 |
| 7217321 | CIF | C6 H8 Cu2 I2 N2 | P -1 | 4.2971; 8.22; 8.247 110.85; 102.04; 94.82 | 262.22 | Kitada, Nobuo; Ishida, Takayuki Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands CrystEngComm, 2014, 16, 8035 |
| 7224728 | CIF | C10 H10 Br2 N2 | P -1 | 4.845; 7.453; 7.875 70.89; 86.82; 77.82 | 262.6 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7229993 | CIF | C4 H6 O5 | P 1 21 1 | 5.7343; 6.799; 6.9949 90; 104.961; 90 | 263.47 | Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity CrystEngComm, 2018, 20, 1383 |
| 7200675 | CIF | C2 Br F4 I | P 1 21/n 1 | 5.7683; 6.0823; 8.0112 90; 109.92; 90 | 264.25 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes, CrystEngComm, 2009, 11, 1073 |
| 7241829 | CIF | As2 O3 | P 1 21/n 1 | 4.9826; 12.26098; 4.3436 90; 94.581; 90 | 264.51 | 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 |
| 7224800 | CIF | C8 H6 Br4 | P -1 | 4.3542; 7.3675; 8.714 72.481; 83.722; 84.917 | 264.52 | Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G. Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations CrystEngComm, 2016, 18, 3142 |
| 7212538 | CIF | C7 H6 Cl N3 O4 S2 | P 1 | 4.8746; 6.4011; 8.98 74.05; 83.54; 80.468 | 265.03 | Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth High-pressure structural studies of the pharmaceutical, chlorothiazide CrystEngComm, 2010, 12, 2533 |
| 7215357 | CIF | C H8 As N O3 | P 1 21 1 | 5.47942; 4.65117; 10.4691 90; 94.937; 90 | 265.823 | Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz Supramolecular structure of ammonium polyoxoarsenates(iii) CrystEngComm, 2011, 13, 6163 |
| 7215140 | CIF | Ge2 Sb2 Te5 | P -3 m 1 | 4.2257; 4.2257; 17.281 90; 90; 120 | 267.24 | Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5 CrystEngComm, 2013, 15, 4823 |
| 7215141 | CIF | Ge1.876 Sb2.039 Te5 | P -3 m 1 | 4.2257; 4.2257; 17.2809 90; 90; 120 | 267.24 | Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5 CrystEngComm, 2013, 15, 4823 |
| 7241641 | CIF | C2 H24 B4 N4 | P 1 21/m 1 | 4.9595; 7.185; 7.507 90; 91.847; 90 | 267.37 | Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng Syntheses, formation mechanisms and structures of a series of linear diborazanes CrystEngComm, 2021, 23, 404-410 |
| 7241830 | CIF | As2 O3 | P 1 21/n 1 | 5.0087; 12.31139; 4.3629 90; 94.593; 90 | 268.17 | 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 |
| 7201034 | CIF | C H3 I | P n m a | 4.2676; 6.572; 9.611 90; 90; 90 | 269.6 | Podsiadło, Marcin; Katrusiak, Andrzej High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations, CrystEngComm, 2009, 11, 1951 |
| 7224727 | CIF | C10 H10 Br2 N2 | P -1 | 4.874; 7.567; 7.936 70.73; 86.64; 77.47 | 269.7 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7215142 | CIF | Ge2 Sb2 Te5 | P -3 m 1 | 4.2374; 4.2374; 17.3459 90; 90; 120 | 269.73 | Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5 CrystEngComm, 2013, 15, 4823 |
| 7222459 | CIF | Sn | F d -3 m :1 | 6.467; 6.4665284; 6.4665284 90; 90; 90 | 270.42 | 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 |
| 7200672 | CIF | C2 Br2 F4 | P 1 21/n 1 | 5.768; 6.078; 8.08 90; 107.01; 90 | 270.88 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes, CrystEngComm, 2009, 11, 1073 |
| 7217420 | CIF | Cl Cs O3 U | P 1 21/m 1 | 7.7768; 4.1245; 8.7701 90; 105.468; 90 | 271.12 | 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 |
| 7215143 | CIF | Ge2 Sb2 Te5 | P -3 m 1 | 4.2434; 4.2434; 17.389 90; 90; 120 | 271.16 | Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5 CrystEngComm, 2013, 15, 4823 |
| 7215139 | CIF | Ge2 Sb2 Te5 | P -3 m 1 | 4.2418; 4.2418; 17.445 90; 90; 120 | 271.83 | Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5 CrystEngComm, 2013, 15, 4823 |
| 7231663 | CIF | C7 H14 Cl N O5 | P m -3 m | 6.4782; 6.4782; 6.4782 90; 90; 90 | 271.87 | Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun [C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature CrystEngComm, 2018, 20, 7058 |
| 7215138 | CIF | Ge2 Sb2 Te5 | P -3 m 1 | 4.2457; 4.2457; 17.449 90; 90; 120 | 272.4 | Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5 CrystEngComm, 2013, 15, 4823 |
| 7223287 | CIF | C13 H7 F4 N O | P 1 | 4.6457; 5.0544; 11.8597 100.967; 92.076; 92.987 | 272.72 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7224726 | CIF | C10 H10 Br2 N2 | P -1 | 4.8839; 7.622; 7.951 70.87; 86.78; 77.39 | 272.8 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7210075 | CIF | C H6 I N3 | P 1 21/m 1 | 5.23783; 7.54922; 6.98292 90; 96.7315; 90 | 274.212 | Szafrański, Marek; Jarek, Marcin Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide CrystEngComm, 2013, 15, 4617 |
| 7224725 | CIF | C10 H10 Br2 N2 | P -1 | 4.8986; 7.6614; 7.989 70.464; 87.005; 77.176 | 275.44 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7246284 | CIF | Hf O6 Se2 | P 1 21/c 1 | 4.9425; 8.5794; 6.9325 90; 110.1; 90 | 276.059 | Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8 CrystEngComm, 2023, 25, 1675-1682 |
| 7241828 | CIF | As2 O3 | P 1 21/n 1 | 5.0748; 12.42717; 4.4031 90; 94.604; 90 | 276.79 | 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 |
| 7241734 | CIF | C4 H6 O6 | P 1 21 1 | 6.1757; 5.9211; 7.7084 90; 100.434; 90 | 277.212 | Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid CrystEngComm, 2021, 23, 1052-1058 |
| 7241735 | CIF | C4 H6 O6 | P 1 21 1 | 6.1757; 5.9211; 7.7084 90; 100.434; 90 | 277.212 | Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid CrystEngComm, 2021, 23, 1052-1058 |
| 7208191 | CIF | C12 H10 N2 O4 | P -1 | 3.81056; 7.07204; 11.50344 94.9505; 93.5324; 115.275 | 277.604 | 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 |
| 7240887 | CIF | C12 H6 F4 N2 O2 | P -1 | 7.0409; 7.1841; 7.186 61.943; 65.01; 64.427 | 278.14 | Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C. ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds CrystEngComm, 2020 |
| 7241838 | CIF | As2 O3 | P 1 21/n 1 | 5.07859; 12.4595; 4.41318 90; 94.5756; 90 | 278.36 | 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 |
| 7246282 | CIF | O6 Se2 Zr | P 1 21/c 1 | 4.9739; 8.6018; 6.952 90; 110.177; 90 | 279.18 | Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8 CrystEngComm, 2023, 25, 1675-1682 |
| 7248574 | CIF | F3 H Mn Na2 O4 P | P 1 21/m 1 | 5.6785; 7.7011; 6.8171 90; 109.673; 90 | 280.72 | Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure CrystEngComm, 2024 |
| 7241843 | CIF | As2 O3 | P 1 21/n 1 | 5.09945; 12.4945; 4.42425 90; 94.5655; 90 | 280.997 | 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 |
| 7241826 | CIF | As2 O3 | P 1 21/n 1 | 5.1081; 12.49492; 4.4239 90; 94.591; 90 | 281.45 | 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 |
| 7208242 | CIF | C3 H4 Li O5 S | P -1 | 4.8192; 7.1534; 8.3947 92.21; 93.66; 101.87 | 282.23 | Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes CrystEngComm, 2012, 14, 5274 |
| 7210841 | CIF | C12 H14 O6 | P -1 | 4.97; 7.437; 7.9748 85.355; 82.615; 75.241 | 282.32 | Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries CrystEngComm, 2013, 15, 6845 |
| 7205236 | CIF | C H3 N5 | P 21 21 21 | 4.9624; 3.2575; 17.5375 90; 90; 90 | 283.494 | Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior CrystEngComm, 2011, 13, 99 |
| 7248175 | CIF | Ca3 Ga3 O14 Si2 Ta | P 3 2 1 | 8.112; 8.112; 4.9862 90; 90; 120 | 284.16 | Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method CrystEngComm, 2024, 26, 1550-1555 |
| 7201033 | CIF | C H3 I | P n m a | 4.3643; 6.6826; 9.773 90; 90; 90 | 285.03 | Podsiadło, Marcin; Katrusiak, Andrzej High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations, CrystEngComm, 2009, 11, 1951 |
| 7241827 | CIF | As2 O3 | P 1 21/n 1 | 5.1421; 12.56168; 4.4451 90; 94.552; 90 | 286.22 | 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 |
| 7200674 | CIF | C2 Br F4 I | P 1 21/n 1 | 5.9698; 6.1503; 8.236 90; 108.58; 90 | 286.63 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes, CrystEngComm, 2009, 11, 1073 |
| 7221865 | CIF | F5 O2 Pb2 V | P -1 | 5.6675; 7.3492; 8.3152 101.234; 108.995; 110.625 | 287.14 | Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6 CrystEngComm, 2015, 17, 8428 |
| 7226905 | CIF | C6 H5 N3 | P 1 21/m 1 | 4.3404; 7.7073; 8.6344 90; 91.363; 90 | 288.76 | Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm, 2017, 19, 11 |
| 7204575 | CIF | C4 H6 N2 O4 | P -1 | 5.5028; 7.0583; 8.2718 70.112; 85.814; 74.095 | 290.48 | Lewis, T. C.; Tocher, D. A.; Day, G. M.; Price, S. L. A computational and experimental search for polymorphs of parabanic acid ‒ a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/ CrystEngComm, 2003, 5, 3 |
| 7206642 | CIF | C6 H14 N2 | P 21 21 2 | 8.08; 4.914; 7.33 90; 90; 90 | 291 | Cai, Weizhao; Katrusiak, Andrzej Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure CrystEngComm, 2011, 13, 6742 |
| 7241836 | CIF | As2 O3 | P 1 21/n 1 | 5.1811; 12.63631; 4.46609 90; 94.516; 90 | 291.49 | 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 |
| 7219471 | CIF | C5 H6 N4 | P -1 | 5.55795; 7.25941; 7.726 84.431; 71.913; 80.163 | 291.642 | Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine CrystEngComm, 2015, 17, 2190 |
| 7230630 | CIF | C6 F4 O2 | P 1 21/c 1 | 6.5213; 5.3508; 8.8186 90; 106.896; 90 | 294.435 | Shukla, Rahul; Chopra, Deepak Characterization of the short OC⋯OC π-hole tetrel bond in the solid state CrystEngComm, 2018, 20, 3308 |
| 7202774 | CIF | C4 H6 Cu O5 | P n 21 m | 6.203; 6.7961; 6.998 90; 90; 90 | 295.01 | Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers CrystEngComm, 2007, 9, 478 |
