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 |
| 7248636 | CIF | C7 H4 N2 O2 S | P -1 | 6.9301; 7.3617; 8.2491 91.5; 107.919; 115.929 | 353.72 | Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation? CrystEngComm, 2024 |
| 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 |
| 7207333 | CIF | C12 H12 Cd I2 N6 | P -1 | 4.1197; 8.0163; 12.4386 91.739; 94.104; 94.716 | 408.07 | Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties CrystEngComm, 2012, 14, 1575 |
| 7211536 | CIF | C4 H16 N8 O12 Zn2 | P -1 | 7.153; 7.752; 8.775 97.048; 112.728; 108.627 | 408.1 | Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands CrystEngComm, 2010, 12, 260 |
| 7215999 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5123; 7.5123; 8.3522 90; 90; 120 | 408.2 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7231003 | CIF | C6 H18 Ca I2 N2 O6 | P -1 | 4.9952; 5.9493; 13.8126 95.593; 90.98; 90.965 | 408.4 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
| 7211802 | CIF | C H Cl3 | P n m a | 7.4422; 9.4578; 5.8025 90; 90; 90 | 408.42 | Yufit, D. S.; Howard, J. A. K. Low-melting molecular complexes of chloroform CrystEngComm, 2010, 12, 737 |
| 7227899 | CIF | C6 H4 Cl2 Cu N2 | P -1 | 13.83118; 7.93848; 3.79073 96.1714; 94.9144; 96.8254 | 408.824 | 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 |
| 7228223 | CIF | C18 H20 Cu N2 O4 | P -1 | 6.2388; 8.1434; 8.6344 71.421; 79.6; 85.781 | 408.92 | 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 |
| 7208663 | CIF | C4 H10 O | P 21 21 21 | 5.0122; 5.0885; 16.044 90; 90; 90 | 409.2 | Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol CrystEngComm, 2012, 14, 6419 |
| 7205723 | CIF | C12 H10 Dy2 O16 | P -1 | 6.2071; 8.5862; 8.8891 110.938; 110.025; 91.761 | 409.34 | 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 |
| 7212526 | CIF | C3 D7 N O2 | P 21 21 21 | 5.8204; 12.2496; 5.7419 90; 90; 90 | 409.38 | 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 |
| 7233466 | CIF | C D3 N2 O | I 1 2/a 1 | 9.419; 3.39405; 13.1379 90; 77.31; 90 | 409.74 | 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 |
| 7216053 | CIF | B4 Ba Ga H3 O10 | P -1 | 7.108; 7.1372; 9.878 106.885; 91.569; 119.185 | 409.99 | Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers CrystEngComm, 2014, 16, 5689 |
| 7246477 | CIF | C10 H6 Cl4 Cu I2 N2 | P -1 | 6.6375; 8.1893; 8.426 69.401; 88.117; 73.592 | 410.14 | Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P. Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies CrystEngComm, 2023, 25, 2390-2403 |
| 7204821 | CIF | C22 H8 F8 | P -1 | 6.446; 7.142; 9.751 74.46; 71.53; 85.97 | 410.17 | Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1. CrystEngComm, 2004, 6, 25 |
| 7213765 | CIF | C22 H12 N4 | P -1 | 7.4928; 7.8003; 8.1026 84.297; 81.124; 61.343 | 410.4 | Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K. Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane CrystEngComm, 2014, 16, 415 |
| 7226124 | CIF | C7 H7 I N2 O | P 1 21 1 | 4.6211; 5.2775; 16.932 90; 96.344; 90 | 410.41 | Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G. The impact of modular substitution on crystal packing: the tale of two ureas CrystEngComm, 2016, 18, 7078 |
| 7200489 | CIF | C17 H12 Br F5 N2 | P 1 | 6.4341; 7.3046; 8.8257 85.98; 88.527; 83.187 | 410.79 | Serrano-Becerra, J. M.; Hernández-Ortega, S.; Morales-Morales, D.; Valdés-Martínez, J. Bottom-up design and construction of a non-centrosymmetric network through π‒π stacking interactions CrystEngComm, 2009, 11, 226-228 |
| 7205731 | CIF | C12 H10 O16 Tb2 | P -1 | 6.2191; 8.5786; 8.9113 110.89; 110.11; 91.64 | 410.9 | 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 |
| 7202959 | CIF | C10 H9 N O2 | P -1 | 6.7981; 7.1085; 9.5555 71.489; 84.54; 69.982 | 411.37 | Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers CrystEngComm, 2007, 9, 735 |
| 7221874 | CIF | C5 Cl5 N | P 1 c 1 | 5.3426; 5.2051; 15.021 90; 100.003; 90 | 411.4 | 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 |
| 7215989 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4121; 7.4121; 8.65 90; 90; 120 | 411.6 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7224795 | CIF | C10 H14 N2 O | P -1 | 10.027; 7.0054; 6.5581 116.173; 94.86; 90.02 | 411.6 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7212505 | CIF | C4 H4 N2 | P 1 21/n 1 | 3.8432; 10.964; 9.778 90; 91.13; 90 | 411.93 | Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej Density, freezing and molecular aggregation in pyridazine, pyridine and benzene CrystEngComm, 2010, 12, 2561 |
| 7208890 | CIF | C6 H2 Cs2 O4 | C m m m | 8.2553; 12.849; 3.888 90; 90; 90 | 412.41 | 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 |
| 7233467 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4251; 3.41438; 13.1382 90; 77.309; 90 | 412.47 | 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 |
| 7231008 | CIF | C6 H18 Ca I2 N2 O6 | P -1 | 5.0003; 5.9936; 13.845 95.502; 91.031; 91.228 | 412.84 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
| 7212187 | CIF | C3 H9 N O6 P2 Pb | P -1 | 6.8238; 6.9867; 8.9138 82.198; 81.8; 81.286 | 412.93 | Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius CrystEngComm, 2010, 12, 1774 |
| 7248294 | CIF | C22 H11 N5 | P -1 | 7.03; 7.8302; 7.8567 73.722; 88.51; 84.102 | 412.95 | Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives CrystEngComm, 2024, 26, 2155-2165 |
| 7242883 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.07; 3.268; 14.418 90; 104.63; 90 | 413.5 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7211043 | CIF | C3 H2 Cs N3 S3 | P -1 | 5.1031; 7.9838; 10.9408 96.431; 103.27; 104.265 | 413.7 | Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K. Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals CrystEngComm, 2013, 15, 9400 |
| 7206298 | CIF | C4 H6 O2 | P 1 21/c 1 | 3.7643; 13.501; 8.308 90; 101.22; 90 | 414.2 | Oswald, Iain D. H.; Urquhart, Andrew J. Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure CrystEngComm, 2011, 13, 4503 |
| 7224794 | CIF | C10 H14 N2 O | P -1 | 10.007; 7.0202; 6.5889 115.903; 94.821; 90.068 | 414.53 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7226634 | CIF | C16 H20 Cd N4 O4 | P -1 | 5.1689; 8.3362; 9.9402 102.695; 95.013; 93.047 | 415.09 | Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities CrystEngComm, 2016, 18, 8309 |
| 7242511 | CIF | C3 H6 O3 | P 21 21 21 | 5.759; 5.772; 12.492 90; 90; 90 | 415.2 | Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart Ambient l-lactic acid crystal polymorphism CrystEngComm, 2021, 23, 2644-2647 |
| 7215842 | CIF | C20 H20 N4 | P -1 | 6.1328; 7.1872; 10.0545 78.816; 74.898; 79.084 | 415.21 | Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R. The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers CrystEngComm, 2014, 16, 6459 |
| 7232745 | CIF | C4 H9 N O3 | P 21 21 21 | 4.842; 13.025; 6.589 90; 90; 90 | 415.5 | 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 |
| 7215841 | CIF | C20 H20 N4 | P -1 | 6.5627; 8.2007; 8.5966 83.164; 71.318; 71.589 | 415.77 | Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R. The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers CrystEngComm, 2014, 16, 6459 |
| 7233463 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4344; 3.44007; 13.1345 90; 77.317; 90 | 415.88 | 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 |
| 7232080 | CIF | C6 H6 N4 O4 | P 1 21 1 | 4.2098; 6.9632; 14.2021 90; 92.36; 90 | 415.96 | Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm, 2019, 21, 1091 |
| 7221875 | CIF | C5 Cl5 N | P 1 c 1 | 5.359; 5.224; 15.101 90; 100.228; 90 | 416 | 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 |
| 7202620 | CIF | C7 H6 Cl N O5 | P 1 21 1 | 5.1793; 9.476; 8.5004 90; 94.289; 90 | 416.02 | Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B. Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration? CrystEngComm, 2007, 9, 207 |
| 7203216 | CIF | C7 H6 Cl N O5 | P 1 21 1 | 5.1793; 9.476; 8.5004 90; 94.289; 90 | 416.02 | Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B. Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons CrystEngComm, 2006, 8, 123 |
| 7215998 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.531; 7.531; 8.4767 90; 90; 120 | 416.35 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7211058 | CIF | Ag3 I6 Mn O18 | P -1 | 6.6378; 6.8724; 10.0243 73.544; 72.194; 81.327 | 416.51 | Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates CrystEngComm, 2013, 15, 7776 |
| 7205722 | CIF | C12 H10 Eu2 O16 | P -1 | 6.2301; 8.6277; 8.961 110.7; 110.27; 91.49 | 416.6 | 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 |
| 7203486 | CIF | C8 H7 Cl N O3 | P -1 | 3.744; 6.032; 18.631 97.66; 92.28; 90.47 | 416.64 | Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure CrystEngComm, 2006, 8, 545 |
| 7208556 | CIF | C6 F4 I2 | P 1 21/c 1 | 6.2187; 11.6168; 5.7876 90; 93.61; 90 | 417.27 | Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide CrystEngComm, 2012, 14, 6110 |
| 7211978 | CIF | C2 H5 N5 | P 1 21/n 1 | 6.1601; 5.9993; 11.3396 90; 93.849; 90 | 418.12 | Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V. Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions CrystEngComm, 2010, 12, 909 |
| 7212525 | CIF | C3 D7 N O2 | P 21 21 21 | 5.9004; 12.298; 5.7626 90; 90; 90 | 418.15 | 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 |
| 7230661 | CIF | C8 H12 O4 | P 1 21/n 1 | 5.6186; 8.0802; 9.6186 90; 106.636; 90 | 418.4 | Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals CrystEngComm, 2018, 20, 3807 |
| 7226861 | CIF | C13 H14 Hg I2 N4 O2 | P 1 | 7.6855; 7.8344; 8.1579 91.15; 104.78; 116.81 | 418.7 | Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds CrystEngComm, 2016, 18, 9056 |
| 7215988 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4241; 7.4241; 8.7784 90; 90; 120 | 419.02 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7218411 | CIF | C8 H16 O2 | P -1 | 5.1064; 5.1749; 16.3054 88.25; 81.485; 79.662 | 419.2 | Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S. Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol CrystEngComm, 2014, 16, 10977 |
| 7238161 | CIF | C16 H20 Ni O10 | P -1 | 4.9002; 5.7233; 15.147 88.524; 83.761; 83.354 | 419.4 | Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties CrystEngComm, 2010, 12, 3183 |
| 7233458 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4444; 3.46902; 13.1315 90; 77.318; 90 | 419.73 | 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 |
| 7201972 | CIF | C3 D7 N O3 | P 21 21 21 | 8.44354; 8.96414; 5.55463 90; 90; 90 | 420.42 | 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 |
| 7212874 | CIF | C18 H22 N2 O4 | P -1 | 7.2159; 7.3354; 8.8449 90.21; 93.428; 115.808 | 420.49 | Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca Remarkable reversal of melting point alternation by co-crystallization CrystEngComm, 2010, 12, 3534 |
| 7206558 | CIF | C18 H4 F10 N2 O | P 1 | 4.7787; 6.5029; 13.9073 78.371; 83.747; 87.099 | 420.6 | Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections CrystEngComm, 2011, 13, 5833 |
| 7230660 | CIF | C8 H12 O4 | P 1 21/n 1 | 5.6272; 8.095; 9.638 90; 106.656; 90 | 420.6 | Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals CrystEngComm, 2018, 20, 3807 |
| 7242880 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.084; 3.3013; 14.495 90; 104.62; 90 | 420.6 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7215393 | CIF | C7 H5 Br N2 S | P -1 | 6.969; 7.073; 9.075 92.827; 106.248; 99.958 | 420.7 | Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures CrystEngComm, 2011, 13, 6192 |
| 7209546 | CIF | C17 H9 F4 I N4 O2 | P 1 | 6.2112; 8.1879; 8.9824 84.843; 70.837; 77.402 | 421.03 | Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John Competing hydrogen-bond and halogen-bond donors in crystal engineering CrystEngComm, 2013, 15, 3125 |
| 7208075 | CIF | C2 H5 Cl | P 63/m | 8.8116; 8.8116; 6.2705 90; 90; 120 | 421.64 | Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes CrystEngComm, 2012, 14, 4496 |
