Crystallography Open Database
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Searching year of publication is 2022
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1568020 | CIF | C30 H15 F2 N3 O6.62 Y1.5 | I 4/m | 17.7478; 17.7478; 25.9278 90; 90; 90 | 8166.85 | Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs Chemical Science, 2022 |
1568034 | CIF | C17 H16 B Br F4 N4 O | P 21 21 21 | 9.7229; 11.8712; 15.4592 90; 90; 90 | 1784.3 | Duan, Zhuan; Young, Claire M.; Zhu, Jiayun; Slawin, Alexandra M. Z.; O'Donoghue, AnnMarie C; Smith, Andrew D. Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes. Chemical science, 2022, 14, 162-170 |
1568035 | CIF | C44 H68 Br6 Mn5 O22 | P -1 | 10.965; 11.6978; 13.6443 111.74; 101.903; 90.098 | 1584.79 | Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst. Chemical science, 2022, 14, 54-60 |
1568036 | CIF | C13 H22 O2 Si | P b c a | 8.0671; 15.0932; 22.4852 90; 90; 90 | 2737.76 | Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst. Chemical science, 2022, 14, 54-60 |
1568037 | CIF | C16 H22 O3 Si2 | P 1 21/n 1 | 12.9559; 10.4977; 28.982 90; 95.735; 90 | 3922 | Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst. Chemical science, 2022, 14, 54-60 |
1568038 | CIF | C22 H12 F3 N | P 1 21/c 1 | 26.91; 6.4608; 9.318 90; 94.442; 90 | 1615.2 | Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy. Analytical methods : advancing methods and applications, 2022, 14, 5081-5090 |
1568039 | CIF | C22 H15 N | P 1 21/c 1 | 17.626; 7.6841; 11.574 90; 100.988; 90 | 1538.8 | Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy. Analytical methods : advancing methods and applications, 2022, 14, 5081-5090 |
1568040 | CIF | C156 H133.5 Cl4.5 F6 N13 O9 | P -1 | 15.6935; 17.9065; 25.3093 102.029; 94.298; 105.192 | 6649.5 | Mirabella, Chiara F. M.; Aragay, Gemma; Ballester, Pablo Influence of the solvent in the self-assembly and binding properties of [1 + 1] tetra-imine bis-calix[4]pyrrole cages. Chemical science, 2022, 14, 186-195 |
1568043 | CIF | C333 H398 Ag30 B3 Cl33 N4 P8 Pt S14 | P -1 | 21.6934; 23.8539; 34.402 96.755; 100.906; 100.248 | 16989.5 | Wang, Silan; Li, Qinzhen; Yang, Sha; Yu, Haizhu; Chai, Jinsong; Zhu, Manzhou H-bond-induced luminescence enhancement in a Pt<sub>1</sub>Ag<sub>30</sub> nanocluster and its application in methanol detection. Nanoscale, 2022, 14, 16647-16654 |
1568060 | CIF | C16 H15 F3 N6 O2 S | P 1 21/n 1 | 11.715; 7.738; 19.834 90; 95.723; 90 | 1789 | Hu, Wei; Zhang, Xiang; Liu, Yuanchang; Liu, Teng; Wen, Jiale; Peng, Xiaopeng; Xie, Xin; Chen, Weiming Two-stage one-pot synthetic strategy for the key triazone-triazole intermediate of ensitrelvir (S-217622), an oral clinical candidate for treating COVID-19 RSC Advances, 2022, 12, 34808-34814 |
1568074 | CIF | C66 H58 F16 S8 | P n a 21 | 34.3683; 28.4432; 5.4447 90; 90; 90 | 5322.44 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
1568075 | CIF | C56 H32 F16 O2 S8 | P -1 | 13.6071; 14.6029; 15.3344 97.914; 98.988; 110.147 | 2764.52 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
1568076 | CIF | C56 H32 F16 S8 | P -1 | 9.5286; 10.3554; 14.25 75.54; 89.177; 73.34 | 1301.9 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
1568077 | CIF | C54 H30 F16 N2 O2 S8 | P 42/n :2 | 19.8473; 19.8473; 13.1934 90; 90; 90 | 5197.08 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
1568078 | CIF | C49 H17 Cl3 F16 S8 | P -1 | 6.7916; 13.818; 15.064 78.57; 81.39; 82.79 | 1363.3 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
1568079 | CIF | C68 H36 F16 N4 S8 | P 1 21/c 1 | 5.89701; 32.2682; 16.4767 90; 95.0947; 90 | 3122.9 | Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12). Chemical science, 2022, 14, 70-77 |