| 7203648 | CIF | C12 H14 Cl2 N2 | P -1 | 4.3029; 5.7033; 12.6098 100.859; 95.703; 99.229 | 297.29 | Łukasz Dobrzycki; Krzysztof Woźniak On polymorphism and planarity of benzidine dihydrochloride CrystEngComm, 2006, 8, 780 |
| 7216584 | CIF | C6 H16 N6 Ni S2 | P -1 | 5.706; 7.19; 7.746 71.278; 88.176; 82.442 | 298.34 | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J. Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes CrystEngComm, 2002, 4, 539 |
| 7247106 | CIF | Al O7 P2 | P 63 m c | 5.1806; 5.1806; 12.8377 90; 90; 120 | 298.39 | Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures CrystEngComm, 2023, 25, 4864-4872 |
| 7241862 | CIF | As2 O3 | P 1 21/n 1 | 5.2635; 12.732; 4.46891 90; 94.675; 90 | 298.487 | 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 |
| 7241854 | CIF | As2 O3 | P 1 21/n 1 | 5.26373; 12.7447; 4.47691 90; 94.687; 90 | 299.328 | 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 |
| 7241825 | CIF | As2 O3 | P 1 21/n 1 | 5.2379; 12.75457; 4.49625 90; 94.413; 90 | 299.49 | 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 |
| 7221763 | CIF | C4 H5 Br N2 O | P -1 | 6.4176; 7.1023; 7.537 94.502; 100.535; 115.558 | 299.86 | Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P. Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach CrystEngComm, 2015, 17, 7381 |
| 7241857 | CIF | As2 O3 | P 1 21/n 1 | 5.26753; 12.7667; 4.48007 90; 94.738; 90 | 300.251 | 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 |
| 7241859 | CIF | As2 O3 | P 1 21/n 1 | 5.27158; 12.7597; 4.48224 90; 94.731; 90 | 300.465 | 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 |
| 7200673 | CIF | C2 Br F4 I | P 1 21/n 1 | 6.1357; 6.1449; 8.3967 90; 108.3; 90 | 300.57 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes, CrystEngComm, 2009, 11, 1073 |
| 7241853 | CIF | As2 O3 | P 1 21/n 1 | 5.27066; 12.7806; 4.48685 90; 94.579; 90 | 301.28 | 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 |
| 7218183 | CIF | C4 H4 Cl2 Co N2 | C m m m | 12.0014; 7.104; 3.538 90; 90; 90 | 301.64 | de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties CrystEngComm, 2014, 16, 10439 |
| 7200493 | CIF | C12 H10 O6 | P -1 | 3.7812; 6.1345; 13.3677 101.929; 93.522; 93.507 | 301.94 | Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs CrystEngComm, 2009, 11, 337-346 |
| 7203649 | CIF | C12 H14 Cl2 N2 | P -1 | 4.3493; 5.7526; 12.572 101.564; 95.572; 98.717 | 301.95 | Łukasz Dobrzycki; Krzysztof Woźniak On polymorphism and planarity of benzidine dihydrochloride CrystEngComm, 2006, 8, 780 |
| 7232196 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4003; 4.5981; 10.4452 90; 100.748; 90 | 302 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
| 7229191 | CIF | C4 H6 Cl N3 | P -1 | 4.9992; 7.3893; 8.8313 72.451; 78.656; 79.41 | 302.26 | Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases CrystEngComm, 2017 |
| 7201582 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.0866; 11.7731; 5.4595 90; 111.99; 90 | 303.157 | Netzel, Jeanette; Hofmann, Andreas; van Smaalen, Sander Accurate charge density of α-glycine by the maximum entropy method CrystEngComm, 2008, 10, 335 |
| 7246588 | CIF | C H4 N2 O2 | P 1 21/c 1 | 8.3422; 4.8944; 8.7962 90; 122.423; 90 | 303.16 | Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K. Polymorph II of hydroxyurea 150 years after its first synthesis CrystEngComm, 2023, 25, 2712-2716 |
| 7241861 | CIF | As2 O3 | P 1 21/n 1 | 5.28379; 12.8173; 4.49485 90; 94.618; 90 | 303.421 | 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 |
| 7241845 | CIF | As2 O3 | P 1 21/n 1 | 5.269; 12.82716; 4.51254 90; 94.364; 90 | 304.1 | 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 |
| 7241856 | CIF | As2 O3 | P 1 21/n 1 | 5.28841; 12.8335; 4.50014 90; 94.541; 90 | 304.46 | 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 |
| 7241860 | CIF | As2 O3 | P 1 21/n 1 | 5.2915; 12.8527; 4.50173 90; 94.533; 90 | 305.205 | 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 |
| 7241855 | CIF | As2 O3 | P 1 21/n 1 | 5.29025; 12.8566; 4.502 90; 94.44; 90 | 305.283 | 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 |
| 7215353 | CIF | As H4 N O2 | P 1 21/c 1 | 5.24562; 4.73223; 12.3051 90; 90.426; 90 | 305.447 | Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz Supramolecular structure of ammonium polyoxoarsenates(iii) CrystEngComm, 2011, 13, 6163 |
| 7206217 | CIF | C4 H4 Cl2 Cu N2 | C 1 2/m 1 | 12.02; 6.883; 3.712 90; 95.82; 90 | 305.5 | Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J. Isostructural coordination polymers: epitaxis vs. solid solution CrystEngComm, 2011, 13, 4311 |
| 7201032 | CIF | C H3 I | P n m a | 4.4968; 6.8417; 9.941 90; 90; 90 | 305.84 | Podsiadło, Marcin; Katrusiak, Andrzej High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations, CrystEngComm, 2009, 11, 1951 |
| 7238218 | CIF | C7 H8 O | P 1 21 1 | 5.84; 4.871; 10.764 90; 91.656; 90 | 306.1 | Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives CrystEngComm, 2010, 12, 3112 |
| 7241858 | CIF | As2 O3 | P 1 21/n 1 | 5.29393; 12.8775; 4.50545 90; 94.381; 90 | 306.251 | 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 |
| 7241852 | CIF | As2 O3 | P 1 21/n 1 | 5.29402; 12.885; 4.50656 90; 94.329; 90 | 306.531 | 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 |
| 7241393 | CIF | C2 H2 O4 | P b c a | 6.4914; 6.0556; 7.802 90; 90; 90 | 306.69 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 7216045 | CIF | C8 H14 Cu O8 P2 | P -1 | 5.1671; 6.3007; 10.029 75.102; 84.496; 76.61 | 306.72 | Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates CrystEngComm, 2014, 16, 7043 |
| 7201030 | CIF | C6 H8 Cl4 Hg2 N2 | P -1 | 3.895; 8.146; 9.945 80.398; 86.387; 80.858 | 306.95 | Mahmoudi, Ghodrat; Morsali, Ali Mercury(II) metal‒organic coordination polymers with pyrazine derivatives CrystEngComm, 2009, 11, 1868 |
| 7232195 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4341; 4.6151; 10.5313 90; 100.73; 90 | 307.25 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
| 7232197 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4342; 4.6146; 10.5397 90; 100.667; 90 | 307.53 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
| 7227841 | CIF | C4 H4 N2 O4 | P 1 21/c 1 | 3.8306; 10.3433; 7.9532 90; 102.516; 90 | 307.63 | Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V. π–hole interactions at work: crystal engineering with nitro-derivatives CrystEngComm, 2017, 19, 1933 |
| 7241394 | CIF | C2 H2 O4 | P b c a | 6.5045; 6.064; 7.8072 90; 90; 90 | 307.94 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 7200849 | CIF | C4 H6 O6 Zn | P 1 21/c 1 | 3.3969; 10.34413; 8.80754 90; 95.5452; 90 | 308.031 | Friščić, Tomislav; Fábián, László Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG) CrystEngComm, 2009, 11, 743 |
| 7231499 | CIF | Gd2.28 Li1.16 Mo4 O16 | I 41/a | 5.1932; 5.1932; 11.426 90; 90; 90 | 308.15 | Sun, Shijia; Qi, Wei; Chen, Weidong; Lou, Fei; Zhong, Degao; Hu, Chen; Zhang, Lizhen; Lin, Zhoubin; Teng, Bing Li2Gd4(MoO4)7 crystal preparation and spectral properties applying to 2.0 μm lasers CrystEngComm, 2018 |
| 7219515 | CIF | C6 H4 Cl N O2 | P -1 | 7.1603; 7.2376; 7.495 63.2313; 69.7053; 64.984 | 308.331 | 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 |
| 7201799 | CIF | C6 H5 N O3 | P 1 21 1 | 3.7455; 7.257; 11.424 90; 95.881; 90 | 308.9 | Barsky, Inna; Bernstein, Joel Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide CrystEngComm, 2008, 10, 669 |
| 7239796 | CIF | C4 H5 N3 O4 | P -1 | 5.6; 7.2286; 8.4078 109.17; 93.81; 103.285 | 309.12 | Widelicka, Małgorzata; Ławniczak, Paweł; Pietraszko, Adam; Pogorzelec-Glaser, Katarzyna; Łapiński, Andrzej Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers CrystEngComm, 2020, 22, 2031-2041 |
| 7206540 | CIF | C3 D7 N O2 | P 21 21 21 | 5.13617; 11.1258; 5.41457 90; 90; 90 | 309.41 | Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa CrystEngComm, 2011, 13, 5841 |
| 7210829 | CIF | C4 H14 Mn N8 O6 | P -1 | 6.3061; 6.9947; 7.908 76.149; 74.174; 69.324 | 309.99 | Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand CrystEngComm, 2013, 15, 8529 |
| 7241392 | CIF | C2 H2 O4 | P b c a | 6.5224; 6.0741; 7.8268 90; 90; 90 | 310.08 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 7207028 | CIF | C6 H20 Cu N4 O6 | P -1 | 6.4347; 6.917; 7.7596 90.268; 107.581; 108.201 | 310.89 | Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J. Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket CrystEngComm, 2012, 14, 116 |
| 7206641 | CIF | C6 H14 N2 | P 21 21 2 | 8.2; 5.13; 7.4 90; 90; 90 | 311 | Cai, Weizhao; Katrusiak, Andrzej Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure CrystEngComm, 2011, 13, 6742 |
| 7241824 | CIF | As2 O3 | P 1 21/n 1 | 5.3224; 12.94547; 4.53602 90; 94.289; 90 | 311.661 | 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 |
| 7230067 | CIF | Nb O4 Tb | C 1 2/c 1 | 7.173; 11.186; 5.156 90; 131.082; 90 | 311.8 | Guo, Jiayi; Ren, Junyu; Cheng, Rui; Dong, Qing; Gao, Cunyuan; Zhang, Xuzhao; Guo, Shiyi Growth, structural and thermophysical properties of TbNbO4 crystals CrystEngComm, 2018, 20, 1455 |
| 7241395 | CIF | C2 H2 O4 | P b c a | 6.5399; 6.0841; 7.8385 90; 90; 90 | 311.89 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 7207135 | CIF | C6 H10 N4 O8 S2 Zn | P -1 | 7.2109; 7.3813; 7.3993 61.433; 66.1; 71.148 | 312.1 | Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films CrystEngComm, 2012, 14, 908 |
| 7240922 | CIF | C2 H4 N6 Na O3 | P -1 | 3.752; 7.27; 12.06 106.15; 90.023; 98.389 | 312.3 | Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex CrystEngComm, 2020 |