| 7224793 | CIF | C10 H14 N2 O | P -1 | 10.037; 7.0477; 6.6292 115.381; 94.711; 90.103 | 421.88 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7240921 | CIF | C2 H8 N6 Na O5 | P -1 | 6.45; 6.733; 10.676 84.312; 78.116; 68.519 | 422 | 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 |
| 7206738 | CIF | C13 H11 N O | P 1 21 1 | 9.047; 3.6626; 12.7481 90; 92.304; 90 | 422.07 | 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 |
| 7212000 | CIF | C6 H6 N4 O3 Pb | P -1 | 6.998; 7.923; 8.61 87.064; 70.43; 70.354 | 422.6 | Sadeghzadeh, Homa; Morsali, Ali Hedge balls nano-structure of a mixed-ligand lead(II) coordination polymer; thermal, structural and X-ray powder diffraction studies CrystEngComm, 2010, 12, 370 |
| 7242594 | CIF | C10 H9 N O2 | P -1 | 6.9349; 7.1467; 9.558 71.817; 84.968; 70.026 | 422.89 | Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin CrystEngComm, 2021, 23, 5801-5804 |
| 7246743 | CIF | C9 H10 O3 | P 1 21 1 | 8.4198; 5.8428; 8.6049 90; 91.92; 90 | 423.08 | Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii On the pairwise cocrystallization of racemic compounds CrystEngComm, 2023, 25, 3060-3065 |
| 7238160 | CIF | C16 H20 Co O10 | P -1 | 4.9236; 5.7501; 15.143 88.367; 83.723; 83.308 | 423.19 | Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties CrystEngComm, 2010, 12, 3183 |
| 7233460 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4526; 3.49778; 13.1229 90; 77.341; 90 | 423.34 | 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 |
| 7240193 | CIF | C4 H6 F O4 Sr2 | C 1 2 1 | 5.7544; 5.7537; 12.7881 90; 89.93; 90 | 423.4 | 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 |
| 7247113 | CIF | C16 H26 N2 O4 | P -1 | 5.6474; 7.3558; 10.9693 108.023; 94.575; 99.275 | 423.55 | Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility CrystEngComm, 2023, 25, 4889-4901 |
| 7242595 | CIF | C10 H9 N O2 | P -1 | 6.9361; 7.1569; 9.5654 71.825; 84.915; 69.902 | 423.58 | Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin CrystEngComm, 2021, 23, 5801-5804 |
| 7208662 | CIF | C4 H10 O | P 21 21 21 | 5.058; 5.2221; 16.054 90; 90; 90 | 424.04 | Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol CrystEngComm, 2012, 14, 6419 |
| 7230298 | CIF | F3 Sc | P 63/m m c | 7.8163; 7.8163; 8.02294 90; 90; 120 | 424.489 | 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 |
| 7240319 | CIF | C16 H18 N4 O7 | P 1 | 4.7631; 8.8253; 10.662 96.829; 95.279; 105.603 | 424.99 | Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals CrystEngComm, 2020 |
| 7226153 | CIF | C4 Cu K2 O8 | P 1 21/n 1 | 4.8886; 6.6448; 13.171 90; 96.305; 90 | 425.26 | Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D. Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration CrystEngComm, 2016, 18, 5062 |
| 7234277 | CIF | C4 H12 N2 Ni O6 | P 1 21/c 1 | 7.5636; 6.5661; 9.5826 90; 116.607; 90 | 425.506 | 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 |
| 7200442 | CIF | C9 H9 N O3 | P -1 | 5.7014; 8.4321; 9.1812 103.481; 90.271; 97.265 | 425.51 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature CrystEngComm, 2009, 11, 638 |
| 7248292 | CIF | C23 H12 N4 | P -1 | 7.1852; 7.8039; 7.9484 73.766; 83.955; 88.769 | 425.52 | Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives CrystEngComm, 2024, 26, 2155-2165 |
| 7233459 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4568; 3.51779; 13.1178 90; 77.346; 90 | 425.79 | 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 |
| 7216059 | CIF | C16 H16 Cl2 N4 O2 | P -1 | 4.9382; 9.1344; 10.2335 110.667; 91.904; 98.093 | 425.88 | Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions CrystEngComm, 2005, 7, 633 |
| 7201431 | CIF | C12 H12 Cl4 N2 O2 U | P -1 | 7; 8.1759; 8.4438 81.59; 73.86; 66.8 | 426.295 | 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 |
| 7215749 | CIF | C9 H9 N3 O2 | P -1 | 6.954; 7.6099; 8.6454 106.098; 101.881; 93.586 | 426.66 | Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles. CrystEngComm, 2014 |
| 7232733 | CIF | C4 H9 N O3 | P 21 21 21 | 4.879; 13.135; 6.658 90; 90; 90 | 426.7 | 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 |
| 7231805 | CIF | C6 H4 Br2 N2 Ni | P m c 21 | 3.70154; 7.20487; 16.0004 90; 90; 90 | 426.716 | Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm, 2018, 20, 7556 |
| 7223846 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.5622; 6.8643; 9.8385 84.811; 76.424; 83.388 | 427 | 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 |
| 7248004 | CIF | C3 F2 I | P 1 21/c 1 | 7.9881; 6.0289; 9.0193 90; 100.291; 90 | 427.38 | Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction CrystEngComm, 2024, 26, 764-772 |
| 7231793 | CIF | C6 H8 F N2 O5 | P -1 | 5.443; 5.845; 14.47 92.228; 94.392; 110.98 | 427.5 | Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus Co-crystallization and polymorphic behaviour of 5-fluorouracil CrystEngComm, 2019, 21, 2130 |
| 7206392 | CIF | C4 H8 Er N O8 | P 1 21 1 | 6.5447; 7.4781; 8.7578 90; 93.8955; 90 | 427.63 | Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components CrystEngComm, 2011, 13, 5285 |
| 7210786 | CIF | Br3 Hg2 I | C m c 21 | 4.6628; 7.013; 13.081 90; 90; 90 | 427.8 | Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region CrystEngComm, 2013, 15, 4196 |
| 7248509 | CIF | C4 H12 Br P | P 63 m c | 7.02188; 7.02188; 10.03217 90; 90; 120 | 428.383 | Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz Synthesis and structural trends in a series of simple tetraalkylphosphonium salts CrystEngComm, 2024 |
| 7201959 | CIF | C18 H15 Ag N4 O4 | P -1 | 6.345; 8.1285; 8.659 75.091; 83.106; 88.947 | 428.4 | Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures CrystEngComm, 2008, 10, 1037 |
| 7241103 | CIF | C8 H10 N2 O4 | P -1 | 3.726; 10.5594; 10.9879 84.17; 87.921; 85.492 | 428.57 | Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations CrystEngComm, 2020 |
| 7246099 | CIF | Eu K5 Mo4 O16 | C 1 2/m 1 | 10.37099; 5.98542; 7.72496 90; 116.584; 90 | 428.831 | Posokhova, Svetlana M.; Morozov, Vladimir A.; Deyneko, Dina V.; Redkin, Boris S.; Spassky, Dmitry A.; Nagirnyi, Vitali; Belik, Alexei A.; Hadermann, Joke; Pavlova, Erzhena T.; Lazoryak, Bogdan I. K5Eu(MoO4)4 red phosphor for solid state lighting applications, prepared by different techniques CrystEngComm, 2023, 25, 835-847 |
| 7212524 | CIF | C3 D7 N O2 | P 21 21 21 | 6.0186; 12.3298; 5.7828 90; 90; 90 | 429.13 | 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 |
| 7247156 | CIF | Eu0.7 K5 Mo4 O16 Yb0.3 | C 1 2/m 1 | 10.40289; 6.00012; 7.72969 90; 117.197; 90 | 429.134 | Posokhova, Svetlana M.; Morozov, Vladimir A.; Zonov, Egor M.; Deyneko, Dina V.; Spassky, Dmitry A.; Fedyunin, Fedor D.; Belik, Alexei A.; Pavlova, Erzhena T.; Vasin, Andrey A.; Lazoryak, Bogdan I. K5Yb1−xEux(MoO4)4 phosphors: aperiodic structures and luminescence properties CrystEngComm, 2023, 25, 4822-4833 |
| 7223939 | CIF | C3 H7 N O2 | P 21 21 21 | 5.779; 6.031; 12.318 90; 90; 90 | 429.3 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7212887 | CIF | C14 H14 Ni O16 | P -1 | 5.1607; 5.8504; 14.517 100.254; 95.11; 90.761 | 429.4 | Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra CrystEngComm, 2010, 12, 4217 |
| 7223940 | CIF | C3 H7 N O2 | P 21 21 21 | 5.7772; 6.035; 12.316 90; 90; 90 | 429.4 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7223845 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.882; 7.3531; 10.0455 70.305; 70.788; 67.164 | 429.42 | 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 |
| 7215997 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5534; 7.5534; 8.6935 90; 90; 120 | 429.55 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7233464 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4644; 3.5503; 13.1017 90; 77.388; 90 | 429.61 | 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 |
| 7244569 | CIF | B3 Cd4 O10 Tb | C 1 m 1 | 7.9549; 15.7709; 3.4813 90; 100.227; 90 | 429.81 | Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022 |
| 7205627 | CIF | C24 H14 O4 | P -1 | 7.5043; 7.8779; 8.3841 83.864; 79.848; 61.879 | 430.14 | Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi 1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state CrystEngComm, 2011, 13, 3170 |
| 7207145 | CIF | C16 H16 N2 O10 Zn | P 1 | 7.0505; 7.7448; 8.4534 107.543; 95.451; 98.716 | 430.17 | Kong, Guo-Qiang; Wu, Chuan-De Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties CrystEngComm, 2012, 14, 847 |
| 7247288 | CIF | C12 H14 Cl5 I N2 | P -1 | 7.4887; 7.6756; 8.0494 93.199; 110.363; 95.058 | 430.22 | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A. Halogen bonding in chloroiodates(iii) CrystEngComm, 2023, 25, 5233-5237 |
| 7208676 | CIF | C5 H8 Br Cu F2 N O2 | P 1 21/m 1 | 7.7096; 6.7687; 8.5459 90; 105.241; 90 | 430.27 | Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D. Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii) CrystEngComm, 2012, 14, 6761 |
| 7201971 | CIF | C3 D7 N O3 | P 21 21 21 | 8.4877; 9.09431; 5.57539 90; 90; 90 | 430.36 | 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 |
| 7216049 | CIF | C3 H7 N O2 | P 21 21 21 | 5.7837; 6.0328; 12.3406 90; 90; 90 | 430.59 | Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa Single crystal structure analysis via magnetically oriented microcrystal arrays CrystEngComm, 2014, 16, 6630 |
| 7209127 | CIF | C12 H16 N6 Ni O2 S2 | P -1 | 6.9271; 8.0392; 9.2125 107.194; 112.256; 99.445 | 430.91 | Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian Exploration and synthesis of condensed coordination networks with modified magnetic properties CrystEngComm, 2013, 15, 945 |
| 7248449 | CIF | C10 H18 | P 1 21/n 1 | 5.267; 10.4832; 7.8148 90; 90.8405; 90 | 431.45 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7206750 | CIF | C20 H19 Cl N2 O | P 1 | 5.441; 8.892; 9.554 74.542; 82.346; 76.224 | 431.5 | Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts CrystEngComm, 2011, 13, 6365 |
| 7205284 | CIF | C20 H6 F10 N2 | P -1 | 5.846; 7.929; 10.331 109.78; 102.35; 96.13 | 431.7 | Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes CrystEngComm, 2011, 13, 702 |
| 7208447 | CIF | C5 H9 N O6 S | P -1 | 5.65476; 8.8702; 9.7344 110.377; 102.167; 99.621 | 431.74 | 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 |
| 7244570 | CIF | B3 Cd4 Eu O10 | C 1 m 1 | 7.9673; 15.7619; 3.4932 90; 100.186; 90 | 431.76 | Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022 |
| 7227893 | CIF | C6 H4 Br2 N2 Ni | P 1 1 2/m | 9.48269; 12.34678; 3.68977 90; 90; 90.4227 | 431.989 | 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 |
| 7214434 | CIF | C16 H26 O2 S2 | P -1 | 5.927; 6.623; 11.219 80.046; 89.205; 84.973 | 432.1 | Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism CrystEngComm, 2014, 16, 3839 |
| 7216058 | CIF | C18 H18 Cl2 N2 O2 | P -1 | 4.9715; 9.162; 10.233 109.757; 92.325; 98.082 | 432.4 | Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions CrystEngComm, 2005, 7, 633 |
| 7206855 | CIF | C5 H10 N2 O6 U | P -1 | 6.2323; 6.779; 10.594 104.12; 93.875; 91.976 | 432.47 | Andrews, Michael B.; Cahill, Christopher L. In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials CrystEngComm, 2011, 13, 7068 |
| 7213590 | CIF | C3 H3 Br O2 | C m c 21 | 6.309; 10.7274; 6.3907 90; 90; 90 | 432.52 | Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory CrystEngComm, 2014, 16, 135 |
| 7209649 | CIF | C18 H12 F4 N2 O6 | P -1 | 5.2649; 8.6837; 10.192 105.83; 96.18; 101.4 | 432.95 | Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds CrystEngComm, 2013, 15, 2835 |
| 7205315 | CIF | C7 H6 Cl N O5 | P -1 | 7.2871; 7.9395; 8.5516 117.58; 95.8; 93.48 | 433 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid CrystEngComm, 2011, 13, 1037 |
| 7217856 | CIF | C8 H17 N O2 | P 1 21 1 | 5.378; 9.788; 8.399 90; 101.676; 90 | 433 | Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø. Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids CrystEngComm, 2014, 16, 9631 |
| 7242510 | CIF | C3 H6 O3 | P 21 21 21 | 5.4954; 8.4298; 9.3517 90; 90; 90 | 433.22 | Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart Ambient l-lactic acid crystal polymorphism CrystEngComm, 2021, 23, 2644-2647 |