1568136 | CIF | Cu4 Na4.39 O Se4 | I 4/m | 11.232; 11.232; 4.0301 90; 90; 90 | 508.43 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568137 | CIF | Cu11.19 Na10.21 O2 Se10 | C 1 2/m 1 | 15.772; 4.0654; 20.828 90; 110.33; 90 | 1252.3 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568138 | CIF | Cu7.7 Na5.3 O Se6 | C 1 2/m 1 | 15.714; 4.0699; 11.643 90; 93.15; 90 | 743.5 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568139 | CIF | Cu4 Na4.55 O S4 | I 4/m | 10.9081; 10.9081; 3.886 90; 90; 90 | 462.38 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568140 | CIF | Cu3 Na S2 | R -3 m :H | 3.936; 3.936; 22.003 90; 90; 120 | 295.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568141 | CIF | Cu11.4 Na9.74 O2 S10 | P 1 2/c 1 | 20.388; 7.7841; 15.311 90; 110.9; 90 | 2270 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568142 | CIF | Cu7.43 Na5.34 O S6 | C 1 2/m 1 | 15.278; 3.9247; 11.324 90; 91.89; 90 | 678.6 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568143 | CIF | Cu3.52 K4.33 O0.88 Se4 | I 4/m | 12.335; 12.335; 4.433 90; 90; 90 | 674.5 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568144 | CIF | Cu2.78 Na0.84 Se2 | C 1 2/m 1 | 7.0555; 4.0808; 7.9345 90; 108.39; 90 | 216.78 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568145 | CIF | Cu0.59 Li0.42 Na S | P 4/n m m :2 | 3.9745; 3.9745; 6.548 90; 90; 90 | 103.44 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568146 | CIF | Cu0.65 Li0.35 Na Se | P 4/n m m :2 | 4.1307; 4.1307; 6.815 90; 90; 90 | 116.28 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568147 | CIF | Ba Cu1.42 Li0.58 S2 | I 4 m m | 3.9191; 3.9191; 12.677 90; 90; 90 | 194.71 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568148 | CIF | Ba9 Cu13.46 Na4 O8 S12 | I 4/m | 20.247; 20.247; 3.9958 90; 90; 90 | 1638 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568149 | CIF | Ba0.44 Cu2.02 Rb0.56 Se2 | I 4/m m m | 4.0442; 4.0442; 13.357 90; 90; 90 | 218.46 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568150 | CIF | Ba1.89 Cu13.92 Na6 S12 | C 1 2/m 1 | 7.1315; 12.365; 14.892 90; 99.15; 90 | 1296.5 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568151 | CIF | Ba Cu7 K3 S6 | C 1 2/m 1 | 7.2499; 12.4798; 8.3691 90; 106.647; 90 | 725.48 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568152 | CIF | Ba2 Cu2 Na1.24 O1.25 S3 | C 1 2/m 1 | 22.188; 4.2597; 17.111 90; 91.544; 90 | 1616.6 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568153 | CIF | Ba1.89 Cu5.56 O Se4 | P n m a | 19.354; 4.2315; 12.261 90; 90; 90 | 1004.1 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568154 | CIF | Ba2 Cu2.8 O2 Se2 | I 4/m m m | 4.1491; 4.1491; 19.594 90; 90; 90 | 337.31 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568155 | CIF | Ba2 Cu2 Na0.55 O2 Se2 | I 4/m m m | 4.2049; 4.2049; 19.231 90; 90; 90 | 340.03 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568156 | CIF | Ba1.59 Cu1.92 K0.41 O1.86 Se2 | I 4 m m | 4.2047; 4.2047; 19.346 90; 90; 90 | 342.03 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568157 | CIF | Ba2 Cu1.79 O3 S | P 4/n m m :2 | 4.0099; 4.0099; 16.532 90; 90; 90 | 265.82 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568158 | CIF | Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 | P b a m | 7.483; 16.0919; 4.1041 90; 90; 90 | 494.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568159 | CIF | Cu10 K2 Se6 | P 42/m n m | 12.9183; 12.9183; 4.0117 90; 90; 90 | 669.48 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568160 | CIF | Cu6.09 Rb Se4 | I 4/m | 10.561; 10.561; 3.974 90; 90; 90 | 443.24 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568161 | CIF | Ba4 Cu12 Rb6 Se13 | I m -3 | 12.1735; 12.1735; 12.1735 90; 90; 90 | 1804.04 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568162 | CIF | Cu7.66 Na6 Se8 | P b a m | 7.417; 15.192; 3.9244 90; 90; 90 | 442.2 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568163 | CIF | Ba Cu7 K3 S6 | C 1 2/m 1 | 7.2523; 12.4863; 8.3687 90; 106.661; 90 | 726.01 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