| 7214428 | CIF | B3 Be4 K O9 | P 1 2/c 1 | 6.065; 4.463; 11.55 90; 90.081; 90 | 312.6 | Wang, Shichao; Ye, Ning; Zou, Guohong A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs) CrystEngComm, 2014, 16, 3971 |
| 7232198 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4551; 4.674; 10.547 90; 100.754; 90 | 312.63 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
| 7219229 | CIF | Ca O4 W | I 41/a :2 | 5.244797; 5.244797; 11.3813 90; 90; 90 | 313.076 | Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A. Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals CrystEngComm, 2015, 17, 1654 |
| 7219232 | CIF | Ca0.96 Eu0.04 O4 W | I 41/a :2 | 5.24682; 5.24682; 11.38143 90; 90; 90 | 313.321 | Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A. Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals CrystEngComm, 2015, 17, 1654 |
| 7219231 | CIF | Ca0.98 Eu0.02 O4 W | I 41/a :2 | 5.24643; 5.24643; 11.38357 90; 90; 90 | 313.333 | Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A. Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals CrystEngComm, 2015, 17, 1654 |
| 7219230 | CIF | Ca0.99 Eu0.01 O4 W | I 41/a :2 | 5.24701; 5.24701; 11.3846 90; 90; 90 | 313.431 | Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A. Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals CrystEngComm, 2015, 17, 1654 |
| 7215354 | CIF | As H4 N O2 | P 1 21/c 1 | 5.3555; 4.7543; 12.313 90; 90.124; 90 | 313.51 | Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz Supramolecular structure of ammonium polyoxoarsenates(iii) CrystEngComm, 2011, 13, 6163 |
| 7200677 | CIF | C2 F4 I2 | P 1 21/n 1 | 6.4133; 5.935; 8.4792 90; 103.68; 90 | 313.59 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes, CrystEngComm, 2009, 11, 1073 |
| 7212566 | CIF | C6 H2 Br F3 | P 1 c 1 | 6.038; 3.878; 13.594 90; 98.474; 90 | 314.83 | Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K. Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions CrystEngComm, 2010, 12, 2584 |
| 7241391 | CIF | C2 H2 O4 | P b c a | 6.5678; 6.0983; 7.8715 90; 90; 90 | 315.27 | Bhattacharya, Suman Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid CrystEngComm, 2020 |
| 7206539 | CIF | C3 D7 N O2 | P 21 21 21 | 5.18289; 11.194; 5.43875 90; 90; 90 | 315.54 | Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa CrystEngComm, 2011, 13, 5841 |
| 7215745 | CIF | C4 H8 O2 S2 | P 1 21/n 1 | 6.295; 6.3948; 8.09 90; 104.161; 90 | 315.77 | Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W. Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol CrystEngComm, 2014, 16, 4254 |
| 7204677 | CIF | C5 H8 Li N O4 | P 1 | 5.2961; 7.8521; 7.9506 90.03; 106.037; 95.972 | 315.89 | Wiesbrock, Frank; Schmidbaur, Hubert Lithium l-hydrogen-?-glutamate: A layer structure with asymmetrical tunnels formed by nets with two different macrocycles CrystEngComm, 2003, 5, 262 |
| 7223784 | CIF | Bi0.55 Mo O4 | I 41/a | 5.239; 5.239; 11.567 90; 90; 90 | 317.5 | Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal CrystEngComm, 2015, 17, 8746 |
| 7211955 | CIF | C4 H2 Cd2 O6 | P 1 21/c 1 | 3.5793; 10.4878; 8.5834 90; 99.551; 90 | 317.75 | Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies CrystEngComm, 2010, 12, 49 |
| 7208241 | CIF | C3 H6 Li O6 S | P -1 | 6.3752; 7.1912; 8.2477 73.61; 68.38; 66.73 | 318.76 | Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes CrystEngComm, 2012, 14, 5274 |
| 7206145 | CIF | C6 H4 N2 O3 | P 1 21/n 1 | 5.8638; 5.0832; 10.708 90; 92.124; 90 | 318.95 | Halasz, Ivan; Vančik, Hrvoj Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation CrystEngComm, 2011, 13, 4307 |
| 7214419 | CIF | C2 H7 N | P 1 21/c 1 | 8.9742; 5.21927; 7.40243 90; 112.972; 90 | 319.224 | Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines CrystEngComm, 2014, 16, 3867 |
| 7220357 | CIF | C12 H12 N2 O4 Pd | P -1 | 4.8536; 7.8906; 8.8251 78.1348; 86.3966; 75.122 | 319.65 | Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network CrystEngComm, 2015, 17, 4383 |
| 7229189 | CIF | C4 H6 Br N3 | P -1 | 5.0554; 7.5644; 9.029 72.096; 79.191; 80.625 | 320.68 | Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases CrystEngComm, 2017 |
| 7241491 | CIF | Cu1.94 S4 Sn Zn1.06 | I -4 2 m | 5.4383; 5.4383; 10.8455 90; 90; 90 | 320.76 | Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V. Cu2ZnSnS4 crystal growth using an SnCl2 based flux CrystEngComm, 2021, 23, 1025-1032 |
| 7211853 | CIF | C4 H3 Cl Cu2 N2 S | P -1 | 3.8822; 8.09; 10.318 96.751; 91.577; 93.729 | 320.93 | Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands CrystEngComm, 2010, 12, 1103 |
| 7232199 | CIF | C7 H7 N O2 | P 1 n 1 | 6.5086; 4.6661; 10.7596 90; 100.685; 90 | 321.1 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
| 7200990 | CIF | Ag F3 K | P n m a | 6.2689; 8.3015; 6.1844 90; 90; 90 | 321.844 | Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II), CrystEngComm, 2009, 11, 1702 |
| 7232423 | CIF | C10 H10 Cl2 Cu N6 O2 | P -1 | 3.661; 6.626; 13.7328 76.315; 89.743; 85.572 | 322.67 | Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism CrystEngComm, 2019, 21, 1910 |
| 7221761 | CIF | C4 H5 I N2 O | P -1 | 6.5261; 7.3488; 7.6401 96.998; 100.396; 113.411 | 323.04 | Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P. Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach CrystEngComm, 2015, 17, 7381 |
| 7248445 | CIF | C10 F18 | P -1 | 5.7499; 7.1098; 9.2311 111.689; 89.194; 111.435 | 323.19 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7248441 | CIF | C10 F18 | P -1 | 5.7433; 7.1269; 9.2269 111.701; 89.034; 111.392 | 323.68 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7233424 | CIF | C5 H2 Cl F3 N2 | P -1 | 5.0807; 7.6319; 8.5518 77.722; 89.064; 87.753 | 323.75 | Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6 CrystEngComm, 2019, 21, 5931 |
| 7205485 | CIF | C11 H16 N2 O6 Zn | P 1 | 6.188; 7.2073; 8.7257 102.042; 104.124; 113.839 | 323.824 | Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De A series of metal‒organic coordination polymers containing multiple chiral centers CrystEngComm, 2011, 13, 1570 |
| 7212537 | CIF | C3 D7 N O2 | P 21 21 21 | 5.2459; 11.3088; 5.4696 90; 90; 90 | 324.48 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7214735 | CIF | C5 H8 O3 S | P -1 | 5.679; 5.8215; 10.7072 103.502; 93.207; 107.717 | 324.78 | Shishkin, Oleg V.; Medvediev, Volodymyr V.; Zubatyuk, Roman I.; Shyshkina, Olena O.; Kovalenko, Nataliya V.; Volovenko, Julian M. Role of different molecular fragments in formation of the supramolecular architecture of the crystal of 1,1-dioxo-tetrahydro-1λ6-thiopyran-3-one CrystEngComm, 2012, 14, 8698 |
| 7206640 | CIF | C6 H14 N2 | P 21 21 2 | 8.345; 5.15; 7.558 90; 90; 90 | 324.8 | Cai, Weizhao; Katrusiak, Andrzej Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure CrystEngComm, 2011, 13, 6742 |
| 7227721 | CIF | C3 H3 Cl N3 Na O3 | P 63/m m c | 7.6807; 7.6807; 6.3662 90; 90; 120 | 325.246 | Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl CrystEngComm, 2017, 19, 1366 |
| 7219429 | CIF | C3 H7 N O2 | P 1 21/c 1 | 5.2593; 13.1; 4.7408 90; 94.32; 90 | 325.7 | Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V. β-Alanine under pressure: towards understanding the nature of phase transitions CrystEngComm, 2015, 17, 2074 |
| 7211482 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.178; 7.208; 8.889 90; 100.84; 90 | 325.8 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii) CrystEngComm, 2013, 15, 10193 |
| 7206146 | CIF | C6 H4 Cl N O | P 1 21/n 1 | 3.735; 6.533; 13.51 90; 98.38; 90 | 326.1 | Halasz, Ivan; Vančik, Hrvoj Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation CrystEngComm, 2011, 13, 4307 |
| 7211483 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.0908; 8.6939; 7.73 90; 107.141; 90 | 326.93 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii) CrystEngComm, 2013, 15, 10193 |
| 7212536 | CIF | C3 D7 N O2 | P 21 21 21 | 5.2626; 11.3404; 5.4786 90; 90; 90 | 326.96 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7212565 | CIF | C6 H2 Br F3 | P 1 c 1 | 6.105; 3.9567; 13.714 90; 99.163; 90 | 327 | Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K. Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions CrystEngComm, 2010, 12, 2584 |
| 7212567 | CIF | C6 H2 Br F3 | P 1 21 1 | 4.1069; 5.9634; 13.395 90; 93.949; 90 | 327.28 | Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K. Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions CrystEngComm, 2010, 12, 2584 |
| 7208456 | CIF | C4 H8 N O4 S | P -1 | 5.2521; 6.5844; 10.3311 87.44; 77.032; 70.505 | 328.02 | 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 |
| 7208640 | CIF | C14 H10 Cu N2 O8 | P -1 | 3.6687; 9.932; 10.204 114.093; 98.647; 97.244 | 328.2 | Chen, Xiaocui; Han, Shumin; Wang, Ruiyao Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate) CrystEngComm, 2012, 14, 6400 |
| 7227231 | CIF | C6 H8 N4 O2 | P 1 21/c 1 | 3.61996; 12.9546; 7.0224 90; 94.632; 90 | 328.24 | Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910 |
| 7246430 | CIF | C4 H14 N16 O2 | P -1 | 6.6303; 7.8338; 7.9449 117.137; 93.126; 111.674 | 328.63 | 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 |
| 7208455 | CIF | C4 H8 N O4 S | P -1 | 5.254; 6.5904; 10.3425 87.327; 77.009; 70.477 | 328.73 | 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 |
| 7205677 | CIF | C10 H8 Cl4 Cu N2 | P -1 | 3.787; 7.549; 11.992 74.198; 88.428; 85.816 | 329 | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions CrystEngComm, 2011, 13, 3189 |