| 7218509 | CIF | C12 H18 Mn N2 O8 S2 | P -1 | 5.143; 9.262; 9.402 93.552; 99.993; 99.237 | 433.48 | Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S. 1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese CrystEngComm, 2014, 16, 11064 |
| 7225909 | CIF | C22 H12 S4 | P -1 | 3.9274; 7.167; 15.716 83.267; 89.379; 80.859 | 433.7 | Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors. CrystEngComm, 2016, 18, 6149-6152 |
| 7202198 | CIF | C3 H8 Cl3 N2 O2 Re0.5 | P -1 | 7.9626; 8.0241; 8.1598 108.788; 111.666; 99.606 | 433.83 | Martínez-Lillo, J.; Armentano, D.; De Munno, G.; Marino, N.; Lloret, F.; Julve, M.; Faus, J. A self-assembled tetrameric water cluster stabilized by the hexachlororhenate(IV) anion and diprotonated 2,2′-biimidazole: X-ray structure and magnetic properties CrystEngComm, 2008, 10, 1284 |
| 7244568 | CIF | B3 Cd4 O10 Sm | C 1 m 1 | 7.9798; 15.7654; 3.5051 90; 100.208; 90 | 433.98 | Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022 |
| 7215996 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5595; 7.5595; 8.7694 90; 90; 120 | 434 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7208074 | CIF | C2 H5 Cl | P 63/m | 8.8941; 8.8941; 6.3353 90; 90; 120 | 434.01 | Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes CrystEngComm, 2012, 14, 4496 |
| 7200459 | CIF | C6 H10 N4 O | P -1 | 7.188; 8.2151; 8.5656 71.608; 65.906; 75.772 | 434.1 | Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R. Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks CrystEngComm, 2009, 11, 298 |
| 7242876 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.191; 3.3508; 14.562 90; 104.44; 90 | 434.3 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7247282 | CIF | C8 H4 N2 Se2 | P 1 21/c 1 | 9.117; 4.0552; 11.8113 90; 95.91; 90 | 434.36 | Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc Chalcogen bonding interactions in a series of aromatic selenocyanates CrystEngComm, 2023, 25, 5316-5323 |
| 7208446 | CIF | C5 H9 N O6 S | P -1 | 5.65706; 8.9064; 9.7446 110.208; 102.193; 99.702 | 434.47 | 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 |
| 7224792 | CIF | C10 H14 N2 O | P -1 | 10.11; 7.1; 6.6984 114.72; 94.61; 90.202 | 435 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7206506 | CIF | C14 H12 Cu N6 O2 S2 | P -1 | 6.5705; 7.353; 9.6541 96.773; 92.797; 109.334 | 435.12 | Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study CrystEngComm, 2011, 13, 5863 |
| 7208905 | CIF | C18 H22 N4 O4 | P -1 | 5.8269; 8.6817; 9.0827 76.314; 87.963; 77.486 | 435.76 | Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John Interdependence of structure and physical properties in co-crystals of azopyridines CrystEngComm, 2013, 15, 463 |
| 7208445 | CIF | C5 H9 N O6 S | P -1 | 5.65949; 8.9271; 9.7495 110.093; 102.22; 99.769 | 436.06 | 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 |
| 7209979 | CIF | C3 H5 I N2 | R -3 m :H | 7.8956; 7.8956; 8.0774 90; 90; 120 | 436.09 | Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech Synthesis, crystal structure and phase transitions of a series of imidazolium iodides CrystEngComm, 2013, 15, 5633 |
| 7233465 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4768; 3.61125; 13.0677 90; 77.463; 90 | 436.55 | 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 |
| 7209604 | CIF | B3 Cd5 F O9 | C 1 m 1 | 8.057; 15.966; 3.447 90; 100.06; 90 | 436.6 | Zou, Guohong; Zhang, Liyuan; Ye, Ning Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F CrystEngComm, 2013, 15, 2422 |
| 7226506 | CIF | C H2 Hg N5 | P 1 21/c 1 | 5.0952; 13.021; 6.8264 90; 105.26; 90 | 436.93 | 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 |
| 7208444 | CIF | C5 H9 N O6 S | P -1 | 5.66062; 8.9394; 9.7525 109.967; 102.224; 99.833 | 437.16 | 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 |
| 7216063 | CIF | C4 H3 N O3 | P 1 21/c 1 | 7.7407; 5.5405; 10.4926 90; 103.643; 90 | 437.303 | 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 |
| 7202450 | CIF | C10 H28 Cl2 N2 O2 S2 | P -1 | 5.863; 8.2478; 9.5959 89.659; 76.931; 75.82 | 437.64 | Baisch, Ulrich; Rubini, Katia; Braga, Dario Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides CrystEngComm, 2008, 10, 1939 |
| 7203059 | CIF | C9 H8 O2 S | P 1 21 1 | 6.0507; 9.6244; 7.9662 90; 109.273; 90 | 437.91 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7201430 | CIF | C12 H14 Cl4 N2 O2 U | P -1 | 7.0295; 8.2438; 8.7676 82.81; 70.63; 66.07 | 438.094 | 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 |
| 7202363 | CIF | C3 D9 N O4 | P 21 21 21 | 9.8641; 10.0991; 4.3986 90; 90; 90 | 438.18 | Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E. High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation CrystEngComm, 2008, 10, 1758 |
| 7229744 | CIF | C4 H11 B Br F4 N | P 1 21/m 1 | 6.0331; 7.8583; 9.5127 90; 103.67; 90 | 438.22 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
| 7239681 | CIF | C8 H22 N12 O6 | P -1 | 6.0311; 6.9489; 11.1061 77.437; 89.786; 75.146 | 438.46 | Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents CrystEngComm, 2020, 22, 593-601 |
| 7208443 | CIF | C5 H9 N O6 S | P -1 | 5.66107; 8.9574; 9.7578 109.831; 102.228; 99.913 | 438.59 | 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 |
| 7244587 | CIF | C6 H4 Br2 Cu N2 S | P 1 21/m 1 | 3.897; 12.568; 9.03 90; 97.33; 90 | 438.7 | 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 |
| 7202837 | CIF | C6 H5 Br2 Hg N2 | P -1 | 4.0783; 9.1943; 11.753 87.235; 88.002; 85.696 | 438.73 | Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands CrystEngComm, 2007, 9, 704 |
| 7208190 | CIF | C8 H10 N2 O4 | P 1 21/n 1 | 8.5311; 5.1286; 10.2947 90; 103.012; 90 | 438.85 | 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 |
| 7207603 | CIF | C16 H20 N4 O7 | P -1 | 4.8122; 8.8128; 11.0772 75.874; 80.095; 76.225 | 439.22 | Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients CrystEngComm, 2012, 14, 2435 |
| 7217209 | CIF | C3 H7 N O | P n m a | 9.6481; 6.3391; 7.1825 90; 90; 90 | 439.28 | Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe Orthogonal halogen and hydrogen bonds involving a peptide bond model CrystEngComm, 2014, 16, 8102 |
| 7232739 | CIF | C4 H9 N O3 | P 21 21 21 | 4.9154; 13.23; 6.7665 90; 90; 90 | 440 | 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 |
| 7227233 | CIF | C6 H6 N6 O4 | P 1 21/c 1 | 3.68405; 13.8967; 8.7734 90; 101.475; 90 | 440.19 | 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 |
| 7242882 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.24; 3.371; 14.596 90; 104.46; 90 | 440.2 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7208442 | CIF | C5 H9 N O6 S | P -1 | 5.66264; 8.9788; 9.7642 109.682; 102.236; 100.002 | 440.33 | 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 |
| 7243723 | CIF | C24 H8 Cl4 O2 | P -1 | 3.8349; 8.8365; 13.2606 88.717; 89.773; 78.865 | 440.79 | Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F. Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors CrystEngComm, 2021, 23, 8255-8259 |
| 7208996 | CIF | C14 H18 N4 O4 S2 | P -1 | 6.2397; 7.8663; 9.624 81.374; 80.696; 72.025 | 440.88 | Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs CrystEngComm, 2013, 15, 152 |
| 7208903 | CIF | C18 H22 N4 O4 | P -1 | 5.468; 7.0381; 11.9358 98.867; 93.592; 102.392 | 441.09 | Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John Interdependence of structure and physical properties in co-crystals of azopyridines CrystEngComm, 2013, 15, 463 |
| 7209977 | CIF | C3 H3 I3 N2 | P m m n :2 | 7.2366; 8.4314; 7.2292 90; 90; 90 | 441.09 | Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech Synthesis, crystal structure and phase transitions of a series of imidazolium iodides CrystEngComm, 2013, 15, 5633 |
| 7230287 | CIF | C9 H13 N O2 | P 1 21 1 | 6.9761; 7.6181; 8.3283 90; 94.646; 90 | 441.15 | Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M. π-Choreography in aromatic ammonium formate solids CrystEngComm, 2018, 20, 1899 |
| 7246253 | CIF | C18 Br2 F12 | P -1 | 5.4453; 7.8772; 11.0644 71.14; 86.893; 79.296 | 441.29 | Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors CrystEngComm, 2023, 25, 1501-1506 |
| 7248460 | CIF | C10 H18 | P 1 21/n 1 | 5.3191; 10.564; 7.858 90; 90.7843; 90 | 441.51 | Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland Structural chemistry of decalins and perfluorodecalins CrystEngComm, 2024 |
| 7208441 | CIF | C5 H9 N O6 S | P -1 | 5.66521; 8.9987; 9.7696 109.516; 102.251; 100.096 | 442.06 | 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 |
| 7202362 | CIF | C3 H9 N O4 | P 21 21 21 | 9.8778; 10.155; 4.4175 90; 90; 90 | 443.1 | Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E. High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation CrystEngComm, 2008, 10, 1758 |
| 7208440 | CIF | C5 H9 N O6 S | P -1 | 5.66513; 9.0127; 9.7723 109.318; 102.263; 100.163 | 443.35 | 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 |
| 7217223 | CIF | C18 H24 N2 O4 | P 1 | 6.9477; 7.1623; 10.509 78.17; 73.89; 62.48 | 443.7 | Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B. Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid CrystEngComm, 2014, 16, 9992 |
| 7208383 | CIF | C2 H10 Ca O9 P2 | P -1 | 6.943; 7.581; 9.662 92.734; 106.176; 112.524 | 444.3 | Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D. Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems CrystEngComm, 2012, 14, 5385 |
| 7207332 | CIF | C14 H12 Cd N8 S2 | P -1 | 5.8963; 7.1928; 10.9481 73.61; 86.576; 87.068 | 444.37 | Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties CrystEngComm, 2012, 14, 1575 |
| 7223847 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.2746; 6.3302; 11.4138 79.69; 88.152; 86.065 | 444.89 | 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 |
| 7241928 | CIF | C5 H12 | P b c n | 3.7996; 8.2477; 14.205 90; 90; 90 | 445.16 | Liu, X.; Pulham, C. R. Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane CrystEngComm, 2020, 22, 8251-8255 |
| 7206178 | CIF | C12 H34 Cl2 N2 O2 | P -1 | 7.4621; 8.1058; 8.4022 94.013; 116.002; 99.107 | 445.42 | Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts CrystEngComm, 2011, 13, 4427 |
| 7217200 | CIF | C10 H12 N2 | P 1 21/c 1 | 5.2963; 7.4802; 11.401 90; 99.512; 90 | 445.47 | Sathish Kumar, B.; Panda, Pradeepta K. 1D water chain stabilized by meso-expanded calix[4]pyrrole CrystEngComm, 2014, 16, 8669 |
| 7203063 | CIF | C9 H7 F O2 S | P -1 | 7.389; 8.134; 8.474 109.23; 98.6; 106.01 | 445.7 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7233457 | CIF | C D3 N2 O | I 1 2/a 1 | 9.485; 3.70468; 12.9889 90; 77.632; 90 | 445.82 | 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 |
| 7238322 | CIF | C16 H16 Cd N6 O8 | P -1 | 7.4213; 7.6629; 8.9501 80.468; 79.331; 63.62 | 446.08 | Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L. Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice CrystEngComm, 2010, 12, 3310 |
| 7231808 | CIF | C6 H4 Br2 Fe N2 | P m c 21 | 3.772; 7.251; 16.31 90; 90; 90 | 446.1 | Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm, 2018, 20, 7556 |
| 7200441 | CIF | C9 H9 N O3 | P -1 | 5.8529; 8.6855; 9.0724 103.447; 90.696; 95.572 | 446.15 | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature CrystEngComm, 2009, 11, 638 |
| 7241376 | CIF | C18 H10 N2 O2 S4 | P -1 | 4.8107; 9.0732; 11.0382 108.24; 98.143; 96.693 | 446.3 | Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko Structures and transistor properties of extended and unsymmetrical birhodanines CrystEngComm, 2020 |
| 7216216 | CIF | B3 Ca4 O10 Tm | C 1 m 1 | 8.0679; 16.014; 3.5224 90; 101.112; 90 | 446.56 | Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals CrystEngComm, 2014, 16, 7141 |
| 7201970 | CIF | C3 D7 N O3 | P 21 21 21 | 8.57203; 9.30117; 5.60429 90; 90; 90 | 446.83 | 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 |
| 7242875 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.28; 3.3957; 14.64 90; 104.34; 90 | 447 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7213922 | CIF | C5 H11 N2 O5 P | P -1 | 7.2785; 7.9141; 8.9022 77.651; 71.756; 67.405 | 447.06 | Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates CrystEngComm, 2014, 16, 2205 |
| 7232736 | CIF | C4 H9 N O3 | P 21 21 21 | 4.933; 13.248; 6.841 90; 90; 90 | 447.1 | 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 |