1568223 | CIF | Mg P2 Si | I -4 2 d | 5.7156; 5.7156; 10.074 90; 90; 90 | 329.1 | Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning Uncovering a Vital Band Gap Mechanism of Pnictides. Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2022, 9, e2105787 |
1568330 | CIF | Al24 H72 O132 P24 | P 1 1 2 | 23.7976; 13.7337; 8.41344 90; 90; 89.6583 | 2749.71 | Kolokathis, Panagiotis D.; Nonnen, Thomas; Füldner, Gerrit; Papadopoulos, George K. Identification of hydrated phases in ALPO4-5, and explanation of their effect on the water sorption and dynamics Microporous and Mesoporous Materials, 2022, 329, 111501 |
1568977 | CIF | Co Na O P Sr | P 1 21/a 1 | 9.20152; 5.265935; 13.54116 90; 90.0661; 90 | 656.131 | Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A. Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2 Physical Review B, 2022, 106, 054415-1 |
1569287 | CIF | O7 Ti2 Y2 | F d -3 m :2 | 10.1109; 10.1109; 10.1109 90; 90; 90 | 1033.64 | Nishio-Hamae, D.; Momma, K.; Ohnishi, M.; Inaba, S. Oxyyttrobetafite-(Y), Y2Ti2O6O, a new mineral of the pyrochlore supergroup in a pegmatite from Souri Valley, Komono, Mie Prefecture Japan Journal of Mineralogical and Petrological Sciences, 2022, 1-6 |
1570298 | CIF | Ca2 O7 P2 | P -1 | 6.666; 6.722; 6.7374 65.113; 87.7634; 85.0755 | 272.849 | Sauskojus, Wolfgang; Wied, Jan K.; Litterscheid, Christian F.; Mangstl, Martin; Schmedt auf der Günne, Jörn Crystal Structure of γ‐Ca2P2O7 Zeitschrift für anorganische und allgemeine Chemie, 2022, 648 |
1571164 | CIF Paper | C6 H17 Br3 N2 O | P 32 2 1 | 9.5838; 9.5838; 23.227 90; 90; 120 | 1847.56 | Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph. IUCrJ, 2022, 9, 544-550 |
1571165 | CIF | C6 H17 Br3 N2 O | P 3 c 1 | 16.0425; 16.0425; 7.9666 90; 90; 120 | 1775.61 | Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph. IUCrJ, 2022, 9, 544-550 |
2022485 | CIF HKL Paper | C27 H18 Co N2 O8 | P 1 21/c 1 | 11.6652; 20.9692; 11.0438 90; 113.609; 90 | 2475.3 | Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand Acta Crystallographica Section C, 2022, 78 |
2022486 | CIF HKL Paper | C27 H18 N2 Ni O8 | P 1 21/c 1 | 11.6277; 20.8495; 11.0075 90; 113.689; 90 | 2443.7 | Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand Acta Crystallographica Section C, 2022, 78 |
2022487 | CIF HKL Paper | C13 H12 N4 S | P 1 21/c 1 | 7.2214; 6.6059; 25.962 90; 94.233; 90 | 1235.11 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
2022488 | CIF HKL Paper | C15 H16 N4 S | P b c a | 15.8897; 10.9845; 16.8393 90; 90; 90 | 2939.14 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
2022489 | CIF HKL Paper | C51 H45 Cl Cu N5 P2 S | P 1 21/c 1 | 18.7299; 11.1592; 21.6646 90; 96.296; 90 | 4500.8 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
2022490 | CIF HKL Paper | C18 H22 N8 Ni S2 | P 1 21/c 1 | 7.6398; 14.393; 9.7339 90; 107.823; 90 | 1018.97 | Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C, 2022, 78 |
2022491 | CIF HKL Paper | C70 H70 N8 O4 Se2 | P -4 b 2 | 21.507; 21.507; 13.434 90; 90; 90 | 6214 | Malla, Manzoor Ahmad; Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K. Crystal structure, Hirshfeld surface analysis and DFT study of 2,2''-({[(1<i>E</i>,1'<i>E</i>)-(diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one] Acta Crystallographica Section E, 2022, 78, 1-7 |
2022492 | CIF HKL Paper | C17 H26 Cl N O | P 1 21/c 1 | 17.0494; 6.9334; 15.241 90; 108.635; 90 | 1707.19 | Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C, 2022, 78 |
2022493 | CIF HKL Paper | C16 H24 Cl N O | P 1 21/c 1 | 14.0379; 10.3133; 11.4344 90; 96.829; 90 | 1643.7 | Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C, 2022, 78 |