| 7241570 | CIF | C14 H12 N2 O8 | P -1 | 3.6795; 9.855; 10.425 116.097; 97.436; 97.188 | 329.52 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7208454 | CIF | C4 H8 N O4 S | P -1 | 5.2563; 6.598; 10.3562 87.226; 76.973; 70.438 | 329.58 | 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 |
| 7232111 | CIF | C3.5 H2 Cl0.5 N0.5 O0.5 | P 1 21/m 1 | 4.5995; 7.7964; 9.3711 90; 101.201; 90 | 329.64 | Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H. Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides CrystEngComm, 2019, 21, 908 |
| 7212535 | CIF | C3 D7 N O2 | P 21 21 21 | 5.2815; 11.3765; 5.4879 90; 90; 90 | 329.74 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7214418 | CIF | C2 H7 N | P 1 21/c 1 | 8.2633; 7.3098; 5.5317 90; 99.088; 90 | 329.94 | Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines CrystEngComm, 2014, 16, 3867 |
| 7206639 | CIF | C6 H14 N2 | P 21 21 2 | 8.4; 5.159; 7.61 90; 90; 90 | 330 | Cai, Weizhao; Katrusiak, Andrzej Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure CrystEngComm, 2011, 13, 6742 |
| 7248444 | CIF | C10 F18 | P -1 | 5.7954; 7.1695; 9.3027 111.803; 89.4664; 111.572 | 330.1 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7203483 | CIF | C14 H8 N2 O8 | P -1 | 5.1088; 5.3102; 12.3475 90.588; 98.023; 95.211 | 330.23 | Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B. Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests CrystEngComm, 2006, 8, 608 |
| 7208453 | CIF | C4 H8 N O4 S | P -1 | 5.2589; 6.6056; 10.3687 87.155; 76.947; 70.385 | 330.39 | 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 |
| 7248442 | CIF | C10 F18 | P -1 | 5.7891; 7.1855; 9.3 111.813; 89.307; 111.525 | 330.64 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7208452 | CIF | C4 H8 N O4 S | P -1 | 5.2615; 6.6145; 10.3827 87.08; 76.924; 70.335 | 331.32 | 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 |
| 7210589 | CIF | C12 H14 Cu N4 O4 | P -1 | 5.1601; 7.6565; 9.1728 74.888; 84.185; 71.767 | 332.23 | Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora Can self-assembly of copper(ii) picolinamide building blocks be controlled? CrystEngComm, 2013, 15, 8074 |
| 7208451 | CIF | C4 H8 N O4 S | P -1 | 5.2644; 6.6233; 10.3965 87.021; 76.908; 70.282 | 332.26 | 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 |
| 7206216 | CIF | C4 H4 Cd Cl2 N2 | C 1 2/m 1 | 11.807; 7.545; 3.737 90; 93.532; 90 | 332.3 | Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J. Isostructural coordination polymers: epitaxis vs. solid solution CrystEngComm, 2011, 13, 4311 |
| 7226833 | CIF | C3 H7 N Ni O6 | P 1 21 1 | 6.306; 8.0599; 7.25 90; 115.6; 90 | 332.3 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7248446 | CIF | C10 F18 | P -1 | 5.94; 7.257; 9.19 111.733; 89.911; 113.546 | 332.33 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7208642 | CIF | C14 H12 N2 O8 | P -1 | 3.7117; 9.871; 10.44 116.081; 97.186; 97.626 | 333.2 | Chen, Xiaocui; Han, Shumin; Wang, Ruiyao Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate) CrystEngComm, 2012, 14, 6400 |
| 7208450 | CIF | C4 H8 N O4 S | P -1 | 5.2672; 6.6328; 10.4111 86.956; 76.887; 70.227 | 333.24 | 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 |
| 7215876 | CIF | C4 H7 Na O7 | P -1 | 6.4939; 7.0655; 7.978 91.64; 101.564; 110.577 | 333.78 | Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M. Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates CrystEngComm, 2014 |
| 7212534 | CIF | C3 D7 N O2 | P 21 21 21 | 5.3105; 11.4299; 5.5015 90; 90; 90 | 333.93 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7208641 | CIF | C14 H11 N2 Na O8 | P -1 | 3.642; 9.706; 10.459 109.23; 100.133; 99.271 | 333.96 | Chen, Xiaocui; Han, Shumin; Wang, Ruiyao Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate) CrystEngComm, 2012, 14, 6400 |
| 7208449 | CIF | C4 H8 N O4 S | P -1 | 5.2705; 6.6419; 10.4243 86.895; 76.869; 70.16 | 334.17 | 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 |
| 7238097 | CIF | C14 H24 O4 | P -1 | 5.958; 5.994; 9.867 86.177; 82.547; 73.2 | 334.3 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol CrystEngComm, 2005, 7, 398 |
| 7229438 | CIF | C4 H10 Cl N O2 | P 1 21/m 1 | 5.9059; 6.3964; 8.9893 90; 100.064; 90 | 334.36 | Rademeyer, Melanie; van der Westhuizen, Belinda Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro CrystEngComm, 2017 |
| 7208448 | CIF | C4 H8 N O4 S | P -1 | 5.2748; 6.6507; 10.4397 86.836; 76.833; 70.093 | 335.2 | 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 |
| 7246910 | CIF | C Na3 O8 P V | P 1 21/m 1 | 6.3646; 6.3135; 8.8975 90; 110.334; 90 | 335.25 | Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergey; Volkov, Anatoly; Dimitrova, Olga Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure CrystEngComm, 2023, 25, 4024-4032 |
| 7243403 | CIF | C16 H8 N4 O2 | P -1 | 6.312; 7.4057; 8.1661 108.309; 109.791; 92.81 | 335.79 | Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel Series of charge transfer complexes obtained as crystals in a confined environment CrystEngComm, 2021 |
| 7227237 | CIF | C6 H2 N6 O2 | P 1 21/c 1 | 6.46087; 5.62884; 9.37402 90; 99.3001; 90 | 336.426 | Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910 |
| 7244180 | CIF | C7 H3 F3 N2 | P 1 21 1 | 3.736; 8.4997; 10.654 90; 96.061; 90 | 336.43 | Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence CrystEngComm, 2022, 24, 987-1001 |
| 7238221 | CIF | C7 H7 Br | P 1 21 1 | 4.592; 7.737; 9.507 90; 94.213; 90 | 336.9 | Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives CrystEngComm, 2010, 12, 3112 |
| 7219985 | CIF | C14 H8 D6 N4 O6 | P -1 | 3.7233; 7.4294; 12.3158 98.262; 90.019; 91.709 | 336.99 | Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C. Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal CrystEngComm, 2015, 17, 5273 |
| 7205235 | CIF | C H3 N5 | P 21 21 21 | 5.09; 3.6663; 18.0741 90; 90; 90 | 337.289 | Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior CrystEngComm, 2011, 13, 99 |
| 7243314 | CIF | C12 H8 Br2 F4 N2 | P -1 | 4.8003; 6.6036; 10.9521 83.796; 84.121; 79.072 | 337.69 | Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106 |
| 7210708 | CIF | H2 In O6 P2 Rb | P 63 m c | 5.477; 5.477; 13.0083 90; 90; 120 | 337.94 | Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites CrystEngComm, 2013, 15, 2519 |
| 7231011 | CIF | C6 H18 Cl2 Mg N2 O6 | P -1 | 4.7711; 5.3186; 13.5193 84.365; 82.08; 87.969 | 338.06 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
| 7241572 | CIF | C14 H12 N2 O8 | P -1 | 3.7614; 9.8932; 10.4498 116.121; 96.721; 98.409 | 338.11 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7240207 | CIF | Al H Na O5 P | P 41 21 2 | 8.4509; 8.4509; 4.7354 90; 90; 90 | 338.191 | Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses CrystEngComm, 2020 |
| 7243343 | CIF | B2 Cu Mn2 Ni3 O10 | P b a m | 9.1735; 12.2939; 3.0018 90; 90; 90 | 338.537 | Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635 |
| 7201027 | CIF | C3 H4 Br2 Hg N | P -1 | 4.052; 9.002; 9.734 98.723; 100.464; 99.231 | 338.6 | Mahmoudi, Ghodrat; Morsali, Ali Mercury(II) metal‒organic coordination polymers with pyrazine derivatives CrystEngComm, 2009, 11, 1868 |
| 7248443 | CIF | C10 F18 | P -1 | 5.8708; 7.2213; 9.3736 111.871; 90.014; 111.475 | 338.87 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7243342 | CIF | B4 Cu Mn4 Ni7 O20 | P b a m | 9.1828; 12.2766; 3.0091 90; 90; 90 | 339.227 | Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635 |
| 7204680 | CIF | C6 H6 I N | P 1 21 1 | 8.422; 4.965; 8.645 90; 109.79; 90 | 340.1 | Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R. Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines CrystEngComm, 2003, 5, 248 |
| 7209248 | CIF | C7 H8 N2 O | P 1 21 1 | 4.634; 5.292; 13.943 90; 95.57; 90 | 340.31 | Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives CrystEngComm, 2013, 15, 2084 |
| 7248453 | CIF | C10 F18 | P -1 | 6.0143; 7.3233; 9.274 111.955; 90.006; 113.796 | 341.11 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7230218 | CIF | C10 H8 Cl2 Cu I2 N2 | P -1 | 4.0102; 8.4892; 10.1403 90.863; 92.738; 97.811 | 341.54 | Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes CrystEngComm, 2018, 20, 1954 |
| 7212533 | CIF | C3 D7 N O2 | P 21 21 21 | 5.3626; 11.5291; 5.5263 90; 90; 90 | 341.67 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7243341 | CIF | B4 Cu Mn4 Ni7 O20 | P b a m | 9.19375; 12.33041; 3.016669 90; 90; 90 | 341.978 | Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635 |
| 7206295 | CIF | C3 H4 O2 | P 1 21/c 1 | 5.1352; 9.802; 6.85 90; 97.28; 90 | 342 | Oswald, Iain D. H.; Urquhart, Andrew J. Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure CrystEngComm, 2011, 13, 4503 |
| 7243259 | CIF | C4 H10 N2 O5 | P -1 | 4.7744; 7.3961; 9.8715 90.222; 90.124; 101.127 | 342.03 | Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids CrystEngComm, 2021, 23, 5456-5462 |
| 7248283 | CIF | C7 H8 O3 | P -1 | 7.1414; 7.6229; 7.6784 62.162; 68.379; 76.408 | 342.61 | Thirumalaisamy, Anitha; Karuppannan, Srinivasan Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments CrystEngComm, 2024, 26, 1902-1911 |
| 7231017 | CIF | C6 H18 Cl2 Mg N2 O6 | P -1 | 4.7825; 5.3422; 13.6722 84.343; 80.426; 88.026 | 342.71 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
| 7232576 | CIF | C12 H5 F4 I2 N O | P -1 | 4.2934; 6.2651; 13.2828 101.118; 96.9; 98.117 | 343.05 | Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene CrystEngComm, 2019, 21, 3251 |