| 7232740 | CIF | C4 H9 N O3 | P 21 21 21 | 4.9383; 13.25; 6.841 90; 90; 90 | 447.6 | 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 |
| 7205403 | CIF | C2 H3 Cl3 | P n m a | 10.914; 7.414; 5.535 90; 90; 90 | 447.9 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Crystalline gas of 1,1,1-trichloroethane CrystEngComm, 2011, 13, 396 |
| 7243483 | CIF | B3 Ca4 Ho O10 | C 1 m 1 | 8.09; 16.018; 3.5317 90; 101.284; 90 | 448.8 | Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal CrystEngComm, 2021, 23, 6574-6581 |
| 7214380 | CIF | B3 Ca4.01 O10 Tb0.99 | C 1 m 1 | 8.0715; 16; 3.5454 90; 101.255; 90 | 449.06 | Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal CrystEngComm, 2014, 16, 4008 |
| 7200341 | CIF | C18 H18 Br2 N2 O2 | P -1 | 4.9461; 8.6603; 10.7293 90.812; 100.267; 96.325 | 449.21 | Samai, Suman; Biradha, Kumar Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions CrystEngComm, 2009, 11, 482-492 |
| 7203071 | CIF | C20 H24 N2 O2 | P -1 | 7.802; 8.471; 8.709 114.3; 96.46; 114.38 | 449.3 | Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides CrystEngComm, 2007, 9, 868 |
| 7206748 | CIF | C20 H17 N3 O3 | P 1 | 5.707; 8.886; 9.503 71.733; 79.378; 84.199 | 449.3 | Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts CrystEngComm, 2011, 13, 6365 |
| 7209118 | CIF | C6 H16 Br N | P 1 21 1 | 7.8586; 8.0818; 7.8918 90; 116.29; 90 | 449.38 | Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław Room-temperature ferroelectricity in diisopropylammonium bromide CrystEngComm, 2013, 15, 940 |
| 7243309 | CIF | C18 H12 Br2 F4 N2 | P -1 | 6.8796; 7.4209; 9.2086 82.848; 82.965; 75.554 | 449.67 | 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 |
| 7225837 | CIF | B6 Ca8 La0.18 O20 Y1.81 | C 1 m 1 | 8.0806; 16.0141; 3.5431 90; 101.206; 90 | 449.75 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
| 7224993 | CIF | C16 H10 N6 S4 | P -1 | 5.3638; 7.2562; 12.7329 77.773; 80.204; 69.11 | 450.06 | Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt CrystEngComm, 2016, 18, 3925 |
| 7243356 | CIF | Hg K2 Se4 Sn | I 4/m c m | 8.0531; 8.0531; 6.9501 90; 90; 90 | 450.73 | Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13 CrystEngComm, 2021, 23, 6079-6085 |
| 7207461 | CIF | C22 H18 N2 O4 | P -1 | 3.8288; 10.6688; 12.0072 67.07; 89.415; 87.226 | 451.17 | Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D. An experimental screen for quinoline/fumaric acid salts and co-crystals CrystEngComm, 2012, 14, 1967 |
| 7239987 | CIF | C6 H4 Br2 Co N2 | P 1 2/m 1 | 12.4692; 3.76053; 9.62324 90; 89.87; 90 | 451.24 | Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 4-Cyanopyridine complexes [MX2(4-CNpy)x]n (with X = Cl, Br and x = 1, 2): crystal structures, thermal properties and a comparison with [MX2(3-CNpy)x]n complexes CrystEngComm, 2020 |
| 7229742 | CIF | C4 H11 Br Cl N O4 | P 1 21/m 1 | 6.1256; 7.9158; 9.5663 90; 103.29; 90 | 451.44 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
| 7207811 | CIF | C14 H18 O12 S2 Zn | P -1 | 5.4378; 7.0974; 12.031 90.52; 95.2; 102.28 | 451.64 | Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand CrystEngComm, 2012, 14, 3501 |
| 7228082 | CIF | B4 H6 K2 O10 | P -1 | 7.1742; 7.8472; 8.9702 68.551; 88.368; 74.877 | 452.49 | Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates CrystEngComm, 2017 |
| 7207518 | CIF | C10 H24 Mn2 O14 | P -1 | 7.6205; 7.9261; 8.0664 85.402; 81.432; 70.018 | 452.55 | Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K. Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands CrystEngComm, 2012, 14, 2711 |
| 7206737 | CIF | C13 H11 N O | P 1 21 1 | 8.953; 3.865; 13.081 90; 90.47; 90 | 452.63 | 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 |
| 7240291 | CIF | C10 H8 N4 | P 1 21/n 1 | 4.7844; 6.1705; 15.43 90; 96.42; 90 | 452.67 | Gao, Lei; Hao, Yunhui; Zhang, Xiunan; Huang, Xin; Wang, Ting; Hao, Hongxun Polymorph Induced Diversity of Photomechanical Motions of Molecular Crystals CrystEngComm, 2020 |
| 7206749 | CIF | C20 H17 Cl N2 O4 | P 1 | 5.7108; 9.011; 9.451 70.55; 81.022; 85.818 | 452.9 | Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts CrystEngComm, 2011, 13, 6365 |
| 7224738 | CIF | C22 H12 Mn O8 | P -1 | 4.804; 9.8809; 10.0661 75.987; 81.807; 79.391 | 453.26 | Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands CrystEngComm, 2016, 18, 3086 |
| 7242881 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.323; 3.4191; 14.678 90; 104.31; 90 | 453.4 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7213591 | CIF | C3 H3 Br O2 | C m c 21 | 6.503; 10.85; 6.429 90; 90; 90 | 453.6 | Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory CrystEngComm, 2014, 16, 135 |
| 7214004 | CIF | H3 In2 O9 P3 | P 63/m | 8.2519; 8.2519; 7.6934 90; 90; 120 | 453.69 | Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang Solvothermal syntheses and structures of four indium‒phosphite coordination polymers CrystEngComm, 2014, 16, 2266 |
| 7232731 | CIF | C4 H9 N O3 | P 21 21 21 | 4.9556; 13.322; 6.874 90; 90; 90 | 453.8 | 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 |
| 7223913 | CIF | C21 H15 N O9 | P 1 | 12.6465; 7.9602; 5.3536 58.9404; 92.1712; 99.689 | 454.322 | Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization. CrystEngComm, 2016 |
| 7215755 | CIF | C8 H13 N3 O | P -1 | 7.4126; 7.672; 8.1731 88.391; 83.564; 80.059 | 454.92 | Jones, P. G.; Taouss, Christina Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling CrystEngComm, 2014 |
| 7233470 | CIF | C D3 N2 O | I 1 2/a 1 | 9.4872; 3.81402; 12.8589 90; 77.936; 90 | 455.02 | 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 |
| 7248553 | CIF | C20 H13 N5 O4 | P 1 | 6.5102; 7.1433; 9.9181 95.079; 90.432; 97.825 | 455.06 | Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering CrystEngComm, 2024 |
| 7232753 | CIF | C5 H3 N O | P 1 21/c 1 | 5.2801; 12.0768; 7.2295 90; 98.788; 90 | 455.59 | Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. In situ cryocrystallization and solid-state structures of furfural and some derivatives CrystEngComm, 2019, 21, 3295 |
| 7209290 | CIF | C7 H10 N2 O6 | P 1 21 1 | 7.577; 6.894; 8.927 90; 102.174; 90 | 455.8 | Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold CrystEngComm, 2013, 15, 2157 |
| 7208661 | CIF | C4 H10 O2 | P 21 21 21 | 4.9467; 9.3791; 9.834 90; 90; 90 | 456.25 | Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol CrystEngComm, 2012, 14, 6419 |
| 7200730 | CIF | C11 H5 F4 N O | P -1 | 4.9386; 7.25; 13.21 97.63; 96.44; 100.47 | 456.5 | Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals CrystEngComm, 2009, 11, 1122 |
| 7225838 | CIF | B3 Ca4.03 La0.11 O10 Y0.86 | C 1 m 1 | 8.1214; 16.1024; 3.5623 90; 101.211; 90 | 456.97 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
| 7206986 | CIF | C16 H16 O14 U | P -1 | 5.5628; 6.5429; 13.8049 99.877; 91.181; 111.977 | 457.06 | Thuéry, Pierre; Masci, Bernardo Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids CrystEngComm, 2012, 14, 131 |
| 7206393 | CIF | C5 H10 Er N O8 | P 1 21 1 | 6.6118; 7.5662; 9.2756 90; 99.8267; 90 | 457.215 | Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components CrystEngComm, 2011, 13, 5285 |
| 7245600 | CIF | C H4 O | P 1 21/c 1 | 4.3989; 11.809; 10.981 90; 126.69; 90 | 457.4 | Aldum, J. Collen; Jones, Isabelle; McGonigal, Paul R.; Spagnoli, Dino; Stapleton, Nicholas D.; Turner, Gemma F.; Moggach, Stephen A. The structure of methanol at 5.09 GPa: the fortuitous formation of a new high-pressure phase CrystEngComm, 2022 |
| 7210010 | CIF | C20 H8 F6 O6 | P -1 | 5.2422; 7.156; 13.2155 93.426; 98.645; 109.868 | 457.66 | Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals CrystEngComm, 2013, 15, 5403 |
| 7248291 | CIF | C23 H11 Br N4 | P -1 | 7.455; 7.934; 8.27 85.443; 76.787; 74.123 | 458 | Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives CrystEngComm, 2024, 26, 2155-2165 |
| 7211934 | CIF | C8 H10 N2 O4 | P 1 21/m 1 | 8.0829; 6.2852; 9.0979 90; 97.551; 90 | 458.19 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives CrystEngComm, 2010, 12, 898 |
| 7216389 | CIF | C8 H16 N4 O2 | P 1 21/c 1 | 9.789; 6.441; 7.862 90; 112.18; 90 | 459 | Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard Weak hydrogen and dihydrogen bonds instead of strong N‒H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis CrystEngComm, 2014, 16, 7638 |
| 7219346 | CIF | C4 H4 O4 | P b c a | 5.2399; 7.4388; 11.7763 90; 90; 90 | 459.02 | Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H. Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments CrystEngComm, 2015, 17, 1778 |
| 7216757 | CIF | C14 H22 Cl2 Cu2 N4 O2 | P -1 | 4.4013; 8.2656; 12.976 82.02; 87; 79.24 | 459.1 | Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties CrystEngComm, 2014, 16, 8027 |
| 7229745 | CIF | C4 H11 B Br F4 N | P 1 21/m 1 | 6.149; 8.012; 9.507 90; 101.19; 90 | 459.5 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
| 7231797 | CIF | C6 H4 Br2 Mn N2 | P 1 1 21 | 3.8347; 7.258; 16.5477 90; 90; 93.41 | 459.74 | Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers CrystEngComm, 2018, 20, 7556 |
| 7239742 | CIF | Co0.5 Cs0.86 O4 Rb0.14 Si1.5 | I 1 m 1 | 8.996; 5.45; 9.381 90; 90.709; 90 | 459.9 | Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure CrystEngComm, 2020, 22, 1112-1119 |
| 7226509 | CIF | C7 H6 Hg N6 O2 | P m m a | 7.2488; 6.2654; 10.1326 90; 90; 90 | 460.19 | 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 |
| 7242583 | CIF | Ca H3 Ni2 O10.5 Se3 | P 1 21/m 1 | 7.7605; 7.3336; 8.9393 90; 115.115; 90 | 460.66 | Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration CrystEngComm, 2021, 23, 3126-3132 |
| 7209321 | CIF HKL | C7 H4 Cd N6 O2 | P -1 | 3.5617; 11.4103; 12.0524 71.286; 83.404; 87.609 | 460.84 | Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine CrystEngComm, 2010, 12, 3038-3045 |
| 7242877 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.327; 3.462; 14.734 90; 104.37; 90 | 460.9 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7239741 | CIF | Co0.5 Cs O4 Si1.5 | I 1 m 1 | 8.9926; 5.4599; 9.3958 90; 91.5928; 90 | 461.14 | Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure CrystEngComm, 2020, 22, 1112-1119 |
| 7217630 | CIF | C7 H7 Fe N O7 | P -1 | 7.137; 7.968; 9.108 75.892; 68.644; 76.345 | 461.6 | Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors CrystEngComm, 2014, 16, 9208 |
| 7206339 | CIF | C6 Br4 Na O2 | P 1 21/n 1 | 8.1909; 3.6689; 15.5125 90; 97.712; 90 | 461.96 | Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals CrystEngComm, 2011, 13, 5170 |
| 7245038 | CIF | C12 H10 N O | P -1 | 5.88; 7.98; 10.6 109.01; 98.48; 93.59 | 462 | Kaltenegger, Martin; Hofer, Sebastian; Resel, Roland; Werzer, Oliver; Riegler, Hans; Simbrunner, Josef; Winkler, Christian; Geerts, Yves; Liu, Jie Engineering of a kinetically driven phase of phenoxazine by surface crystallisation CrystEngComm, 2022 |
| 7200291 | CIF | C18 H22 N4 O6 | P -1 | 5.0302; 5.46; 16.9903 82.38; 89.395; 90.006 | 462.49 | Karki, Shyam; Friščić, Tomislav; Jones, William Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal CrystEngComm, 2009, 11, 470 |
| 7225701 | CIF | C7 H13 N O2 S2 | P 1 21 1 | 6.4993; 8.663; 8.5034 90; 104.738; 90 | 463.02 | 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 |
| 7209116 | CIF | C6 H16 Br N | P 1 21/m 1 | 7.9465; 8.1567; 7.9743 90; 116.379; 90 | 463.05 | Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław Room-temperature ferroelectricity in diisopropylammonium bromide CrystEngComm, 2013, 15, 940 |
| 7238265 | CIF | C4 H15 N2 O6 P2 | P -1 | 5.6936; 8.1718; 10.6221 72.749; 79.075; 84.784 | 463.11 | Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures CrystEngComm, 2010, 12, 3327 |
| 7202361 | CIF | C3 H9 N O4 | P 21 21 21 | 9.3728; 11.0359; 4.4782 90; 90; 90 | 463.21 | Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E. High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation CrystEngComm, 2008, 10, 1758 |
| 7205195 | CIF | C14 H24 N6 O6 | P -1 | 7.2549; 7.7629; 9.1054 98.095; 99.515; 110.281 | 463.39 | Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes CrystEngComm, 2011, 13, 215 |