2022494 | CIF HKL Paper | C13 H20 Cl N O | P 1 21/n 1 | 7.1747; 7.8832; 24.9469 90; 93.765; 90 | 1407.94 | Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C, 2022, 78 |
2022495 | CIF HKL Paper | C11 H10 N4 O7 S | P 1 21/n 1 | 9.8459; 10.953; 12.6881 90; 91.524; 90 | 1367.83 | Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals Acta Crystallographica Section C, 2022, 78, 7-13 |
2022496 | CIF HKL Paper | C11 H10 Cl N3 O5 S | P 1 21/n 1 | 7.392; 11.2356; 16.674 90; 101.33; 90 | 1357.8 | Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals Acta Crystallographica Section C, 2022, 78, 7-13 |
2022512 | CIF HKL Paper | C10 H18 N2 O8 | P 1 21 1 | 5.1153; 7.1849; 18.4639 90; 96.817; 90 | 673.8 | Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022513 | CIF HKL Paper | C10 H18 N2 O8 | P 1 21 1 | 5.1153; 7.1849; 18.4639 90; 96.817; 90 | 673.8 | Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022514 | CIF HKL Paper | C54 H55 Cl4 N13 Ni4 O26 | P n a 21 | 23.5976; 11.8723; 22.2989 90; 90; 90 | 6247.2 | Patel, R. N.; Patel, S. K.; Patel, A. K.; Patel, N.; Butcher, Ray J. A tetranuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022515 | CIF HKL Paper | C27 H15 N3 O3 | P 1 21/c 1 | 14.1863; 7.4446; 18.338 90; 90.3606; 90 | 1936.66 | Yu, Hao; Gray, Danielle L.; Woods, Toby J.; Moore, Jeffrey S. Trioxazolo[2^3^]metacyclophane: synthesis, structural analysis, and optical properties Acta Crystallographica Section C, 2022, 78 |
2022516 | CIF Paper | C24 H34 O2 Te | P b c n | 9.3633; 14.2339; 17.7479 90; 90; 90 | 2365.37 | Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts Acta Crystallographica Section C, 2022, 78 |
2022517 | CIF HKL Paper | C31.6 H17.4 Fe N15.8 | P -1 | 11.9972; 12.8711; 13.0907 62.528; 82.929; 77.21 | 1748.47 | Sünkel, Karlheinz; Blockhaus, Tobias Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited. Crystal and molecular structure of <i>cis</i>-[{C~5~(CN)~5~}~2~(MeCN)~4~Fe] Acta Crystallographica Section C, 2022, 78 |
2022518 | CIF HKL Paper | C16 H16 O S | P 21 21 21 | 5.4591; 9.6001; 25.0301 90; 90; 90 | 1311.78 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022519 | CIF HKL Paper | C16 H16 O S | P 21 21 21 | 5.1311; 9.1135; 28.4 90; 90; 90 | 1328.05 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022520 | CIF HKL Paper | C17 H18 O2 S | P 1 21/n 1 | 14.0829; 7.749; 14.6419 90; 116.329; 90 | 1432.09 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022521 | CIF HKL Paper | C17 H18 O2 S | P n a 21 | 18.4026; 10.90882; 7.37881 90; 90; 90 | 1481.3 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022522 | CIF HKL Paper | C17 H18 O2 S | P 1 21/c 1 | 7.22965; 37.4539; 10.85314 90; 90.0541; 90 | 2938.8 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022523 | CIF HKL Paper | C17 H18 O2 S | P 21 21 21 | 5.4341; 13.322; 20.9587 90; 90; 90 | 1517.26 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022524 | CIF HKL Paper | C18 H20 O3 S | P 21 21 21 | 5.3187; 8.3866; 36.019 90; 90; 90 | 1606.66 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022525 | CIF HKL Paper | C18 H20 O3 S | P 1 21/n 1 | 10.927; 7.2754; 40.2818 90; 93.094; 90 | 3197.7 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022526 | CIF HKL Paper | C18 H20 O3 S | P 1 21/n 1 | 12.252; 7.0563; 19.1866 90; 100.261; 90 | 1632.22 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes Acta Crystallographica Section C, 2022, 78 |
2022527 | CIF HKL Paper | C25 H26 O13 | P 1 21 1 | 13.88124; 15.36081; 5.59335 90; 94.9763; 90 | 1188.16 | Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N. Cynarine monohydrate from synchrotron powder X-ray diffraction data Acta Crystallographica Section C, 2022, 78 |