| 7216585 | CIF | C8 H20 N6 Ni S2 | P -1 | 5.6675; 7.6228; 8.0307 91.356; 94.19; 96.79 | 343.41 | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J. Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes CrystEngComm, 2002, 4, 539 |
| 7220826 | CIF | C6 H8 Fe N10 O2 S2 | P -1 | 6.046; 6.82; 9.086 83.37; 81.332; 68.356 | 343.5 | Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism CrystEngComm, 2015, 17, 5396 |
| 7200416 | CIF | C3 H4 Cu N7 | P -1 | 5.8645; 7.5587; 8.1625 77.744; 76.991; 83.633 | 343.75 | Massoud, Alshima'a A.; Abu-Youssef, Morsy A. M.; Vejpravová, Jana Poltierová; Langer, Vratislav; Öhrström, Lars Methyl groups control coordination number, stoichiometry, network and magnetism in a Cu(ii)-azide-pyrazine (6,3) 2D net CrystEngComm, 2009, 11, 223-225 |
| 7234276 | CIF | C10 H8 Cl2 I2 N2 Pd | P -1 | 4.1332; 8.4034; 10.1872 90.8565; 96.407; 101.47 | 344.35 | Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R. A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids CrystEngComm, 2019, 21, 6396 |
| 7200947 | CIF | C12 H20 N2 O6 | P -1 | 5.749; 6.541; 9.903 80.4; 78.7; 71.71 | 344.5 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone CrystEngComm, 2009, 11, 1609 |
| 7232421 | CIF | C10 H10 Br2 Cu N6 O2 | P -1 | 3.797; 6.8449; 13.71 104.357; 90.019; 92.757 | 344.77 | Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism CrystEngComm, 2019, 21, 1910 |
| 7203050 | CIF | C14 H14 N4 O6 | P -1 | 3.6811; 7.5912; 12.455 85.638; 87.856; 84.221 | 345.11 | Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C. Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism CrystEngComm, 2007, 9, 743 |
| 7201025 | CIF | C2 H2 Hg I2 N | P -1 | 7.0171; 7.0163; 8.3634 109.362; 96.04; 112.625 | 345.53 | Mahmoudi, Ghodrat; Morsali, Ali Mercury(II) metal‒organic coordination polymers with pyrazine derivatives CrystEngComm, 2009, 11, 1868 |
| 7231014 | CIF | C6 H18 Cl2 Mn N2 O6 | P -1 | 4.8078; 5.3548; 13.662 83.825; 82.288; 87.503 | 346.37 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
| 7206638 | CIF | C6 H14 N2 | P 21 21 2 | 8.521; 5.2696; 7.724 90; 90; 90 | 346.83 | Cai, Weizhao; Katrusiak, Andrzej Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure CrystEngComm, 2011, 13, 6742 |
| 7215877 | CIF | C4 H5 Cs O6 | P -1 | 5.0645; 7.2545; 9.957 72.369; 85.46; 85.837 | 347.09 | Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M. Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates CrystEngComm, 2014 |
| 7208077 | CIF | C2 H5 Cl | P 1 21/n 1 | 5.2815; 9.8152; 6.7653 90; 98.071; 90 | 347.23 | Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes CrystEngComm, 2012, 14, 4496 |
| 7202511 | CIF | C20 H12 N2 O2 | P -1 | 3.8017; 6.6115; 14.485 100.68; 94.4; 102.11 | 347.3 | Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U. Crystal structures of quinacridones CrystEngComm, 2007, 9, 131 |
| 7240630 | CIF | C6 H4 N2 O5 | P 1 21 1 | 5.478; 5.2268; 12.296 90; 99.28; 90 | 347.46 | Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies CrystEngComm, 2020 |
| 7232747 | CIF | C4 H9 N O3 | P 1 21 1 | 4.62; 12.52; 6.037 90; 92.54; 90 | 348.9 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7227262 | CIF | C7 H7 Br0.5 Cl0.5 O | P 1 21 1 | 5.9892; 4.9395; 12.0858 90; 102.59; 90 | 348.94 | Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653 |
| 7215286 | CIF | C7 H6 B F O2 | P -1 | 4.0277; 6.3237; 14.0649 97.11; 91.015; 100.632 | 349.07 | Sene, Saad; Berthomieu, Dorothée; Donnadieu, Bruno; Richeter, Sébastien; Vezzani, Joris; Granier, Dominique; Bégu, Sylvie; Mutin, Hubert; Gervais, Christel; Laurencin, Danielle A combined experimental-computational study of benzoxaborole crystal structures CrystEngComm, 2014, 16, 4999 |
| 7225700 | CIF | C2.667 H6 N0.667 O0.667 S1.333 | P 1 | 6.5991; 6.9097; 8.2602 109.839; 95.545; 94.714 | 349.97 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 7201981 | CIF | C3 D7 N O3 | P 21 21 21 | 6.54874; 9.53864; 5.60779 90; 90; 90 | 350.3 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7212532 | CIF | C3 D7 N O2 | P 21 21 21 | 5.4221; 11.6457; 5.5564 90; 90; 90 | 350.85 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7214999 | CIF | C4 H12 Cl2 N10 O8 | P -1 | 5.3075; 7.5977; 9.161 74.424; 84.547; 83.648 | 352.84 | Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials CrystEngComm, 2012, 14, 4625 |
| 7226832 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.1208; 7.1208; 8.0513 90; 90; 120 | 353.55 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7208076 | CIF | C2 H5 Cl | P 1 21/n 1 | 5.3006; 9.8562; 6.8405 90; 98.173; 90 | 353.74 | Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes CrystEngComm, 2012, 14, 4496 |
| 7200676 | CIF | C2 F4 I2 | P 1 21/n 1 | 6.563; 6.293; 8.935 90; 106.47; 90 | 353.9 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes, CrystEngComm, 2009, 11, 1073 |
| 7240508 | CIF | C5 H5 Cl I N | P 1 21/m 1 | 4.3369; 8.4079; 9.736 90; 94.12; 90 | 354.1 | Fotović, Luka; Stilinovic, Vladimir Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides CrystEngComm, 2020 |
| 7240656 | CIF | C6 H8 K2 N14 O2 | P 1 21 1 | 3.717; 12.459; 7.693 90; 95.512; 90 | 354.6 | Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai New nitrogen-rich heterocycle compound to build 3D energetic metal complexes CrystEngComm, 2020 |
| 7241988 | CIF | C3 H6 Br Cu N6 | P -1 | 3.849; 9.074; 10.642 81.17; 79.73; 77.77 | 354.8 | Hou, Qin; Yang, Qingfeng; Miao, Chengxia; Duan, Junling; Zhang, Yuanhong; Ai, Shiyun Efficient removal of Pb2+ and Cd2+ using a Cu(i)‒Br coordination polymer constructed with an amino-rich ligand CrystEngComm, 2021, 23, 1489-1496 |
| 7227216 | CIF | C12 H16 Cl2 N2 O2 | P 1 | 4.7532; 8.1538; 10.0237 113.997; 91.275; 90.003 | 354.801 | Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T. Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene CrystEngComm, 2017, 19, 346 |
| 7246064 | CIF | C6 H3 N3 O2 S | P 1 c 1 | 3.812; 8.905; 10.498 90; 95.02; 90 | 355 | Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole CrystEngComm, 2023, 25, 859-865 |
| 7230873 | CIF | C2 H12 Ag Br6 In N2 | P -3 | 7.6324; 7.6324; 7.0554 90; 90; 120 | 355.94 | Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M. Chemically controlled crystal growth of (CH3NH3)2AgInBr6 CrystEngComm, 2018, 20, 5929 |
| 7201980 | CIF | C3 D7 N O3 | P 21 21 21 | 6.68687; 9.58023; 5.56241 90; 90; 90 | 356.34 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7227260 | CIF | C7 H7 Br O | P 1 21 1 | 6.0614; 4.9572; 12.1601 90; 102.523; 90 | 356.69 | Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653 |
| 7208269 | CIF | C7 H5 N O5 | P -1 | 5.1246; 8.7762; 9.2674 62.252; 75.292; 82.654 | 356.76 | Montis, Riccardo; Hursthouse, Michael B. Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids CrystEngComm, 2012, 14, 5242 |
| 7230874 | CIF | C2 H12 Ag Br6 In N2 | P -3 | 7.6399; 7.6399; 7.0651 90; 90; 120 | 357.13 | Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M. Chemically controlled crystal growth of (CH3NH3)2AgInBr6 CrystEngComm, 2018, 20, 5929 |
| 7227261 | CIF | C7.5 H8.5 Br0.5 O | P 1 21 1 | 6.044; 4.9739; 12.231 90; 103.69; 90 | 357.2 | Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653 |
| 7226831 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.161; 7.161; 8.0474 90; 90; 120 | 357.38 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7243310 | CIF | C12 H8 F4 I2 N2 | P -1 | 5.7357; 6.2412; 10.6257 86.11; 74.656; 77.418 | 357.986 | Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106 |
| 7208891 | CIF | C6 H2 K2 O4 | P 1 21/c 1 | 3.9251; 11.2358; 8.3337 90; 102.757; 90 | 358.457 | Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization CrystEngComm, 2013, 15, 135 |
| 7244907 | CIF | C3 H5 F4 N2 Nb O | P 1 2/c 1 | 6.7682; 3.9248; 13.5199 90; 92.765; 90 | 358.72 | Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride CrystEngComm, 2022 |
| 7219325 | CIF | C12 H12 Cu2 N2 O10 | P -1 | 6.2937; 6.8393; 9.545 99.689; 90.764; 116.946 | 359.1 | Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties CrystEngComm, 2015, 17, 1871 |
| 7246690 | CIF | C6 H5 F2 N3 O2 | P 1 c 1 | 7.6215; 3.675; 13.2829 90; 104.936; 90 | 359.47 | Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V. How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines? CrystEngComm, 2023, 25, 3284-3298 |
| 7211956 | CIF | C4 N4 Ni Zn | P 42/m c m | 5.2629; 5.2629; 12.987 90; 90; 90 | 359.7 | Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks CrystEngComm, 2010, 12, 1382 |
| 7241968 | CIF | C8 H16 N6 O6 S2 | P -1 | 6.73165; 7.0727; 7.95197 86.2104; 72.5954; 85.649 | 359.851 | Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption CrystEngComm, 2021, 23, 1149-1157 |
| 7200646 | CIF | C10 H14 Mg2 O14 | P -1 | 5.9502; 7.4323; 8.9898 104.787; 106.197; 97.59 | 360.18 | Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties CrystEngComm, 2009, 11, 1462 |
| 7242981 | CIF | C7 H5 F2 N3 | P -1 | 7.1619; 7.5769; 7.6716 107.27; 100.818; 107.844 | 360.19 | Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure CrystEngComm, 2021, 23, 4767-4781 |
| 7214584 | CIF | C12 H8 Cl2 Mn N4 Se2 | P -1 | 3.7203; 9.278; 10.769 80.055; 81.254; 83.353 | 360.34 | Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole CrystEngComm, 2013, 15, 7434 |
| 7236168 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6604; 7.4079; 10.4566 90; 92.007; 90 | 360.78 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 7212531 | CIF | C3 D7 N O2 | P 21 21 21 | 5.485; 11.7729; 5.5875 90; 90; 90 | 360.81 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7214527 | CIF | C8 H4 Mn O4 | P 1 2/c 1 | 4.664; 13.625; 6.339 90; 115.82; 90 | 362.6 | Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering CrystEngComm, 2013, 15, 7756 |