| 7232738 | CIF | C4 H9 N O3 | P 21 21 21 | 4.9715; 13.236; 7.042 90; 90; 90 | 463.4 | 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 |
| 7225708 | CIF | C6 H13 N O3 S2 | P 1 21 1 | 6.6882; 8.6039; 8.0793 90; 94.507; 90 | 463.48 | 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 |
| 7206296 | CIF | C4 H6 O2 | P 1 21/c 1 | 3.8056; 10.4842; 11.6286 90; 91.468; 90 | 463.81 | Oswald, Iain D. H.; Urquhart, Andrew J. Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure CrystEngComm, 2011, 13, 4503 |
| 7214897 | CIF | C5 H9 Br3 O2 | P 1 21/m 1 | 4.1771; 19.2999; 6.0082 90; 106.732; 90 | 463.86 | Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K. Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform CrystEngComm, 2012, 14, 8222 |
| 7217151 | CIF | C4 As N2 O6 U | P -1 | 7.17; 7.181; 9.831 73.511; 73.892; 89.122 | 465.2 | Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C. Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique CrystEngComm, 2014, 16, 7236 |
| 7224789 | CIF | C11 H16 N2 O | P -1 | 6.926; 8.343; 9.223 66.57; 81.99; 72.07 | 465.2 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7216300 | CIF | C23 H12 N4 | P -1 | 7.416; 8.074; 8.118 106.13; 93.94; 91.53 | 465.3 | 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 |
| 7210752 | CIF | C11 H9 N3 O | P -1 | 5.9838; 7.5827; 11.0466 83.44; 85.331; 69.289 | 465.31 | Khavasi, Hamid Reza; Tehrani, Alireza Azhdari Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides CrystEngComm, 2013, 15, 3222 |
| 7208710 | CIF | C12 H22 Cd Cl2 N4 S2 | P -1 | 5.8719; 8.9749; 9.2191 78.23; 78.19; 88.73 | 465.46 | Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates CrystEngComm, 2012, 14, 6599 |
| 7206365 | CIF | C16 H24 N6 O8 | P -1 | 4.5537; 9.3845; 11.1398 79.342; 85.338; 85.904 | 465.52 | Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M. Exceptions to the rule: new hydrogen-bonded networks from an old reliable CrystEngComm, 2011, 13, 753 |
| 7245744 | CIF | C24 H12 N4 O | P -1 | 6.7631; 8.0049; 9.0066 99.642; 97.616; 100.727 | 465.52 | Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor CrystEngComm, 2022 |
| 7232737 | CIF | C4 H9 N O3 | P 21 21 21 | 4.9824; 13.353; 7.0029 90; 90; 90 | 465.9 | 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 |
| 7233038 | CIF | C6 H14 N2 O6 | P -1 | 7.439; 8.215; 8.298 97.332; 104.578; 104.053 | 466.4 | 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 |
| 7206336 | CIF | C6 Br4 O2 | P 1 21/c 1 | 9.0589; 6.197; 8.6426 90; 105.932; 90 | 466.54 | Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals CrystEngComm, 2011, 13, 5170 |
| 7207485 | CIF | C7 H12 Cl2 O | P -1 | 6.2893; 7.8029; 10.3006 103.76; 103.15; 98.4 | 467.28 | Yufit, D. S.; Howard, J. A. K. Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane CrystEngComm, 2012, 14, 2003 |
| 7207812 | CIF | C14 H18 Cd O12 S2 | P -1 | 5.6965; 7.1619; 11.935 93.51; 92.42; 105.53 | 467.39 | Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand CrystEngComm, 2012, 14, 3501 |
| 7203060 | CIF | C10 H10 O S | P -1 | 6.7881; 7.9542; 8.7386 94.048; 92.037; 95.872 | 467.75 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7201906 | CIF | C5 H4 I2 N O Pb | P -1 | 4.5644; 8.9738; 11.778 78.05; 83.67; 84.67 | 467.88 | Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands CrystEngComm, 2008, 10, 770 |
| 7209624 | CIF | C20 H18 N2 O8 | P -1 | 3.88; 10.058; 12.438 76.64; 88.3; 82.26 | 468 | Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance CrystEngComm, 2013, 15, 2795 |
| 7248632 | CIF | C3 H2 N2 O2 S | P -1 | 3.68025; 9.5291; 13.5746 83.751; 87.678; 81.873 | 468.32 | Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation? CrystEngComm, 2024 |
| 7214141 | CIF | C8 H8 Ag N3 O3 | P -1 | 6.9803; 8.0918; 9.3207 70.662; 74.329; 74.113 | 468.351 | Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks CrystEngComm, 2014, 16, 2660 |
| 7230563 | CIF | C10 H10 N2 O2 | P 1 21 1 | 7.3454; 6.2161; 10.797 90; 108.144; 90 | 468.48 | Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes CrystEngComm, 2018, 20, 2907 |
| 7203054 | CIF | C H5 N3 O4 | P 1 21/c 1 | 7.9761; 8.2004; 7.3668 90; 103.414; 90 | 468.697 | Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu. NO3‒⋯NO3‒ and NO3‒⋯π interactions in the crystal of urea nitrate CrystEngComm, 2007, 9, 991 |
| 7214898 | CIF | C5 H9 Br3 O2 | P 1 21/m 1 | 4.2028; 19.3569; 6.0247 90; 106.761; 90 | 469.31 | Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K. Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform CrystEngComm, 2012, 14, 8222 |
| 7206911 | CIF | C8 H7 Br O2 Ru | P -1 | 6.1076; 6.8545; 11.658 80.201; 82.342; 79.028 | 469.57 | Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A. Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow CrystEngComm, 2012, 14, 812 |
| 7244089 | CIF | C10 H4 I N O | P -1 | 5.6138; 7.8625; 11.1133 104.33; 96.117; 94.399 | 469.84 | Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones CrystEngComm, 2022 |
| 7209847 | CIF | B3 Ca4 O10 Pr | C 1 m 1 | 8.1772; 16.157; 3.6286 90; 101.399; 90 | 469.95 | Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3 CrystEngComm, 2013, 15, 5226 |
| 7218742 | CIF | C14 H4 S12 | P -1 | 6.2212; 6.4416; 12.32 96.924; 103.818; 97.07 | 469.99 | Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties CrystEngComm, 2015, 17, 787 |
| 7225706 | CIF | C7 H13 N O3 S2 | P 1 | 6.8616; 8.8688; 8.9458 66.923; 70.122; 85.373 | 470.12 | 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 |
| 7227236 | CIF | C6 H4 N6 Na O4 | P 1 2/n 1 | 9.6805; 3.52584; 14.4065 90; 106.805; 90 | 470.722 | 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 |
| 7216189 | CIF | C12 H10 Cd2 N16 | P -1 | 6.622; 7.7322; 9.8897 80.5127; 88.4579; 70.5583 | 470.76 | Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands CrystEngComm, 2004, 6, 549 |
| 7216583 | CIF | C4 H12 N6 Ni S2 | P 1 21/n 1 | 9.956; 4.6144; 10.907 90; 110.034; 90 | 470.76 | 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 |
| 7246912 | CIF | C5 H10 N2 O6 P2 | P -1 | 7.327; 8.018; 9.174 113.48; 106.06; 90.3 | 470.9 | Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system CrystEngComm, 2023, 25, 3826-3836 |
| 7209322 | CIF HKL | C5 H4 Cd N10 | P -1 | 3.6149; 11.4499; 12.1649 70.789; 82.385; 86.674 | 471.22 | Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine CrystEngComm, 2010, 12, 3038-3045 |
| 7213764 | CIF | C26 H14 N4 | P -1 | 6.7083; 8.0897; 9.118 101.212; 97.72; 99.521 | 471.54 | Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K. Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane CrystEngComm, 2014, 16, 415 |
| 7207761 | CIF | C8 H10 Cl N3 O2 | P -1 | 5.3951; 8.1557; 11.4412 80.447; 84.791; 72.016 | 471.77 | Wu, An-Kai; Lee, Kwang-Ming Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers CrystEngComm, 2012, 14, 3424 |
| 7234391 | CIF | C10 H8 N2 O S | P -1 | 7.3622; 7.8278; 9.5248 73.758; 69.604; 68.658 | 471.81 | Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D. Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint CrystEngComm, 2019 |
| 7242878 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.348; 3.5161; 14.834 90; 104.56; 90 | 471.9 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7211944 | CIF | C15 H20 N6 O8 | P -1 | 6.998; 8.379; 9.25 116.302; 101.825; 91.149 | 472.1 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives CrystEngComm, 2010, 12, 898 |
| 7201829 | CIF | C4 D2 N2 O4 | P 21 21 21 | 5.82141; 5.8545; 13.85255 90; 90; 90 | 472.115 | Ibberson, Richard M.; Marshall, William G.; Budd, Laura E.; Parsons, Simon; Pulham, Colin R.; Spanswick, Christopher K. Alloxan—a new low-temperature phase determined by neutron powder diffraction CrystEngComm, 2008, 10, 465 |
| 7242759 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.878; 3.9147; 15.6886 90; 102.569; 90 | 472.24 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7232512 | CIF | Cd2 F2 O3 Se | P n m a | 7.8033; 10.566; 5.7294 90; 90; 90 | 472.39 | 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 |
| 7240726 | CIF | C9 H10 N2 O4 | P 1 21 1 | 7.8528; 5.5451; 10.9223 90; 96.394; 90 | 472.648 | 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 |
| 7201405 | CIF | C2 H Br Cl F O2 | P 1 21/c 1 | 7.73; 7.685; 7.997 90; 95.74; 90 | 472.7 | Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid CrystEngComm, 2009, 11, 2668 |
| 7211933 | CIF | C8 H12 N2 O4 | P 1 21/m 1 | 8.1472; 6.4965; 9.0107 90; 97.401; 90 | 472.95 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives CrystEngComm, 2010, 12, 898 |
| 7211880 | CIF | C4 F9 K O3 S | P -1 | 5.0606; 5.553; 16.997 83.233; 86.532; 87.185 | 473.02 | Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut Synthesis, crystal and molecular structure of alkali metal nonaflates CrystEngComm, 2010, 12, 795 |
| 7242760 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8729; 3.9195; 15.7126 90; 102.604; 90 | 473.17 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7231738 | CIF | C7 H14 N2 O4 | P -1 | 7.3825; 8.417; 8.8371 113.255; 105.18; 95.99 | 473.36 | Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate CrystEngComm, 2018, 20, 7826 |
| 7205402 | CIF | C2 H3 Cl3 | P n m a | 11.0912; 7.588; 5.6253 90; 90; 90 | 473.4 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Crystalline gas of 1,1,1-trichloroethane CrystEngComm, 2011, 13, 396 |
| 7200171 | CIF | C12 H20 N10 O6 Zn | P -1 | 7.148; 7.733; 8.6938 88.434; 89.527; 80.241 | 473.42 | Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers CrystEngComm, 2009, 11, 67 |
| 7200729 | CIF | C11 H5 F4 N O | P -1 | 4.9553; 7.3353; 13.504 96.42; 97.36; 100.81 | 473.5 | Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals CrystEngComm, 2009, 11, 1122 |
| 7246933 | CIF | C10 H11 N O4 | P 1 n 1 | 9.5646; 3.7993; 13.5636 90; 106.084; 90 | 473.59 | Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism CrystEngComm, 2023, 25, 4064-4075 |
| 7242584 | CIF | Ca H4 Ni2 O11 Se3 | P 1 21/m 1 | 7.8568; 7.3734; 8.9697 90; 114.275; 90 | 473.68 | Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration CrystEngComm, 2021, 23, 3126-3132 |
| 7246974 | CIF | C20 H14 Cd N4 O8 | P -1 | 4.9864; 10.0378; 10.0982 72.982; 83.424; 79.174 | 473.75 | Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J. Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks. CrystEngComm, 2023, 25, 4175-4181 |
| 7207216 | CIF | C5 H4 Ag3 N7 | P -1 | 8.651; 8.653; 8.658 61.51; 61.51; 61.51 | 473.8 | Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties CrystEngComm, 2012, 14, 1425 |
| 7223848 | CIF | C14 H26 O2 Pd S4 | P -1 | 6.8083; 7.5446; 10.4837 101.008; 98.983; 112.048 | 474.33 | 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 |
| 7215754 | CIF | C10 H9 N3 O3 | P -1 | 5.5178; 6.735; 13.337 87.308; 82.823; 74.791 | 474.48 | Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles. CrystEngComm, 2014 |
| 7218482 | CIF | C6 H14 N5 O3 | P -1 | 7.576; 8.3143; 8.5662 63.075; 88.633; 81.063 | 474.58 | Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli Biguanide and squaric acid as pH-dependent building blocks in crystal engineering CrystEngComm, 2014, 16, 10631 |
| 7225491 | CIF | C9 H7 Cl N4 O | P 1 c 1 | 3.7737; 14.259; 8.993 90; 101.23; 90 | 474.6 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann 1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties CrystEngComm, 2016, 18, 7284 |
| 7202360 | CIF | C3 D9 N O4 | P 21 21 21 | 9.3701; 11.1831; 4.52938 90; 90; 90 | 474.62 | Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E. High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation CrystEngComm, 2008, 10, 1758 |
| 7242761 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8702; 3.9302; 15.732 90; 102.573; 90 | 474.94 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7206413 | CIF | C14 H16 Cu N8 O10 | P -1 | 7.067; 7.563; 9.867 69.266; 88.868; 75.042 | 475 | Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior CrystEngComm, 2011, 13, 5401 |
| 7228841 | CIF | C16 H10 Br2 F4 N6 O2 | P -1 | 5.2164; 5.7379; 16.463 98.285; 90.049; 102.844 | 475.14 | Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds CrystEngComm, 2017 |