2022528 | CIF Paper | C25 H26 O13 | P 1 21 1 | 13.8811; 15.3608; 5.5934 90; 94.98; 90 | 1188.15 | Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N. Cynarine monohydrate from synchrotron powder X-ray diffraction data Acta Crystallographica Section C, 2022, 78 |
2022529 | CIF HKL Paper | C11 H10 Br N O3 | P -1 | 9.8671; 10.6765; 11.8719 85.77; 86.907; 63.586 | 1116.73 | Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex Acta Crystallographica Section C, 2022, 78 |
2022530 | CIF HKL Paper | C19 H23 Br N2 O8 Zn2 | P -1 | 8.03; 10.1184; 14.4723 87.217; 89.232; 83.518 | 1166.95 | Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex Acta Crystallographica Section C, 2022, 78 |
2022531 | CIF HKL Paper | C16 H13 Gd N3 O8 | F d d d :2 | 17.9185; 18.0874; 26.5146 90; 90; 90 | 8593.4 | Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure Acta Crystallographica Section C, 2022, 78 |
2022532 | CIF HKL Paper | C38 H64 Mo N2 O6 | P 1 21/n 1 | 18.4889; 10.9722; 19.1517 90; 94.035; 90 | 3875.6 | Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022533 | CIF | C26 H32 Mo N4 O6 | P -1 | 9.601; 12.86; 21.428 91.44; 91.49; 93.22 | 2639.68 | Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022534 | CIF HKL Paper | C11 H19 Cl N4 Ni O2 | C m c e | 14.3402; 14.2577; 13.1777 90; 90; 90 | 2694.3 | Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A. Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022535 | CIF HKL Paper | C36 H48 K2 O4 V | P 1 21/c 1 | 10.985; 17.243; 18.532 90; 101.014; 90 | 3445.6 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
2022536 | CIF HKL Paper | C48 H76 K N2 O7 P2 V | P 1 2 1 | 10.3028; 8.6409; 14.5778 90; 108.835; 90 | 1228.3 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
2022537 | CIF HKL Paper | C104 H136 K2 O18 V2 | P -1 | 9.1729; 9.3501; 27.928 89.695; 88.67; 83.918 | 2381.2 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
2022538 | CIF HKL Paper | C55 H77 K O9 P V | P -1 | 9.6431; 14.4883; 20.804 74.992; 84.667; 71.815 | 2667 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
2022539 | CIF HKL Paper | C50 H76 K O8 P2 V | P -1 | 12.4421; 13.9771; 15.1934 97.35; 93.436; 101.178 | 2561 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
2022540 | CIF HKL Paper | C40 H44 Na O3 V2 | P -1 | 10.9951; 12.0777; 13.502 78.594; 68.517; 78.738 | 1620.6 | Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C, 2022, 78 |
2022541 | CIF Paper | C54 H42 Cu3 N12 O12 | I a -3 | 22.27; 22.27; 22.27 90; 90; 90 | 11045 | Chen, Hui-Ru Synthesis, crystal structure and photocatalytic properties of a three-dimensional copper(II) metal–organic framework based on 1,3,5-tris(2-methylimidazol-1-yl)benzene Acta Crystallographica Section C, 2022, 78 |
2022542 | CIF HKL Paper | C14 H14 N4 O5 | P 21 21 21 | 5.3043; 11.1405; 22.6067 90; 90; 90 | 1335.89 | Budow-Busse, Simone; Jana, Sunit K.; Kondhare, Dasharath; Daniliuc, Constantin; Seela, Frank 8-Furylimidazolo-2'-deoxycytidine: crystal structure, packing, atropisomerism and fluorescence Acta Crystallographica Section C, 2022, 78 |
2022543 | CIF HKL Paper | C26 H32 N2 O8 | P -1 | 8.697; 9.203; 15.916 75.369; 82.049; 89.151 | 1220.5 | Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C, 2022, 78 |
2022544 | CIF HKL Paper | C24 H28 N2 O7 | P b c a | 16.208; 14.849; 18.052 90; 90; 90 | 4345 | Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C, 2022, 78 |
2022545 | CIF HKL Paper | C24 H28 N2 O7 | P 1 21 1 | 7.6238; 23.318; 12.655 90; 100.677; 90 | 2210.8 | Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C, 2022, 78 |
2022546 | CIF HKL Paper | C20 H32 Ag B F4 N8 S2 | P -1 | 10.1813; 10.2237; 15.0154 73.446; 82.398; 61.781 | 1320.11 | Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C, 2022, 78 |
2022547 | CIF HKL Paper | C13 H20 Ag N5 S2 | P -1 | 8.4426; 8.5739; 11.8497 96.585; 99.023; 95.313 | 836.19 | Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C, 2022, 78 |