| 7232872 | CIF | C2 H3 F3 O | P -1 | 4.9159; 8.8894; 9.226 111.71; 103.03; 90.97 | 362.68 | Barnett, S. A.; Allan, D. R. The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol CrystEngComm, 2019, 21, 4501 |
| 7201979 | CIF | C3 D7 N O3 | P 21 21 21 | 6.76267; 9.60731; 5.58248 90; 90; 90 | 362.7 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7208260 | CIF | C8 H8 O3 | P -1 | 3.8685; 7.238; 13.2142 100.756; 93.271; 90.788 | 362.8 | Montis, Riccardo; Hursthouse, Michael B. Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids CrystEngComm, 2012, 14, 5242 |
| 7206696 | CIF | C8 H20 Br2 Co O6 | P -1 | 5.8213; 6.9778; 10.275 99.636; 101.641; 112.746 | 362.81 | Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D CrystEngComm, 2011, 13, 6801 |
| 7230875 | CIF | C2 H12 Ag Br6 In N2 | P -3 m 1 | 7.702; 7.702; 7.072 90; 90; 120 | 363.31 | Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M. Chemically controlled crystal growth of (CH3NH3)2AgInBr6 CrystEngComm, 2018, 20, 5929 |
| 7208264 | CIF | C7 H5 Br O3 | P -1 | 6.9625; 7.1714; 8.016 82.112; 73.835; 71.272 | 363.56 | Montis, Riccardo; Hursthouse, Michael B. Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids CrystEngComm, 2012, 14, 5242 |
| 7244908 | CIF | C3 H5 F4 N2 Nb O | P m m a | 13.529; 6.8257; 3.9372 90; 90; 90 | 363.58 | Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride CrystEngComm, 2022 |
| 7232750 | CIF | C4 H9 N O3 | P 1 21 1 | 4.679; 12.659; 6.143 90; 91.42; 90 | 363.7 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7226836 | CIF | C3 H7 Fe N O6 | P 1 21 1 | 6.668; 8.298; 7.393 90; 116.64; 90 | 365.6 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7216410 | CIF | Ag3 Ga3 Se8 Si | I -4 2 d | 5.9041; 5.9041; 10.499 90; 90; 90 | 365.98 | Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Feng, Kai; Yao, Jiyong; Huang, Fuqiang; Wu, Yicheng Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure CrystEngComm, 2014, 16, 6836 |
| 7201978 | CIF | C3 D7 N O3 | P 21 21 21 | 6.81067; 9.62266; 5.59344 90; 90; 90 | 366.58 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7214583 | CIF | C6 H4 Cd0.5 Cl N2 Se | P -1 | 3.7767; 9.284; 10.824 78.814; 82.416; 82.514 | 366.9 | Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole CrystEngComm, 2013, 15, 7434 |
| 7234758 | CIF | C12 H28 B6 F24 N4 Na2 | P m -3 m | 7.1593; 7.1593; 7.1593 90; 90; 90 | 366.95 | Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun (H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature CrystEngComm, 2019 |
| 7201189 | CIF | C6 H12 Co N8 O8 | P -1 | 6.7301; 7.091; 8.6218 109.184; 90.647; 107.858 | 367.002 | 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 |
| 7214755 | CIF | C8 H4 Cl Cu N2 O | P -1 | 3.8062; 9.0241; 11.0195 76.628; 89.855; 85.583 | 367.09 | Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ CrystEngComm, 2012, 14, 8620 |
| 7230872 | CIF | C2 H12 Ag Br6 In N2 | P -3 m 1 | 7.7414; 7.7414; 7.0841 90; 90; 120 | 367.67 | Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M. Chemically controlled crystal growth of (CH3NH3)2AgInBr6 CrystEngComm, 2018, 20, 5929 |
| 7219775 | CIF | C10 H14 Cu2 O14 | P -1 | 6.512; 6.901; 9.328 95.448; 108.706; 108.09 | 368.51 | Clegg, William; Holcroft, James M.; Martin, Nicola C. Copper pyromellitates: a complex story CrystEngComm, 2015, 17, 2857 |
| 7226835 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.26097; 7.26097; 8.0811 90; 90; 120 | 368.969 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7202793 | CIF | C14 H18 Cl2 N2 O2 | P -1 | 5.3605; 8.1395; 8.8621 84.19; 73.687; 88.389 | 369.2 | Dobrzycki, Lukasz; Woźniak, Krzysztof Structural consequences of benzidine dihydrochloride substitution in the solid state CrystEngComm, 2007, 9, 1029 |
| 7240510 | CIF | C5 H5 Br I N | P 1 21/m 1 | 4.3789; 8.5332; 9.9405 90; 95.16; 90 | 369.93 | Fotović, Luka; Stilinovic, Vladimir Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides CrystEngComm, 2020 |
| 7226834 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.2864; 7.2864; 8.05248 90; 90; 120 | 370.243 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7201026 | CIF | C4 H4 Br2 Hg N2 | C 1 2/m 1 | 12.321; 7.735; 3.9036 90; 95.497; 90 | 370.3 | Mahmoudi, Ghodrat; Morsali, Ali Mercury(II) metal‒organic coordination polymers with pyrazine derivatives CrystEngComm, 2009, 11, 1868 |
| 7202259 | CIF | C16 H16 O6 | P -1 | 7.0661; 7.4816; 8.0748 67.837; 72.069; 74.951 | 371.12 | Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B. Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring CrystEngComm, 2008, 10, 1550 |
| 7201977 | CIF | C3 D7 N O3 | P 21 21 21 | 6.87; 9.63731; 5.60664 90; 90; 90 | 371.21 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7212530 | CIF | C3 D7 N O2 | P 21 21 21 | 5.5556; 11.911; 5.6233 90; 90; 90 | 372.11 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7238853 | CIF | C14 H14 Cu N4 O8 | P -1 | 7.1674; 7.5711; 8.4825 109.937; 94.919; 116.156 | 372.9 | Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F. Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation CrystEngComm, 2013, 15, 9729 |
| 7201190 | CIF | C6 H12 Fe N8 O8 | P -1 | 6.7652; 7.1822; 8.6218 109.404; 90.408; 108.002 | 372.961 | 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 |
| 7240657 | CIF | C4 H4 K N7 O | P 1 21 1 | 3.9924; 12.192; 7.7023 90; 95.44; 90 | 373.22 | Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai New nitrogen-rich heterocycle compound to build 3D energetic metal complexes CrystEngComm, 2020 |
| 7209700 | CIF | C12 H8 Cd N8 S2 | P -1 | 5.5829; 7.2843; 9.482 93.241; 102.883; 94.796 | 373.46 | Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands CrystEngComm, 2013, 15, 2490 |
| 7215995 | CIF | C H6 B F4 N3 | R 3 :H | 7.3558; 7.3558; 7.989 90; 90; 120 | 374.35 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7203380 | CIF | C3 H8 Cs Cu O6 | P -1 | 7.1166; 7.1316; 7.5211 87.334; 79.428; 86.698 | 374.36 | Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion CrystEngComm, 2006, 8, 507 |
| 7234358 | CIF | C16 H14 N2 O8 | P -1 | 3.677; 10.505; 10.652 66.88; 85.72; 81.68 | 374.4 | Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene Cocrystal design by network-based link prediction CrystEngComm, 2019 |
| 7218470 | CIF | C8 H7 F O3 | P -1 | 5.0748; 5.2814; 15.032 91.142; 92.37; 111.42 | 374.47 | Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J. Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings CrystEngComm, 2014, 16, 10816 |
| 7208520 | CIF | C14 H23 N3 O4 | P -1 | 5.7935; 7.509; 8.7271 92.984; 91.952; 98.57 | 374.57 | Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John Exploring the structural landscape of 2-aminopyrazines via co-crystallizations CrystEngComm, 2012, 14, 5845 |
| 7210916 | CIF | C5 H12 N2 O3 | P 1 2/c 1 | 6.7949; 4.5234; 12.2711 90; 95.701; 90 | 375.3 | Taouss, Christina; Thomas, Lena; Jones, Peter G. Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1) CrystEngComm, 2013, 15, 6829 |
| 7216597 | CIF | C3 H10 Cu0.5 Ni0.5 O8 | P -1 | 5.242; 7.48; 10.278 107.15; 98.77; 96.34 | 375.4 | Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid) CrystEngComm, 2002, 4, 631 |
| 7223842 | CIF | C10 H18 O2 Pd S4 | P -1 | 6.0243; 8.0461; 8.9366 111.05; 99.851; 103.836 | 376.42 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7230523 | CIF | C9 H7 F O2 | P -1 | 3.789; 6.337; 15.846 84.53; 85.15; 87.11 | 377 | Chakraborty, Shaunak; Desiraju, Gautam R. Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe CrystEngComm, 2018, 20, 2793 |
| 7230529 | CIF | C9 H6.49 F1.51 O2 | P -1 | 3.756; 6.293; 16.06 86.11; 85.37; 87.17 | 377.1 | Chakraborty, Shaunak; Desiraju, Gautam R. Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe CrystEngComm, 2018, 20, 2793 |
| 7218068 | CIF | C3 H7 N O6 Zn | P 63 2 2 | 7.309; 7.309; 8.1701 90; 90; 120 | 377.98 | Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K. Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework CrystEngComm, 2015, 17, 370 |
| 7229685 | CIF | C8 H7 N2 O3 | P -1 | 3.671; 7.594; 13.772 95.723; 93.218; 97.153 | 378.1 | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions CrystEngComm, 2018, 20, 25 |
| 7218271 | CIF | C H2 Ag N5 | P 1 21/c 1 | 3.4771; 10.671; 10.22 90; 94.143; 90 | 378.21 | Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives CrystEngComm, 2014, 16, 10485 |
| 7230524 | CIF | C9 H7 F O2 | P -1 | 3.807; 6.296; 15.98 84.74; 84.44; 86.65 | 379.1 | Chakraborty, Shaunak; Desiraju, Gautam R. Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe CrystEngComm, 2018, 20, 2793 |
| 7240209 | CIF | Al1.17 O6.33 P1.83 | P 63/m | 7.8692; 7.8692; 7.0721 90; 90; 120 | 379.26 | Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses CrystEngComm, 2020 |
| 7243379 | CIF | C5 H6 N2 Ni O6 | P -1 | 6.8169; 7.3756; 8.5055 105.538; 90.512; 111.867 | 379.54 | Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes CrystEngComm, 2021, 23, 6253-6266 |
| 7216596 | CIF | C3 H10 Co0.5 Cu0.5 O8 | P -1 | 5.266; 7.495; 10.332 107.14; 98.99; 96.17 | 379.77 | Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid) CrystEngComm, 2002, 4, 631 |
| 7223841 | CIF | C10 H18 O2 Pd S4 | P -1 | 5.7038; 6.7822; 10.5967 72.42; 78.467; 79.852 | 379.94 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7216599 | CIF | C3 H10 Cu0.5 O8 Zn0.5 | P -1 | 5.274; 7.5042; 10.314 106.919; 99.15; 95.81 | 380.83 | Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid) CrystEngComm, 2002, 4, 631 |