| 7214899 | CIF | C5 H9 Br3 O2 | P 1 21/m 1 | 4.2311; 19.421; 6.0413 90; 106.76; 90 | 475.34 | Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K. Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform CrystEngComm, 2012, 14, 8222 |
| 7223843 | CIF | C14 H26 O2 Pd S4 | P -1 | 7.0663; 8.4457; 9.2536 63.74; 73.752; 83.782 | 475.4 | 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 |
| 7200720 | CIF | C18 H24 Cl2 N4 O2 | P -1 | 7.0599; 8.7225; 8.8705 68.766; 78.791; 69.544 | 475.61 | Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F. Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts CrystEngComm, 2009, 11, 1416 |
| 7208660 | CIF | C4 H10 O2 | P 21 21 21 | 4.9973; 9.4478; 10.076 90; 90; 90 | 475.72 | Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol CrystEngComm, 2012, 14, 6419 |
| 7202359 | CIF | C3 H9 N O4 | P 21 21 21 | 9.3706; 11.204; 4.5341 90; 90; 90 | 476.03 | Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E. High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation CrystEngComm, 2008, 10, 1758 |
| 7210539 | CIF | C20 H18 Br2 O4 | P -1 | 5.6686; 7.1886; 12.3615 75.833; 80.649; 79.137 | 476.06 | Li, Yu; Song, Datong Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids CrystEngComm, 2011, 13, 1821-1830 |
| 7247374 | CIF | C8 H8 N4 O4 | P -1 | 7.0461; 7.5519; 9.8725 96.563; 102.071; 108.791 | 476.88 | Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B. A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate CrystEngComm, 2023, 25, 5413-5419 |
| 7200848 | CIF | C4 H2 O4 Zn | C 1 2/c 1 | 8.2406; 5.21314; 11.4415 90; 103.909; 90 | 477.11 | 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 |
| 7247376 | CIF | C8 H8 N4 O4 | P -1 | 4.9852; 9.8017; 10.6338 67.729; 86.664; 83.011 | 477.23 | Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B. A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate CrystEngComm, 2023, 25, 5413-5419 |
| 7242763 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8846; 3.9372; 15.754 90; 102.594; 90 | 477.29 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7232734 | CIF | C4 H9 N O3 | P 21 21 21 | 5.0055; 13.4104; 7.1162 90; 90; 90 | 477.68 | 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 |
| 7234023 | CIF | C8 H7 O9 Tb | P -1 | 7.086; 7.9756; 9.2021 67.832; 86.055; 82.82 | 477.71 | Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations CrystEngComm, 2019, 21, 6591 |
| 7210748 | CIF | C11 H8 F N3 O | P 1 c 1 | 11.7158; 3.8018; 10.9082 90; 100.377; 90 | 477.92 | Khavasi, Hamid Reza; Tehrani, Alireza Azhdari Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides CrystEngComm, 2013, 15, 3222 |
| 7231274 | CIF | C19 H11 F4 I2 N O | P -1 | 5.3298; 5.9839; 15.276 90.196; 93.824; 100.428 | 478.02 | Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor CrystEngComm, 2018, 20, 5332 |
| 7242764 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8876; 3.9434; 15.7578 90; 102.624; 90 | 478.28 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7206679 | CIF | C18 H20 N6 O6 | P -1 | 7.9451; 8.6039; 8.71 64.75; 73.33; 63.46 | 478.3 | Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts CrystEngComm, 2011, 13, 6632 |
| 7242767 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8758; 3.9534; 15.7573 90; 102.653; 90 | 478.71 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7233462 | CIF | C D3 N2 O | I 1 2/a 1 | 9.3429; 4.55499; 11.3567 90; 82.183; 90 | 478.81 | 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 |
| 7243952 | CIF | C6 Cl5 I | P 1 21/n 1 | 8.1229; 3.9138; 15.0718 90; 92.013; 90 | 478.86 | Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268 |
| 7242762 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8864; 3.9488; 15.774 90; 102.624; 90 | 479.36 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7230845 | CIF | C8 H2 I2 N2 | P -1 | 6.9085; 7.7205; 9.6719 93.192; 110.609; 94.05 | 479.86 | 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 |
| 7242765 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8728; 3.9608; 15.7845 90; 102.664; 90 | 480.23 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7242766 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8662; 3.966; 15.7823 90; 102.696; 90 | 480.33 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7216277 | CIF | C6 H7 N2 O5.57 | P -1 | 7.231; 8.296; 9.235 115.97; 102.84; 91.74 | 480.4 | Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids CrystEngComm, 2003, 5, 358 |
| 7240195 | CIF | C4 H6 Ba2 F O4 | C 1 2 1 | 6.0948; 6.0953; 12.937 90; 89.996; 90 | 480.6 | 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 |
| 7225668 | CIF | C20 H20 Cl2 N2 O4 | P -1 | 7.6305; 8.3081; 8.4348 65.839; 80.61; 88.28 | 480.94 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 7225669 | CIF | C20 H20 Cl2 N2 O4 | P -1 | 7.6305; 8.3081; 8.4348 65.839; 80.61; 88.28 | 480.94 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 7208659 | CIF | C4 H10 O2 | P 21 21 21 | 5.0292; 9.3989; 10.186 90; 90; 90 | 481.48 | Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol CrystEngComm, 2012, 14, 6419 |
| 7231792 | CIF | C7 H10 F N2 O5 | P -1 | 5.06; 6.392; 15.823 87.32; 83.9; 71.23 | 481.8 | Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus Co-crystallization and polymorphic behaviour of 5-fluorouracil CrystEngComm, 2019, 21, 2130 |
| 7206960 | CIF | C11 H10 N2 | P 21 21 2 | 7.3655; 11.7786; 5.5546 90; 90; 90 | 481.89 | Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation CrystEngComm, 2012, 14, 178 |
| 7233456 | CIF | C D3 N2 O | I 1 2/a 1 | 9.3394; 4.57648; 11.3816 90; 82.16; 90 | 481.92 | 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 |
| 7229743 | CIF | C4 H11 Br Cl N O4 | P 1 21/m 1 | 6.25; 8.164; 9.64 90; 101.49; 90 | 482 | Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4] CrystEngComm, 2018, 20, 454 |
| 7205653 | CIF | C4 H5 Ca0.5 O2 | P 1 2/c 1 | 14.536; 5.2295; 6.4483 90; 100.415; 90 | 482.1 | Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M. Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium CrystEngComm, 2011, 13, 3146 |
| 7228079 | CIF | C12 H10 N2 | P 1 c 1 | 7.3773; 5.741; 12.67 90; 115.92; 90 | 482.6 | Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies CrystEngComm, 2017 |
| 7232837 | CIF | C8 H12 N26 O4 | P -1 | 6.4179; 7.4575; 10.8598 74.881; 74.297; 88.026 | 482.68 | Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming From BTO2− to HBTO− insensitive energetic salt: a route to boost energy CrystEngComm, 2019, 21, 3873 |
| 7206297 | CIF | C4 H6 O2 | P 1 21/c 1 | 3.8808; 10.616; 11.718 90; 91.24; 90 | 482.7 | Oswald, Iain D. H.; Urquhart, Andrew J. Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure CrystEngComm, 2011, 13, 4503 |
| 7241100 | CIF | C8 H11 N5 O3 | P -1 | 8.297; 8.4259; 8.6973 73.191; 62.99; 63.742 | 482.84 | Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations CrystEngComm, 2020 |
| 7219125 | CIF | C16 H26 B2 N2 O8 | P 1 | 6.894; 7.6323; 9.9174 79.286; 71.221; 81.683 | 483.41 | Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids CrystEngComm, 2015, 17, 5166 |
| 7242768 | CIF | C14 H8 O2 | P 1 21/c 1 | 7.8868; 3.9718; 15.822 90; 102.719; 90 | 483.46 | Rather, Sumair A.; Saha, Binoy K. Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study CrystEngComm, 2021, 23, 5768-5773 |
| 7224788 | CIF | C11 H16 N2 O | P -1 | 7.0048; 8.453; 9.3834 66.49; 81.84; 71.705 | 483.6 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7223844 | CIF | C14 H26 O2 Pd S4 | P -1 | 6.1398; 6.7176; 11.9393 90.02; 99.397; 95.377 | 483.63 | 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 |
| 7233461 | CIF | C D3 N2 O | I 1 2/a 1 | 9.338; 4.59377; 11.4034 90; 82.154; 90 | 484.59 | 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 |
| 7203052 | CIF | C10 H16 Cs2 N4 Ni O14 | P -1 | 7.1982; 8.634; 9.2042 105.813; 99.892; 112.181 | 484.83 | Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes CrystEngComm, 2007, 9, 852 |
| 7243954 | CIF | C16 H8 Cl5 I N4 | P -1 | 3.9144; 10.6909; 12.4925 111.51; 93.205; 91.807 | 484.858 | Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268 |
| 7214365 | CIF | C9 H10 N2 O5 | P -1 | 5.166; 7.666; 13.086 74.73; 81.423; 77.409 | 485.6 | Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A. Can picolinamide be a promising cocrystal former? CrystEngComm, 2014, 16, 4365 |
| 7216633 | CIF | C6 H6 Ca Cl2 N2 O | P 1 n 1 | 18.1964; 8.1426; 3.9569 90; 124.043; 90 | 485.8 | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2 CrystEngComm, 2014, 16, 7452 |
| 7201029 | CIF | C6 H8 Br2 Hg N2 | P -1 | 4.0289; 10.454; 12.306 105.738; 94.848; 100.308 | 485.96 | Mahmoudi, Ghodrat; Morsali, Ali Mercury(II) metal‒organic coordination polymers with pyrazine derivatives CrystEngComm, 2009, 11, 1868 |
| 7227720 | CIF | C3 H3 Cl Li N3 O3 | R 3 m :H | 7.7079; 7.7079; 9.4483 90; 90; 120 | 486.135 | Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl CrystEngComm, 2017, 19, 1366 |
| 7233455 | CIF | C D3 N2 O | I 1 2/a 1 | 9.337; 4.60528; 11.4184 90; 82.134; 90 | 486.37 | 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 |
| 7234018 | CIF | C8 H7 Nd O9 | P -1 | 7.0897; 8.0981; 9.2634 67.362; 86.126; 82.729 | 486.81 | Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations CrystEngComm, 2019, 21, 6591 |
| 7212769 | CIF | C14 H8 O3 | P 21 21 2 | 17.034; 3.893; 7.3497 90; 90; 90 | 487.38 | Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source CrystEngComm, 2010, 12, 3483 |
| 7208658 | CIF | C4 H10 O2 | P 21 21 21 | 5.0482; 9.422; 10.25 90; 90; 90 | 487.53 | Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol CrystEngComm, 2012, 14, 6419 |
| 7228602 | CIF | C2 F4 S2 | P b c a | 7.814; 5.7599; 10.8324 90; 90; 90 | 487.54 | nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe Fluorination promotes chalcogen/tetrel bonding in crystalline solids CrystEngComm, 2017 |
| 7223346 | CIF | C11 H9 N2 O3 | P -1 | 4.9838; 9.8417; 10.3031 100.059; 100.517; 91.372 | 488.42 | Tarai, Arup; Baruah, Jubaraj B. Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis CrystEngComm, 2016, 18, 298 |
| 7233473 | CIF | C D3 N2 O | I 1 2/a 1 | 9.3332; 4.6196; 11.4456 90; 82.101; 90 | 488.8 | 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 |
| 7200983 | CIF | C5 H12 Br Cu N2 S | P 1 21/m 1 | 5.898; 7.371; 11.31 90; 96.064; 90 | 488.9 | Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand CrystEngComm, 2009, 11, 1615 |
| 7215698 | CIF | C16 H24 Mg N2 O8 | P -1 | 7.699; 7.897; 9.378 84.34; 72.67; 64.01 | 488.9 | He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol CrystEngComm, 2014, 16, 4210 |
| 7244144 | CIF | C20 H12 Cd3 N2 O12 | P -1 | 8.0862; 8.1863; 8.4893 72.651; 81.681; 65.767 | 488.97 | Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D. Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker CrystEngComm, 2022, 24, 863-876 |
| 7220386 | CIF | C H Cu N7 | P 21 21 21 | 6.7352; 7.5089; 9.6823 90; 90; 90 | 489.67 | Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties CrystEngComm, 2015, 17, 4136 |
| 7231478 | CIF | C4 H11 Cl4 Cu N | P -1 | 6.3887; 8.7893; 9.6997 66.57; 82.91; 79 | 489.9 | Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries CrystEngComm, 2018, 20, 6261 |
| 7202449 | CIF | C6 H16 Cl2 N2 | P 1 21/n 1 | 5.2576; 14.8849; 6.3547 90; 99.85; 90 | 489.981 | Baisch, Ulrich; Rubini, Katia; Braga, Dario Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides CrystEngComm, 2008, 10, 1939 |
| 7242879 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.409; 3.6033; 14.945 90; 104.55; 90 | 490.4 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7219212 | CIF | C2 H3 Cu N4 S | P 1 21/c 1 | 7.807; 6.49; 10.879 90; 117.15; 90 | 490.5 | Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui Crystal engineering towards the luminescence property trimming of hybrid coordination polymers CrystEngComm, 2015, 17, 1686 |
| 7232732 | CIF | C4 H9 N O3 | P 21 21 21 | 5.0359; 13.462; 7.2375 90; 90; 90 | 490.65 | 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 |
| 7226154 | CIF | C4 H4 Cu K2 O10 | P -1 | 6.904; 8.66; 8.929 107.95; 99.637; 97.637 | 490.9 | Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D. Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration CrystEngComm, 2016, 18, 5062 |