2022548 | CIF HKL Paper | C19 H32 Ag2 B F4 N5 S5 | C 1 2/c 1 | 28.537; 8.4362; 27.216 90; 119.94; 90 | 5677.7 | Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C, 2022, 78 |
2022549 | CIF HKL Paper | C19 H14 N3 | P 1 21/n 1 | 10.4887; 6.9632; 19.8755 90; 99.441; 90 | 1431.94 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022550 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.416; 6.8137; 19.69 90; 99.691; 90 | 1377.49 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022551 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.3807; 6.743; 19.605 90; 99.757; 90 | 1352.4 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022552 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.3374; 6.629; 19.466 90; 99.78; 90 | 1314.6 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022553 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.3045; 6.5805; 19.408 90; 99.823; 90 | 1296.74 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022554 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.276; 6.5173; 19.3323 90; 99.826; 90 | 1275.73 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022555 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.2411; 6.4507; 19.247 90; 99.913; 90 | 1252.5 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022556 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.2225; 6.4019; 19.203 90; 99.864; 90 | 1238.1 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022557 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.1831; 6.3399; 19.111 90; 99.868; 90 | 1215.5 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022558 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.1864; 6.3323; 19.118 90; 99.822; 90 | 1215.1 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022559 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.1302; 6.2215; 18.955 90; 99.899; 90 | 1176.85 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022560 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0953; 6.1527; 18.8502 90; 99.934; 90 | 1153.29 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022561 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0607; 6.0918; 18.733 90; 99.951; 90 | 1130.8 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022562 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0326; 6.0553; 18.571 90; 100.029; 90 | 1111 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022563 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0002; 6.0842; 18.352 90; 100.026; 90 | 1099.54 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022564 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 9.9832; 6.0752; 18.29 90; 100.005; 90 | 1092.4 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022565 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 9.9663; 6.0642; 18.252 90; 100.025; 90 | 1086.3 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
2022566 | CIF HKL Paper | C11 H10 N2 O4 S | P 1 21/n 1 | 11.039; 6.7554; 15.6951 90; 91.905; 90 | 1169.78 | Shahbaz, Muhammad; Khan, Umair Ahmed; Chaudhary, M. Iqbal; Yousuf, Sammer A new bioactive cocrystal of coumarin-3-carboxylic acid and thiourea: detailed structural features and biological activity studies Acta Crystallographica Section C, 2022, 78 |
2022579 | CIF HKL Paper | C20 H20 N2 O4 | P 1 21/n 1 | 4.6003; 6.2969; 30.726 90; 90.886; 90 | 889.95 | Yeşilbağ, Semanur; Çınar, Emine Berrin; Dege, Necmi; Ağar, Erbil; Saif, Eiad Crystal structure and Hirshfeld surface analysis of dimethyl 3,3′-{[(1E,2E)-ethane-1,2-diylidene]bis(azanylylidene)}bis(4-methylbenzoate) Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022580 | CIF HKL Paper | C12 H34 Co2 N6 O17 | P -1 | 8.606; 12.153; 13.562 77.48; 74.393; 72.198 | 1286.6 | Gallagher, Megan K.; Baker, Jonathan; Black, Robert; Oliver, Allen G.; Lappin, A. Graham An X-ray