| 7232749 | CIF | C4 H9 N O3 | P 1 21 1 | 4.735; 12.823; 6.275 90; 91.14; 90 | 380.9 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7216598 | CIF | C3 H10 Cu O8 | P -1 | 5.241; 7.584; 10.219 106.53; 99.52; 93.85 | 381.22 | Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid) CrystEngComm, 2002, 4, 631 |
| 7201429 | CIF | C10 H10 Cl4 N2 O2 U | P -1 | 5.567; 8.5723; 8.8394 71.139; 73.078; 86.534 | 381.64 | Deifel, Nicholas P.; Cahill, Christopher L. The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials CrystEngComm, 2009, 11, 2739 |
| 7202366 | CIF | C12 H12 Ag N7 O3 | P -1 | 4.4484; 7.2739; 12.024 84.31; 87.7; 81.05 | 382.31 | Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks CrystEngComm, 2008, 10, 1866 |
| 7231058 | CIF | C8 K2 N12 O8 | P -1 | 4.7645; 6.9326; 12.4985 100.528; 93.057; 108.417 | 382.35 | Sun, Qi; Lin, Qiuhan; Lu, Ming Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties CrystEngComm, 2018, 20, 4321 |
| 7240406 | CIF | C8 H12 Li2 N6 O12 | P -1 | 5.158; 8.074; 10.088 68.653; 77.889; 85.133 | 382.57 | Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic CrystEngComm, 2020 |
| 7206740 | CIF | C13 H11 N O | P 1 21 1 | 9.0721; 3.4383; 12.285 90; 92.72; 90 | 382.77 | Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone CrystEngComm, 2011, 13, 6845 |
| 7215994 | CIF | C H6 B F4 N3 | R 3 :H | 7.3751; 7.3751; 8.127 90; 90; 120 | 382.82 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7206265 | CIF | C20 H14 N4 | P -1 | 5.6711; 8.1633; 8.5872 93.01; 103.997; 93.971 | 383.83 | Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies CrystEngComm, 2011, 13, 4814 |
| 7230530 | CIF | C9 H6.5 F1.51 O2 | P -1 | 3.783; 6.316; 16.16 86.25; 85.69; 87.28 | 383.9 | Chakraborty, Shaunak; Desiraju, Gautam R. Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe CrystEngComm, 2018, 20, 2793 |
| 7232513 | CIF | F2 O3 Se Zn2 | P n m a | 7.2758; 10.042; 5.2562 90; 90; 90 | 384.04 | You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides CrystEngComm, 2019, 21, 2485 |
| 7212529 | CIF | C3 D7 N O2 | P 21 21 21 | 5.6369; 12.0464; 5.6628 90; 90; 90 | 384.53 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7247108 | CIF | Al3 O19.5 P6 | P 63/m | 7.9101; 7.9101; 7.1057 90; 90; 120 | 385.04 | Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures CrystEngComm, 2023, 25, 4864-4872 |
| 7216301 | CIF | C19 H10 N4 | P -1 | 7.183; 7.3; 8.194 95.24; 94.27; 114.63 | 385.9 | Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/ CrystEngComm, 2003, 5, 388 |
| 7216595 | CIF | C3 H10 Cu0.5 Mn0.5 O8 | P -1 | 5.316; 7.505; 10.365 107.07; 98.9; 95.48 | 386.18 | Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid) CrystEngComm, 2002, 4, 631 |
| 7211958 | CIF | C4 N4 Pt Zn | P 42/m c m | 5.3592; 5.3592; 13.455 90; 90; 90 | 386.44 | Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks CrystEngComm, 2010, 12, 1382 |
| 7211818 | CIF | C12 H17 Ag N2 O8 | P -1 | 5.8629; 8.488; 8.874 108.55; 103.457; 102.463 | 386.53 | Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures CrystEngComm, 2010, 12, 277 |
| 7212506 | CIF | C4 H4 N2 | P 1 21/n 1 | 3.7189; 10.748; 9.6823 90; 91.5; 90 | 386.88 | Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej Density, freezing and molecular aggregation in pyridazine, pyridine and benzene CrystEngComm, 2010, 12, 2561 |
| 7211957 | CIF | C4 N4 Pd Zn | P 42/m c m | 5.3718; 5.3718; 13.4271 90; 90; 90 | 387.46 | Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks CrystEngComm, 2010, 12, 1382 |
| 7240994 | CIF | C6 H12 Cu2 I2 N12 | P -1 | 4.0787; 9.0943; 10.9148 82.327; 80.162; 77.648 | 387.69 | Zhang, Yu; Yang, Qing Feng; Li, Xiaoping; Miao, Chengxia; Hou, Qin; Ai, Shiyun One Cu(I)-I coordination polymer fluorescent chemosensor with amino-rich sites for nitro aromatic compounds (NACs) detection in water CrystEngComm, 2020 |
| 7205666 | CIF | C6 H8 N O6 | P -1 | 4.9819; 5.3114; 14.748 89.543; 86.238; 84.973 | 387.91 | 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 |
| 7213827 | CIF | C7 H5 N O5 Sr | P -1 | 6.4411; 6.8211; 10.012 94.14; 93.01; 117.31 | 388.01 | Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid CrystEngComm, 2014, 16, 1091 |
| 7205664 | CIF | C6 H8 N O6 | P -1 | 4.9168; 5.4373; 14.7869 81.199; 83.738; 88.135 | 388.28 | 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 |
| 7206018 | CIF | C2 H3 Cu N4 | P 1 21/c 1 | 3.6325; 10.2841; 10.4812 90; 97.379; 90 | 388.3 | Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer CrystEngComm, 2011, 13, 3827 |
| 7218149 | CIF | C10 H3 F5 | P 1 21/n 1 | 8.5748; 3.6622; 12.423 90; 93.08; 90 | 389.55 | Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding CrystEngComm, 2014, 16, 9711 |
| 7209247 | CIF | C2 H6 N2 O | P 21 21 21 | 6.741; 6.743; 8.58 90; 90; 90 | 390 | Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives CrystEngComm, 2013, 15, 2084 |
| 7232743 | CIF | C4 H9 N O3 | P 21 21 21 | 4.768; 12.883; 6.353 90; 90; 90 | 390.2 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7201976 | CIF | C3 D7 N O3 | P 21 21 21 | 8.30986; 8.59508; 5.46585 90; 90; 90 | 390.39 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7247107 | CIF | Al O5 P | P -1 | 6.8925; 7.1249; 8.6411 89.34; 67.136; 87.675 | 390.68 | Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures CrystEngComm, 2023, 25, 4864-4872 |
| 7236167 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6147; 6.5781; 12.9004 90; 90.418; 90 | 391.59 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 7232744 | CIF | C4 H9 N O3 | P 21 21 21 | 4.771; 12.903; 6.361 90; 90; 90 | 391.6 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 1540392 | CIF | Ba0.1 O4 Si Sr1.9 | P m n b | 5.674; 7.086; 9.745 90; 90; 90 | 391.81 | Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties CrystEngComm, 2015, 17, 9123 |
| 7215993 | CIF | C H6 B F4 N3 | R 3 :H | 7.3952; 7.3952; 8.2763 90; 90; 120 | 391.98 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7232741 | CIF | C4 H9 N O3 | P 21 21 21 | 4.773; 12.91; 6.363 90; 90; 90 | 392.1 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7201975 | CIF | C3 D7 N O3 | P 21 21 21 | 8.32162; 8.62427; 5.47386 90; 90; 90 | 392.85 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7216582 | CIF | C2 H8 N6 Ni S2 | P 1 21/a 1 | 6.057; 6.941; 9.381 90; 94.5; 90 | 393.18 | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J. Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes CrystEngComm, 2002, 4, 539 |
| 7208902 | CIF | C16 H18 N4 O4 | P -1 | 5.2025; 7.0703; 11.4579 99.247; 102.957; 101.395 | 393.25 | Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John Interdependence of structure and physical properties in co-crystals of azopyridines CrystEngComm, 2013, 15, 463 |
| 7208271 | CIF | C7 H7 Cl O4 | P -1 | 3.7289; 8.243; 13.0565 80.768; 87.719; 83.755 | 393.67 | Montis, Riccardo; Hursthouse, Michael B. Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids CrystEngComm, 2012, 14, 5242 |
| 7240655 | CIF | C5 H7 N7 O2 | P 1 21/c 1 | 5.1663; 10.327; 7.6607 90; 105.39; 90 | 394.06 | Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai New nitrogen-rich heterocycle compound to build 3D energetic metal complexes CrystEngComm, 2020 |
| 7208528 | CIF | C6 H7 Br Cl N | P -1 | 4.498; 6.1858; 14.4538 90.9386; 94.9448; 100.039 | 394.33 | Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition CrystEngComm, 2012, 14, 5795 |
| 7243331 | CIF | C16 H8 Br2 F4 N2 | P -1 | 6.8925; 7.6625; 8.623 108.019; 97.023; 109.558 | 394.92 | Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T. One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes CrystEngComm, 2021, 23, 6098-6106 |
| 7203667 | CIF | C18 H20 N4 | P -1 | 5.7952; 8.3871; 8.7671 72.308; 76.989; 86.488 | 395.54 | Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T. The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4 CrystEngComm, 2006, 8, 909-915 |
| 7215992 | CIF | C H6 B F4 N3 | R 3 :H | 7.3983; 7.3983; 8.346 90; 90; 120 | 395.62 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 1540393 | CIF | Ba0.15 N O4 Si Sr2.85 | P m n b | 5.6796; 7.1386; 9.7639 90; 90; 90 | 395.87 | Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties CrystEngComm, 2015, 17, 9123 |
| 7240725 | CIF | C4 H9 Na O7 | P -1 | 5.9224; 6.2512; 11.2141 103.935; 91.49; 99.823 | 396.07 | Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density CrystEngComm, 2020 |
| 7203722 | CIF | C6 H12 N2 O3 | P -1 | 6.9376; 7.445; 9.1267 97.732; 103.958; 115.766 | 396.24 | Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R. An exploration of the polymorphism of piracetam using high pressure CrystEngComm, 2005, 7, 179 |
| 7208789 | CIF | C8 H8 N4 | P 1 21 1 | 7.6843; 5.5794; 9.4459 90; 100.949; 90 | 397.61 | Spencer, John; Patel, Hiren; Deadman, John J.; Palmer, Rex A.; Male, Louise; Coles, Simon J.; Uzoh, Ogaga G.; Price, Sarah L. The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole CrystEngComm, 2012, 14, 6441 |
| 7215991 | CIF | C H6 B F4 N3 | R 3 :H | 7.4011; 7.4011; 8.3856 90; 90; 120 | 397.79 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7243196 | CIF | C8 H5 Cl3 O | P 1 c 1 | 3.6879; 11.923; 9.13 90; 97.392; 90 | 398.12 | Kusumoto, Sotaro; Sugimoto, Akira; Kosumi, Daisuke; Kim, Yang; Sekine, Yoshihiro; Nakamura, Masaaki; Hayami, Shinya A plastically bendable and polar organic crystal CrystEngComm, 2021, 23, 5560-5563 |
| 7231569 | CIF | C12 H26 Cl2 N2 O4 Pd | P -1 | 6.5577; 7.8482; 7.8785 83.909; 81.02; 87.767 | 398.14 | Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study CrystEngComm, 2018, 20, 6733 |