| 7219677 | CIF | C18 H20 Cu N4 O6 | P -1 | 7.7444; 8.2359; 8.8697 66.62; 71.005; 82.957 | 490.99 | Croitor, Lilia; Grabco, Daria Z.; Coropceanu, Eduard B.; Pyrtsac, Constantin; Fonari, Marina S. Structure and mechanical features of one-dimensional coordination polymer catena-{(μ2-adipato-O,O′)-bis(pyridine-4-aldoxime)-copper(ii)} CrystEngComm, 2015, 17, 2450 |
| 7226507 | CIF | C H2 Cl Hg N5 | P 1 21/n 1 | 8.1233; 6.9274; 8.7456 90; 93.122; 90 | 491.41 | 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 |
| 7206912 | CIF | C8 H7 I O2 Ru | P -1 | 6.9642; 7.4745; 10.068 92.968; 95.936; 108.783 | 491.49 | Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A. Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow CrystEngComm, 2012, 14, 812 |
| 7214555 | CIF | C16 H22 Cd N4 O8 | P -1 | 7.4763; 8.3707; 9.0121 93.246; 113.291; 105.23 | 491.575 | Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation CrystEngComm, 2013, 15, 9457 |
| 7202007 | CIF | C6 H6 N2 O8 U | P 1 c 1 | 5.422; 6.2926; 14.5732 90; 98.472; 90 | 491.79 | Masci, Bernardo; Thuéry, Pierre Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers CrystEngComm, 2008, 10, 1082 |
| 7233472 | CIF | C D3 N2 O | I 1 2/a 1 | 9.3308; 4.6415; 11.4721 90; 82.069; 90 | 492.09 | 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 |
| 7224787 | CIF | C11 H16 N2 O | P -1 | 7.0242; 8.496; 9.475 66.75; 81.96; 71.38 | 492.3 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7246664 | CIF | C7 H4 N2 O S4 | P -1 | 7.0683; 8.6879; 9.462 111.186; 108.771; 97.407 | 492.78 | Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique Non-covalent interactions in neutral and oxidized tetrathiafulvalenes CrystEngComm, 2023, 25, 2946-2958 |
| 7228455 | CIF | C4 H4.359 F0.641 N3 O | P 1 21/n 1 | 4.00808; 9.43931; 13.0306 90; 91.179; 90 | 492.889 | Braun, Doris Elfriede; Griesser, Ulrich J. Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine CrystEngComm, 2017 |
| 7204618 | CIF | C10 H6 N8 | P 1 21/c 1 | 12.968; 5.596; 6.813 90; 92.099; 90 | 494.08 | Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions CrystEngComm, 2003, 5, 82 |
| 7202358 | CIF | C3 H9 N O4 | P 21 21 21 | 9.3563; 11.443; 4.6166 90; 90; 90 | 494.27 | Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E. High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation CrystEngComm, 2008, 10, 1758 |
| 7238223 | CIF | C6 H6 | P b c a | 6.914; 7.476; 9.563 90; 90; 90 | 494.3 | 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 |
| 7227243 | CIF | C26 H10 F4 N4 | P -1 | 6.7854; 8.2932; 9.432 97.567; 107.241; 97.513 | 494.35 | Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds CrystEngComm, 2017, 19, 618 |
| 7200490 | CIF | C12 H6 O4 | P 1 2/c 1 | 3.799; 10.4652; 12.4395 90; 90.309; 90 | 494.55 | 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 |
| 7243953 | CIF | C18 H8 Cl5 I N2 | P -1 | 3.9516; 11.1045; 12.2703 112.085; 91.11; 96.392 | 494.72 | Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268 |
| 7207528 | CIF | C16 H10 Cu N8 O8 | P -1 | 6.9985; 8.0047; 9.5314 88.986; 68.71; 84.342 | 495 | Gurskiy, Stanislav I.; Tafeenko, Viktor A. The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations CrystEngComm, 2012, 14, 2721 |
| 7233260 | CIF | C8 H22 N12 O8 P0 S2 | P -1 | 6.206; 7.228; 11.882 93.919; 98.389; 108.883 | 495.1 | Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min Supramolecular hydrogen-bonded organic networks through acid–base pairs as efficient proton-conducting electrolytes CrystEngComm, 2019, 21, 4996 |
| 7243955 | CIF | C18 H10 Cl5 I N2 | P -1 | 3.9746; 10.7984; 12.4426 111.056; 93.327; 93.491 | 495.61 | Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal CrystEngComm, 2021, 23, 8265-8268 |
| 7201404 | CIF | C2 H Br Cl F O2 | P 1 21/c 1 | 7.898; 7.84; 8.043 90; 95.553; 90 | 495.7 | Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid CrystEngComm, 2009, 11, 2668 |
| 7244846 | CIF | C5 H4 Au Br Cl3 N | P -1 | 7.0468; 7.96; 9.2442 80.193; 78.165; 80.695 | 495.75 | Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules CrystEngComm, 2022 |
| 7234214 | CIF | C16 H8 F8 I2 N4 | P -1 | 5.166; 5.694; 17.261 98.37; 93.01; 98.12 | 495.9 | Torubaev, Yury; Skabitskiy, Ivan V. The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals. CrystEngComm, 2019 |
| 7231479 | CIF | C4 H11 Cl4 Cu N | P -1 | 6.411; 8.835; 9.7295 66.616; 82.87; 79.14 | 496.02 | Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries CrystEngComm, 2018, 20, 6261 |
| 7200905 | CIF | C7 H3 Dy K O9 | P -1 | 6.656; 7.5778; 10.9904 100.325; 103.827; 106.904 | 496.21 | Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang 2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties CrystEngComm, 2009, 11, 1642 |
| 7230808 | CIF | C4 H6 O4 | C 1 2/c 1 | 5.7015; 8.4154; 10.3538 90; 90.374; 90 | 496.77 | Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction CrystEngComm, 2018, 20, 3971 |
| 7212214 | CIF | C20 H24 N2 O10 | P -1 | 6.2017; 8.3441; 9.6508 91.155; 93.378; 94.221 | 497.04 | Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network CrystEngComm, 2010, 12, 2011 |
| 7245697 | CIF | C6 H5 Br2 N3 S Zn | P -1 | 5.971; 7.5328; 11.7015 79.032; 78.762; 77.37 | 497.7 | Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes CrystEngComm, 2022 |
| 7207152 | CIF | C22 H16 N2 O12 | P -1 | 7.2785; 7.3763; 10.0274 72.392; 87.792; 76.164 | 497.91 | Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment CrystEngComm, 2012, 14, 1010 |
| 7228839 | CIF | C16 H10 F4 I2 N6 O2 | P -1 | 5.6157; 5.8013; 15.5403 85.616; 89.138; 80.7 | 498.16 | Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds CrystEngComm, 2017 |
| 7209645 | CIF | C18 H14 I2 N4 O2 | P -1 | 4.933; 8.4214; 12.3642 100.542; 82.986; 97.144 | 498.45 | Jin, Hongjian; Plonka, Anna M.; Parise, John B.; Goroff, Nancy S. Pressure induced topochemical polymerization of diiodobutadiyne: a single-crystal-to-single-crystal transformation CrystEngComm, 2013, 15, 3106 |
| 7211638 | CIF | C8 H8 N2 O8 | P -1 | 4.8656; 9.764; 11.1677 73.703; 80.971; 80.399 | 498.69 | Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates CrystEngComm, 2010, 12, 425 |
| 7201083 | CIF | C6 H9 Gd O8 | P -1 | 8.4598; 8.549; 8.8472 118.662; 113.552; 90.379 | 498.8 | Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties CrystEngComm, 2009, 11, 2131 |
| 7205401 | CIF | C2 H3 Cl3 | P n m a | 11.266; 7.748; 5.7183 90; 90; 90 | 499.1 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Crystalline gas of 1,1,1-trichloroethane CrystEngComm, 2011, 13, 396 |
| 7223282 | CIF | C13 H9 F2 N O | P -1 | 5.4385; 7.5939; 12.8178 106.251; 100.337; 90.203 | 499.16 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7243616 | CIF | C7 H6 In N O8 P | P -1 | 6.6218; 9.3168; 9.4721 114.317; 95.498; 105.293 | 499.59 | Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction CrystEngComm, 2021, 23, 6855-6858 |
| 7244121 | CIF | C7 H6 In N O8 P | P -1 | 6.6218; 9.3168; 9.4721 114.317; 95.498; 105.293 | 499.59 | Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction CrystEngComm, 2022 |
| 7213703 | CIF | C13 H11 N O | P -1 | 5.352; 7.971; 12.471 73.23; 79.202; 89.85 | 499.6 | Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking CrystEngComm, 2014, 16, 2078 |
| 7200904 | CIF | C7 H3 K O9 Tb | P -1 | 6.6743; 7.6033; 11.003 100.21; 103.892; 106.921 | 499.87 | Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang 2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties CrystEngComm, 2009, 11, 1642 |
| 7203264 | CIF | C6 H9 Cl3 O3 | P 1 21 1 | 8.6464; 5.6435; 10.8654 90; 109.451; 90 | 499.93 | Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates CrystEngComm, 2006, 8, 320 |
| 7207737 | CIF | C14 H8 O4 | P 1 c 1 | 8.1319; 3.7102; 16.8711 90; 100.455; 90 | 500.57 | Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata On two alizarin polymorphs CrystEngComm, 2012, 14, 3667 |
| 7215206 | CIF | C18 H24 O6 P2 | P -1 | 7.6515; 8.0147; 9.3307 71.162; 67.62; 84.036 | 500.64 | Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality CrystEngComm, 2014, 16, 6635 |
| 7216127 | CIF | C10 H11 N O2 S | P -1 | 5.6059; 7.9101; 11.9617 99.223; 101.517; 100.21 | 500.87 | Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T. Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides CrystEngComm, 2005, 7, 682 |
| 7215716 | CIF | C8 H6 Cu N4 O4 | P -1 | 6.785; 7.594; 10.591 70.714; 77.107; 88.869 | 501.2 | Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds CrystEngComm, 2014, 16, 4194 |
| 7244285 | CIF | C9 H9 Br O5 | P -1 | 4.275; 10.1068; 12.6263 108.66; 98.455; 97.857 | 501.32 | Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M. Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives CrystEngComm, 2022 |
| 7206736 | CIF | C13 H11 N O | P 1 21 1 | 8.1397; 5.2541; 11.853 90; 98.2; 90 | 501.7 | 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 |
| 7209932 | CIF | C7 H7 Mn N O8 P | P -1 | 6.1008; 6.7115; 12.9864 92.04; 95.79; 107.914 | 502.13 | Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids CrystEngComm, 2013, 15, 5602 |
| 7226907 | CIF | C20 H22 N8 | P -1 | 5.7849; 6.0656; 14.756 79.742; 88.831; 80.342 | 502.3 | Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm, 2017, 19, 11 |
| 7212168 | CIF | C16 H10 Cu3 N7 S3 | P 1 | 5.7798; 8.7059; 10.3704 83.7; 84.555; 76.231 | 502.49 | Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand CrystEngComm, 2010, 12, 1385 |
| 7200988 | CIF | Ag F4 K2 | C m c a | 6.182; 12.632; 6.436 90; 90; 90 | 502.6 | 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 |
| 7205316 | CIF | C9 H8 Cl N O5 | P -1 | 6.918; 8.368; 9.714 106.777; 93.774; 108.433 | 503.1 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid CrystEngComm, 2011, 13, 1037 |
| 7242243 | CIF | C8 H6 Ag F N4 O3 | P -1 | 3.7261; 7.1007; 19.4928 97.342; 94.485; 98.505 | 503.4 | Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity CrystEngComm, 2021, 23, 1961-1968 |
| 7235214 | CIF | C10 H12 N2 O4 | P 1 21/n 1 | 8.9683; 3.8091; 14.749 90; 91.476; 90 | 503.68 | Mohan, Midhun; Maris, Thierry; Duong, Adam Building coordination polymers using dipyridone ligands CrystEngComm, 2020, 22, 441-447 |
| 7241037 | CIF | C30 H20 O2 | P -1 | 7.8456; 8.3213; 9.5951 93.0871; 113.677; 114.38 | 504.1 | Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor CrystEngComm, 2020 |
| 7244394 | CIF | C8 H28 Cd Cu O18 | P -1 | 7.2811; 8.34; 9.858 68.729; 68.636; 70.01 | 504.11 | Li, Zhongyi; Zhang, Ran; Zhu, Peng-Yu; Zhang, Chi; Wu, Dongqing; Zhai, Bin Structures and magnetic properties of two heterometallic Cu(II)-Cd(II) polymers exhibiting antiferromagnetic ordering CrystEngComm, 2022 |
| 7210750 | CIF | C11 H8 Cl N3 O | P -1 | 5.8668; 7.2831; 13.1604 101.762; 96.668; 110.602 | 504.37 | Khavasi, Hamid Reza; Tehrani, Alireza Azhdari Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides CrystEngComm, 2013, 15, 3222 |
| 7207764 | CIF | C8 H10 N4 O5 | P -1 | 5.452; 6.1264; 15.5624 99.478; 92.657; 99.407 | 504.38 | Wu, An-Kai; Lee, Kwang-Ming Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers CrystEngComm, 2012, 14, 3424 |
| 7216707 | CIF | C24 H20 N2 O6 | P -1 | 7.86; 8.308; 8.547 87.812; 82.149; 65.9 | 504.6 | Tothadi, Srinu Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine CrystEngComm, 2014, 16, 7587 |
| 7212026 | CIF | C2 H2 Cl4 | P 1 21/c 1 | 5.5937; 11.586; 8.336 90; 110.6; 90 | 505.7 | Bujak, Maciej; Katrusiak, Andrzej Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane CrystEngComm, 2010, 12, 1263 |
| 7228386 | CIF | C20 H18 B2 N2 O12 | P -1 | 6.283; 9.068; 9.413 83.434; 71.683; 87.853 | 505.8 | Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties CrystEngComm, 2017 |
| 7245023 | CIF | C10 H20 N4 O12 P4 | P -1 | 7.528; 8.333; 9.306 107.37; 105.74; 102.95 | 505.8 | Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration CrystEngComm, 2022 |
| 7206597 | CIF | C12 H8 Cu3 N14 O6 | P -1 | 5.2676; 10.446; 10.739 116.41; 103.82; 92.64 | 506 | Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands CrystEngComm, 2011, 13, 6787 |
| 7223795 | CIF | C9 H7 Cl2 Hg N | P -1 | 7.3885; 7.6432; 9.6655 68.076; 87.897; 88.821 | 506 | 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 |