investigation of stereoselectivity in the interactions of [Co(en)3]3+ with [Co(ox)3]3− (en is ethane-1,2-diamine and ox is oxalate) Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022581 | CIF HKL Paper | C78 H64 N6 O14 Zn3 | P -1 | 11.0968; 12.8319; 13.3134 111.703; 108.028; 93.125 | 1643.97 | Mbani O., Armel L.; Bonnand, Evan F.; Paboudam, Awawou G.; Brannon, Jacob P.; Gardner-Ricossa, Kevyn D.; Stieber, S. Chantal E.; Agwara, Moise O. Synthesis, structural analysis, and docking studies with SARS-CoV-2 of a trinuclear zinc complex with <i>N</i>-phenylanthranilic acid ligands Acta Crystallographica Section C, 2022, 78 |
2022582 | CIF HKL Paper | C25 H30 N6 O4 | P 1 21/c 1 | 9.94703; 17.8262; 14.31 90; 92.0063; 90 | 2535.86 | Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C, 2022, 78 |
2022583 | CIF HKL Paper | C26 H32 N6 O4 | P 1 21/c 1 | 9.7816; 18.3758; 14.1998 90; 91.029; 90 | 2551.93 | Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C, 2022, 78 |
2022584 | CIF HKL Paper | C27 H34 N6 O4 | P 1 21/c 1 | 9.76826; 18.481; 14.42279 90; 90.7205; 90 | 2603.5 | Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C, 2022, 78 |
2022585 | CIF HKL Paper | C28 H36 N6 O4 | P 1 21/c 1 | 9.77352; 19.3316; 14.3425 90; 90.3045; 90 | 2709.8 | Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C, 2022, 78 |
2022586 | CIF HKL Paper | C28 H36 N6 O5 | P 1 21/c 1 | 10.25267; 19.21448; 14.29015 90; 90.1353; 90 | 2815.15 | Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C, 2022, 78 |
2022587 | CIF HKL Paper | C25 H27 Cl3 N6 O3 | P 1 21/c 1 | 10.0422; 18.3553; 14.4134 90; 91.5895; 90 | 2655.77 | Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C, 2022, 78 |
2022588 | CIF HKL Paper | C26 H29 N7 O3 | P 1 21/c 1 | 9.92522; 17.86566; 14.34306 90; 91.437; 90 | 2542.52 | Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C, 2022, 78 |
2022589 | CIF HKL Paper | C58 H76 N6 S3 | P 1 21/c 1 | 26.461; 21.2115; 9.2552 90; 90.044; 90 | 5194.73 | Li, Gongchun; Wang, Wei; Zhan, Chun; Xiao, Shengqiang Synthesis and properties of a novel decacyclic <i>S</i>,<i>N</i>-heteroacene Acta Crystallographica Section C, 2022, 78 |
2022590 | CIF HKL Paper | C12 H16 O4 | P 21 21 21 | 4.9935; 7.1864; 33.3673 90; 90; 90 | 1197.4 | Zhang, Qun-Zheng; Zhong, Zhen-Hua; Hao, Ding; Feng, Ming-Nan; Wang, Si-Chang; Han, Qi-Long; Bai, Yajun; Xu, Danni; Liao, Sha; Xiao, Chaoni; Zhang, Xun-Li; Zheng, Xiaohui Synthesis, crystal structure and bioactivities of α-asaronol Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022591 | CIF Paper | Ca10.974 O27.64 P6.012 | P 1 | 9.449; 9.449; 6.908 90; 90; 120 | 534.14 | Arnold, Emily L.; Keeble, Dean S.; Evans, J. P. O.; Greenwood, Charlene; Rogers, Keith D. Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite Acta Crystallographica Section C, 2022, 78 |
2022592 | CIF Paper | C16 H15 N3 O3 | P -1 | 10.0118; 11.8026; 13.6496 65.234; 73.354; 78.437 | 1397.18 | González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam Acta Crystallographica Section C, 2022, 78 |
2022593 | CIF Paper | C16 H18 N2 O4 | P c a 21 | 13.6888; 11.037; 9.6269 90; 90; 90 | 1454.46 | González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam Acta Crystallographica Section C, 2022, 78 |
2022594 | CIF HKL Paper | Cu Na2 Ni O8 P2 | P 1 21/n 1 | 5.13; 8.6729; 6.8473 90; 97.104; 90 | 302.311 | Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V. Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures Acta Crystallographica Section C, 2022, 78 |
2022595 | CIF HKL Paper | Cu Mn2 O8 P2 | P -1 | 4.8292; 5.4051; 6.5968 72.716; 86.579; 69.064 | 153.35 | Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V. Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures Acta Crystallographica Section C, 2022, 78 |