| 7228220 | CIF | C18 H20 N2 Ni O4 | P -1 | 6.468; 7.7544; 8.6026 97.267; 109.253; 96.531 | 398.46 | Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L. Difference Hirshfeld fingerprint plots: a tool for studying polymorphs CrystEngComm, 2017, 19, 2207 |
| 7212528 | CIF | C3 D7 N O2 | P 21 21 21 | 5.7345; 12.1746; 5.7095 90; 90; 90 | 398.61 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7240208 | CIF | Al H Na O5 P | I 4/m m m | 6.1977; 6.1977; 10.3826 90; 90; 90 | 398.81 | Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses CrystEngComm, 2020 |
| 7246012 | CIF | C7 H7 Cu0.5 N2 O5 | P -1 | 5.0894; 7.1344; 11.405 86.127; 77.266; 81.424 | 399.15 | Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions CrystEngComm, 2023, 25, 1479-1485 |
| 7201974 | CIF | C3 D7 N O3 | P 21 21 21 | 8.35471; 8.70622; 5.49678 90; 90; 90 | 399.82 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
| 7216285 | CIF | C10 H5 F O3 | P -1 | 5.746; 8.552; 9.212 113.792; 102.163; 93.126 | 399.95 | Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S. Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions CrystEngComm, 2003, 5, 507 |
| 7232055 | CIF | C16 H14 N6 O6 | P -1 | 6.018; 7.393; 9.3115 77.213; 82.358; 86.071 | 400.09 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
| 7247984 | CIF | Cl0.5 Na4.5 O8 P2 Zn | P -1 | 5.1554; 8.9641; 9.1377 100.539; 104.874; 90.936 | 400.36 | Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Simonov, Sergey; Yapaskurt, Vasiliy; Dimitrova, Olga Crystal chemistry and predicted ionic conductivity of hydrothermally synthesized Na9Zn2(PO4)4Cl CrystEngComm, 2024, 26, 848-855 |
| 7232742 | CIF | C4 H9 N O3 | P 21 21 21 | 4.799; 12.972; 6.432 90; 90; 90 | 400.4 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7202393 | CIF | C18 H18 N4 O4 | P -1 | 6.54; 7.502; 8.185 90.704; 91.595; 93.648 | 400.57 | Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R. Hydrogen-bonding tectons for the construction of bimolecular framework materials CrystEngComm, 2008, 10, 1782 |
| 7233471 | CIF | C D3 N2 O | I 1 2/a 1 | 9.3926; 3.33285; 13.1269 90; 77.329; 90 | 400.92 | Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872 |
| 7203322 | CIF | C10 H10 Cl6 N2 Pd | P -1 | 6.9605; 7.3662; 8.6496 113.41; 91.97; 98.06 | 400.98 | Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts CrystEngComm, 2006, 8, 425 |
| 7230994 | CIF | C12 H24 N4 O7 | P 1 | 5.0193; 8.6051; 10.2069 69.005; 77.721; 89.513 | 401.06 | Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A. Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry CrystEngComm, 2018, 20, 4213 |
| 7216000 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.4965; 7.4965; 8.2508 90; 90; 120 | 401.55 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7240038 | CIF | C8 H18 Li2 Na2 O14 | P -1 | 7.3738; 7.4503; 8.1802 76.479; 66.792; 84.39 | 401.58 | Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li CrystEngComm, 2020, 22, 1653-1663 |
| 7244588 | CIF | C6 H4 Cl2 Cu N2 Se | P 1 21/m 1 | 3.677; 12.682; 8.707 90; 98.51; 90 | 401.6 | Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks. CrystEngComm, 2022 |
| 7230844 | CIF | C8 H3 I N2 | P -1 | 7.6381; 8.0021; 8.1572 109.201; 105.966; 109.054 | 402.13 | Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf Halogen bonding driven crystal engineering of iodophthalonitrile derivatives CrystEngComm, 2018, 20, 3858 |
| 7221873 | CIF | C5 Cl5 N | P 1 c 1 | 5.3122; 5.177; 14.8307 90; 99.493; 90 | 402.28 | George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction CrystEngComm, 2015, 17, 7414 |
| 7200644 | CIF | C10 H14 Mg2 O14 | P -1 | 6.9007; 7.4722; 8.2521 90.227; 108.67; 93.332 | 402.319 | Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties CrystEngComm, 2009, 11, 1462 |
| 7227840 | CIF | C6 H8 N2 O4 | P 1 21/n 1 | 5.4312; 6.1004; 12.3902 90; 101.006; 90 | 402.97 | Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V. π–hole interactions at work: crystal engineering with nitro-derivatives CrystEngComm, 2017, 19, 1933 |
| 7230631 | CIF | C6 Cl4 O2 | P 1 21/c 1 | 8.5371; 5.6623; 8.6712 90; 105.946; 90 | 403.03 | Shukla, Rahul; Chopra, Deepak Characterization of the short OC⋯OC π-hole tetrel bond in the solid state CrystEngComm, 2018, 20, 3308 |
| 7206852 | CIF | C6 H4 N O5 U | P -1 | 6.289; 7.949; 8.347 79.554; 87.819; 79.199 | 403.09 | Andrews, Michael B.; Cahill, Christopher L. In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials CrystEngComm, 2011, 13, 7068 |
| 7208532 | CIF | C7 H9 N O3 | P -1 | 7.619; 7.888; 8.147 65.33; 66.81; 72.58 | 403.6 | Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons CrystEngComm, 2012, 14, 5745 |
| 7233468 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4033; 3.35415; 13.132 90; 77.321; 90 | 404.08 | Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872 |
| 7223794 | CIF | C12 H8 Br4 Hg2 N2 | P -1 | 4.0824; 9.6723; 11.1027 71.406; 80.156; 78.525 | 404.48 | Slabbert, C.; Rademeyer, M. Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands CrystEngComm, 2015, 17, 9070 |
| 7240926 | CIF | C12 H20 Cl2 N4 S2 | P -1 | 5.6982; 6.3203; 11.4318 90.47; 93.651; 99.991 | 404.56 | Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study CrystEngComm, 2020 |
| 7206739 | CIF | C13 H11 N O | P 1 21 1 | 9.0625; 3.5605; 12.5539 90; 92.541; 90 | 404.68 | Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone CrystEngComm, 2011, 13, 6845 |
| 7221872 | CIF | C5 Cl5 N | P 1 c 1 | 5.3191; 5.1827; 14.894 90; 99.704; 90 | 404.7 | George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction CrystEngComm, 2015, 17, 7414 |
| 7212527 | CIF | C3 D7 N O2 | P 21 21 21 | 5.783; 12.2194; 5.7287 90; 90; 90 | 404.82 | Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon The effect of pressure on the crystal structure of l-alanine CrystEngComm, 2010, 12, 2573 |
| 7244589 | CIF | C6 H4 Cl2 Cu N2 S | P 1 21/m 1 | 3.713; 12.553; 8.767 90; 97.73; 90 | 404.9 | Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks. CrystEngComm, 2022 |
| 7202135 | CIF | C H2 I2 | F m m 2 | 7.0153; 12.599; 4.5877 90; 90; 90 | 405.49 | Podsiadło, Marcin; Katrusiak, Andrzej Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane CrystEngComm, 2008, 10, 1436 |
| 7232748 | CIF | C4 H9 N O3 | P 21 21 21 | 4.823; 13.025; 6.457 90; 90; 90 | 405.6 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7209773 | CIF | C7 H9 N O2 S | P 1 | 5.1562; 8.325; 9.8583 100.801; 102.284; 90.371 | 405.68 | Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A. Crystalline products of tolbutamide decomposition in water after microwave treatment CrystEngComm, 2013, 15, 3582 |
| 7215990 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4031; 7.4031; 8.5486 90; 90; 120 | 405.74 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7228221 | CIF | C18 H20 Cu N2 O4 | P -1 | 6.2433; 8.0884; 8.6219 71.541; 79.573; 85.986 | 406.13 | Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L. Difference Hirshfeld fingerprint plots: a tool for studying polymorphs CrystEngComm, 2017, 19, 2207 |
| 7245910 | CIF | C4 H12 Cl6 Cu3 N10 | P -1 | 3.7166; 7.2862; 15.168 84.565; 84.984; 85.194 | 406.15 | Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures CrystEngComm, 2022 |
| 7246011 | CIF | C14 H14 Cu N4 O10 | P -1 | 5.1171; 7.2429; 11.4209 85.712; 77.27; 80.208 | 406.56 | Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions CrystEngComm, 2023, 25, 1479-1485 |
| 7203177 | CIF | C6 H6 N O6 P | P 1 21 1 | 5.37; 6.213; 12.481 90; 102.31; 90 | 406.8 | Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz 4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study CrystEngComm, 2006, 8, 150 |
| 7205724 | CIF | C12 H10 Ho2 O16 | P -1 | 6.1931; 8.5776; 8.8684 111.03; 109.97; 91.82 | 406.8 | Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands CrystEngComm, 2011, 13, 3884 |
| 7233469 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4113; 3.37412; 13.1358 90; 77.317; 90 | 406.95 | Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872 |
| 7219071 | CIF | C7 H6 Cu N5 | P 1 21 1 | 8.394; 5.7287; 9.35 90; 115.074; 90 | 407.2 | Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong ((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties CrystEngComm, 2015, 17, 1305 |
| 7232746 | CIF | C4 H9 N O3 | P 21 21 21 | 4.823; 13.027; 6.481 90; 90; 90 | 407.2 | Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa CrystEngComm, 2019, 21, 4444 |
| 7209512 | CIF | C10 H6 Br6 Cu N2 | P -1 | 6.3071; 8.0751; 8.5714 104.521; 94.539; 102.964 | 407.57 | Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D. Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii) CrystEngComm, 2013, 15, 3111 |
| 7243497 | CIF | C6 H7 Co0.5 N3 O4 | P -1 | 7.385; 7.98; 8.186 65.269; 89.12; 70.156 | 407.6 | Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties CrystEngComm, 2021, 23, 7253-7261 |
| 7221871 | CIF | C5 Cl5 N | P 1 c 1 | 5.329; 5.1935; 14.949 90; 99.833; 90 | 407.65 | George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction CrystEngComm, 2015, 17, 7414 |
| 7210292 | CIF | C4 H6 Ag N3 O3 S | P -1 | 6.9033; 7.852; 8.6789 99.337; 97.714; 115.448 | 408.04 | Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole CrystEngComm, 2013, 15, 6413 |
| 7201973 | CIF | C3 D7 N O3 | P 21 21 21 | 8.39175; 8.80598; 5.52187 90; 90; 90 | 408.05 | Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L. A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations CrystEngComm, 2008, 10, 1154 |
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