| 7235079 | CIF | C5 Li N O6 P2 | P -1 | 5.9014; 9.2693; 9.5123 85.902; 77.676; 85.588 | 506.03 | Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D. From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity CrystEngComm, 2018, 20, 7648 |
| 7232735 | CIF | C4 H9 N O3 | P 21 21 21 | 5.0694; 13.492; 7.403 90; 90; 90 | 506.3 | 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 |
| 7208860 | CIF | C12 H10 N3 O | P -1 | 7.352; 9.03; 9.219 116.322; 93.538; 108.236 | 506.4 | Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions CrystEngComm, 2013, 15, 577 |
| 7211799 | CIF | C7 H11 Cl3 O | P -1 | 6.044; 9.0987; 9.5963 98.82; 100.43; 97.22 | 506.44 | Yufit, D. S.; Howard, J. A. K. Low-melting molecular complexes of chloroform CrystEngComm, 2010, 12, 737 |
| 7224085 | CIF | B2 O6 Rb Sb | C 1 c 1 | 11.7148; 7.1633; 7.4109 90; 125.435; 90 | 506.71 | Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups CrystEngComm, 2016, 18, 1655 |
| 7212820 | CIF | C20 H24 Br I N4 | P -1 | 7.5738; 7.7425; 9.4012 109.086; 95.635; 99.598 | 506.74 | Roper, Laila C.; Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W. A halogen-bonded complex of DMAP with 4-bromoiodobenzene CrystEngComm, 2010, 12, 3382 |
| 7200800 | CIF | C8 H12 N2 O6 | P 1 21/c 1 | 5.559; 10.957; 8.429 90; 99.21; 90 | 506.8 | Rambaran, Varma H.; Balof, Shawna; Moody, LaMaryet; VanDerveer, Don; Holder, Alvin A. A new and efficient synthetic route for the synthesis of 3,6-dimethylpyrazine-2,5-dicarboxylic acid hydrate: molecular structure and unique supramolecular interactions CrystEngComm, 2009, 11, 580-582 |
| 7205616 | CIF | C22 H22 N2 O6 | P -1 | 7.102; 7.909; 9.35 97.37; 95.76; 101.14 | 506.8 | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds CrystEngComm, 2011, 13, 3181 |
| 7219800 | CIF | C13 H7 F4 N | P 1 21 1 | 9.756; 4.6737; 11.257 90; 99.132; 90 | 506.8 | Kaur, Gurpreet; Choudhury, Angshuman Roy A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses CrystEngComm, 2015, 17, 2949 |
| 7224786 | CIF | C11 H16 N2 O | P -1 | 7.081; 8.559; 9.604 67; 81.82; 71.19 | 507.1 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7207649 | CIF | C7 H12 Ag N5 S | P m c 21 | 6.2611; 6.4887; 12.483 90; 90; 90 | 507.14 | Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies CrystEngComm, 2012, 14, 2787 |
| 7204617 | CIF | C12 H8 N6 | P 1 21/c 1 | 5.0029; 5.4035; 18.788 90; 92.776; 90 | 507.3 | Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions CrystEngComm, 2003, 5, 82 |
| 7247687 | CIF | C10 H28 Cl4 Mn N2 O6 | P -1 | 5.9046; 7.8188; 11.5638 91.74; 99.872; 104.651 | 507.33 | Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation CrystEngComm, 2023, 25, 6568-6591 |
| 7202554 | CIF | C20 H24 N4 O6 | P -1 | 4.9718; 7.0047; 15.101 77.032; 89.414; 82.324 | 507.8 | Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions CrystEngComm, 2007, 9, 46 |
| 7212886 | CIF | C7 H10 Cu O10 | P -1 | 4.9663; 9.909; 10.491 94.104; 94.908; 97.222 | 508.5 | Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra CrystEngComm, 2010, 12, 4217 |
| 7227008 | CIF | C7 H8 Br2 N3 O2 | P -1 | 7.714; 8.0925; 9.1626 64.045; 81.55; 85.532 | 508.65 | Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems CrystEngComm, 2016, 18, 9325 |
| 7245431 | CIF | C18 H18 Cu N4 O10 | P -1 | 5.1679; 10.3878; 10.5431 113.875; 90.888; 99.321 | 508.66 | Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S. Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers CrystEngComm, 2022 |
| 7225195 | CIF | C11 H12 O4 | P -1 | 3.9208; 11.0581; 12.1034 79.857; 86.846; 80.343 | 509.07 | Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V. Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization CrystEngComm, 2016, 18, 4708 |
| 7218434 | CIF | C20 H20 Cd N12 O3 | P -1 | 7.563; 8.34; 9.721 68.15; 79.933; 63.506 | 509.3 | Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations CrystEngComm, 2015, 17, 947 |
| 7228661 | CIF | C5 H8 Br I N2 O S | P -1 | 7.786; 8.719; 9.403 62.62; 89.52; 66.88 | 509.6 | Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors CrystEngComm, 2017 |
| 7224007 | CIF | C4 H10 Cu I N2 S2 | P -1 | 7.4292; 8.0762; 9.614 107.059; 90.971; 110.972 | 510.1 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 7242874 | CIF | C2 N3 S3 | P 1 21/c 1 | 9.4388; 3.71; 15.0549 90; 104.552; 90 | 510.279 | Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A. Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA CrystEngComm, 2021, 23, 4444-4450 |
| 7200294 | CIF | C20 H26 N4 O6 | P -1 | 5.0288; 5.4403; 18.7537 93.062; 94.81; 90.74 | 510.45 | Karki, Shyam; Friščić, Tomislav; Jones, William Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal CrystEngComm, 2009, 11, 470 |
| 7218973 | CIF | C24 H16 F4 N2 O4 | P -1 | 6.916; 6.922; 11.215 88.869; 88.15; 72.09 | 510.6 | Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R. IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons CrystEngComm, 2015, 17, 1273 |
| 7214573 | CIF | Br4 Cu H12 N2 O2 | P -4 21 m | 7.869; 7.869; 8.248 90; 90; 90 | 510.73 | Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498 |
| 7225571 | CIF | C11 H7 O5 Pb | P -1 | 6.881; 7.7133; 9.8423 94.799; 98.494; 96.112 | 511.09 | Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems CrystEngComm, 2016, 18, 5901 |
| 7201550 | CIF | C13 H10 F N O | P -1 | 5.3691; 7.8623; 12.892 72.465; 80.495; 89.707 | 511.23 | Chopra, Deepak; Guru Row, T. N. Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides CrystEngComm, 2008, 10, 54 |
| 7242481 | CIF | H6 Na3 O27 S6 Y3 | P 31 2 1 | 6.8191; 6.8191; 12.7035 90; 90; 120 | 511.57 | Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization CrystEngComm, 2021, 23, 2945-2951 |
| 7203321 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.8906; 5.9706; 10.8708 90; 92.452; 90 | 511.67 | Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate CrystEngComm, 2006, 8, 351 |
| 7200984 | CIF | C5 H12 Cu I N2 S | P -1 | 5.931; 7.71; 11.488 101.668; 95.652; 90.59 | 511.7 | Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand CrystEngComm, 2009, 11, 1615 |
| 7214571 | CIF | Br4 Cu H12 N2 O2 | P -4 21 m | 7.9005; 7.9005; 8.1982 90; 90; 90 | 511.71 | Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498 |
| 7202526 | CIF | C10 H18 O6 | P 1 21/n 1 | 6.5273; 5.9589; 13.166 90; 90.163; 90 | 512.1 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Additive induced polymorphous behavior of a conformationally locked hexol CrystEngComm, 2007, 9, 144 |
| 7210739 | CIF | C11 H8 Cl N3 O | P -1 | 7.2607; 7.3081; 9.6963 95.14; 91.75; 90.494 | 512.163 | Khavasi, Hamid Reza; Tehrani, Alireza Azhdari Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides CrystEngComm, 2013, 15, 3222 |
| 7203794 | CIF | C3 H15 N6 P S | P 63 | 9.1213; 9.1213; 7.1103 90; 90; 120 | 512.31 | Chandrasekhar, Vadapalli; Azhakar, Ramachandran A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3} CrystEngComm, 2005, 7, 346 |
| 7225604 | CIF | C13 H9 F2 N O | P -1 | 5.4519; 7.7415; 12.9335 106.965; 100.535; 90.213 | 512.37 | Mocilac, P.; Osman, I. A.; Gallagher, J. F. Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid CrystEngComm, 2016, 18, 5764 |
| 7244138 | CIF | C9 H8 O7 Y | P -1 | 7.19; 7.578; 9.979 71.83; 83.47; 84.8 | 512.4 | Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity CrystEngComm, 2022, 24, 846-853 |
| 7205257 | CIF | C10 H22 Cd2 N6 O14 | P -1 | 6.5073; 9.4505; 9.567 65.998; 85.229; 72.619 | 512.43 | Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters CrystEngComm, 2011, 13, 1339 |
| 7223291 | CIF | C13 H9 F2 N O | P -1 | 5.4838; 7.7928; 12.6887 106.682; 98.87; 90.157 | 512.57 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7210954 | CIF | C6 H9 Cu2 I2 N2 | P -1 | 4.2896; 10.405; 12.346 110.327; 95.585; 92.3 | 512.66 | Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties CrystEngComm, 2013, 15, 7792 |
| 7225603 | CIF | C13 H9 F2 N O | P -1 | 5.4841; 7.8068; 12.6875 106.756; 98.878; 90.151 | 513.26 | Mocilac, P.; Osman, I. A.; Gallagher, J. F. Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid CrystEngComm, 2016, 18, 5764 |
| 7229439 | CIF | C6 H14 Cl N O6 | P -1 | 5.2863; 5.6138; 17.4559 82.962; 86.746; 88.924 | 513.26 | Rademeyer, Melanie; van der Westhuizen, Belinda Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro CrystEngComm, 2017 |
| 7232452 | CIF | C10 H12 N4 O | P 1 2/c 1 | 11.9283; 6.5439; 6.8123 90; 105.114; 90 | 513.36 | Baudron, Stéphane A.; Chevreau, Hubert Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation CrystEngComm, 2019, 21, 1853 |
| 7225200 | CIF | C11 H12 O4 | P -1 | 7.5522; 8.1546; 8.99 91.546; 111.209; 94.653 | 513.5 | Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V. Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization CrystEngComm, 2016, 18, 4708 |
| 7232129 | CIF | Cl4 Co H14 N4 O2 | P 1 21/c 1 | 7.988; 5.7019; 11.3808 90; 97.745; 90 | 513.63 | 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 |
| 7232752 | CIF | C5 H7 N O | P -1 | 5.8006; 7.8838; 11.355 94.479; 92.173; 96.464 | 513.8 | Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. In situ cryocrystallization and solid-state structures of furfural and some derivatives CrystEngComm, 2019, 21, 3295 |
| 7208871 | CIF | C14 H20.5 N4 O12.25 Zn | P -1 | 7.229; 8.9199; 9.3501 65.68; 88.42; 70.57 | 513.9 | Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties CrystEngComm, 2013, 15, 965 |
| 7210103 | CIF | C6 H8 Cu N10 O2 | P 1 21/n 1 | 7.0989; 9.0946; 8.1688 90; 102.65; 90 | 514.59 | Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries CrystEngComm, 2013, 15, 4830 |
| 7243404 | CIF | C24 H18 N4 O6 | P -1 | 7.0977; 7.7054; 10.1834 79.516; 85.59; 70.03 | 514.64 | 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 |
| 7212104 | CIF | Lu2 O7 Si2 | P 43 21 2 | 6.5621; 6.5621; 11.954 90; 90; 90 | 514.75 | Wang, Chao; Liu, Xiaoyang; Fleet, M. E.; Li, Jixue; Feng, Shouhua; Xu, Ruren; Jin, Zhenmin Helical chain observed under transmission electron microscope: Synthesis and structure refinement of lutetium disilicate Lu2Si2O7 CrystEngComm, 2010, 12, 1617 |
| 7201557 | CIF | C13 H9 F2 N O | P -1 | 5.46; 7.693; 13.038 106.758; 100.371; 90.016 | 515 | Chopra, Deepak; Guru Row, T. N. Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides CrystEngComm, 2008, 10, 54 |
| 7208093 | CIF | C7 H6 O2 | P 1 21/c 1 | 5.077; 4.893; 21.1 90; 100.6; 90 | 515 | Cai, Weizhao; Katrusiak, Andrzej Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid CrystEngComm, 2012, 14, 4420 |
| 7223345 | CIF | C10 H9 N3 O4 | P -1 | 7.9402; 8.1717; 8.8975 70.343; 89.333; 72.343 | 515.42 | Tarai, Arup; Baruah, Jubaraj B. Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis CrystEngComm, 2016, 18, 298 |
| 7201552 | CIF | C13 H10 F N O | P -1 | 5.349; 7.599; 12.945 92.124; 101.179; 90.162 | 515.8 | Chopra, Deepak; Guru Row, T. N. Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides CrystEngComm, 2008, 10, 54 |
| 7214023 | CIF | C8 H7 K O8 | P 1 2/n 1 | 8.6068; 5.5968; 10.716 90; 92.205; 90 | 515.81 | Thuéry, Pierre Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid CrystEngComm, 2014, 16, 1724 |
| 7220596 | CIF | C6 H6 N5 O5 S Zn0.5 | P -1 | 6.6953; 8.7758; 10.028 64.41; 76.36; 82.37 | 516.1 | Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand CrystEngComm, 2015, 17, 5054 |
| 7229687 | CIF | C10 H10 N2 O6 | P -1 | 7.2047; 7.5455; 10.8058 91.8; 100.509; 115.757 | 516.12 | 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 |
| 7245439 | CIF | C18.6 H23 Cu N4 O6.9 | P -1 | 8.0458; 8.4741; 8.6258 84.174; 62.42; 82.413 | 516.18 | Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S. Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers CrystEngComm, 2022 |
| 7206363 | CIF | C18 H26 N6 O10 | P -1 | 7.0986; 7.1127; 10.466 98.291; 92.733; 98.19 | 516.32 | Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M. Exceptions to the rule: new hydrogen-bonded networks from an old reliable CrystEngComm, 2011, 13, 753 |
| 7228813 | CIF | C28 H20 N2 O4 | P -1 | 4.82; 9.353; 11.782 99.589; 99.411; 90.265 | 516.4 | Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative CrystEngComm, 2017 |
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