2022596 | CIF HKL Paper | C24 H588 Ce6 Mo124 N4 Na4 O664 | C 1 2/c 1 | 54.272; 38.896; 31.734 90; 112.145; 90 | 62048 | Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O Acta Crystallographica Section C, 2022, 78 |
2022597 | CIF Paper | C4 H10 Ce Cl O9 | P 1 21 1 | 5.9097; 7.7974; 11.7206 90; 97.816; 90 | 535.07 | Belhouas, Ratiba; Trifa, Chahrazed; Bouacida, Sofiane; Benmerad, Belkacem; Souici, Abdel Hafid; Boudaren, Chaouki; Merazig, Hocine A new chiral rare-earth organic framework constructed by tartaric acid: synthesis, structural, thermal investigations and optical properties Acta Crystallographica Section C, 2022, 78, 314-321 |
2022598 | CIF HKL Paper | C41.5 H35 F6 N6 O2.5 P2 Ru S | P -1 | 9.3699; 15.3897; 16.0267 92.6869; 105.154; 100.015 | 2186.3 | Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022599 | CIF HKL Paper | C33 H23 N9 Ru S2 | P 1 21/c 1 | 12.6556; 14.0986; 17.4421 90; 108.535; 90 | 2950.7 | Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022600 | CIF HKL Paper | C3 H5 Cl O3 | P 1 21/c 1 | 10.8897; 10.6951; 9.0496 90; 108.059; 90 | 1002.05 | Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E. Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>' Acta Crystallographica Section C, 2022, 78, 257-264 |
2022601 | CIF HKL Paper | C3 H5 Br O3 | P 1 21/c 1 | 11.3076; 10.8912; 9.0769 90; 106.673; 90 | 1070.85 | Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E. Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>' Acta Crystallographica Section C, 2022, 78, 257-264 |
2022602 | CIF HKL Paper | C3 H5 I O3 | P 1 21/c 1 | 11.4762; 5.437; 9.1941 90; 92.848; 90 | 572.97 | Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E. Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>' Acta Crystallographica Section C, 2022, 78, 257-264 |
2022603 | CIF HKL Paper | C11 H17 Cl N2 O2 | P b c a | 8.77; 11.658; 23.843 90; 90; 90 | 2437.7 | van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene Acta Crystallographica Section C, 2022, 78 |
2022604 | CIF HKL Paper | C11 H17 Br N2 O2 | P b c a | 8.859; 12.038; 23.805 90; 90; 90 | 2538.7 | van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene Acta Crystallographica Section C, 2022, 78 |
2022605 | CIF HKL Paper | C14 H19 Br F2 I N2 O3 | P 1 21/c 1 | 12.9151; 11.3061; 12.5239 90; 90.6281; 90 | 1828.62 | van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene Acta Crystallographica Section C, 2022, 78 |
2022606 | CIF HKL Paper | C18 H28 N4 O2 | P b c a | 6.9163; 12.5609; 19.9264 90; 90; 90 | 1731.11 | Ranaweera, Samantha A.; Bruno, Donnadieu; Henry, W. P.; White, Mark. G. Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination Acta Crystallographica Section C, 2022, 78 |
2022607 | CIF HKL Paper | C18 H14 Cl4 N2 O | P 1 21/c 1 | 7.1902; 18.5341; 14.2507 90; 102.814; 90 | 1851.81 | Kaspiaruk, Hanna; Checińska, Lilianna A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate Acta Crystallographica Section C, 2022, 78 |
2022608 | CIF HKL Paper | C20 H20 Cl4 N2 O2 | P -1 | 8.0766; 11.5926; 13.0383 115.423; 99.068; 94.776 | 1073.06 | Kaspiaruk, Hanna; Checińska, Lilianna A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate Acta Crystallographica Section C, 2022, 78 |
2022609 | CIF HKL Paper | C18 H15 Cl4 N2 O1.5 | P 1 21/c 1 | 8.063; 33.261; 16.5481 90; 117.864; 90 | 3923.4 | Kaspiaruk, Hanna; Checińska, Lilianna A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate Acta Crystallographica Section C, 2022, 78 |
2022610 | CIF HKL Paper | C28 H20 O5 P Re | P -1 | 9.9301; 10.1686; 12.7882 80.948; 71.899; 88.682 | 1211.6 | Schutte-Smith, Marietjie; Visser, Hendrik Gideon Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)] Acta Crystallographica Section C, 2022, 78 |
2022611 | CIF HKL Paper | C28 H17 Br3 O5 P Re | P -1 | 8.5413; 8.7024; 20.376 102.221; 93.891; 109.093 | 1383.3 | Schutte-Smith, Marietjie; Visser, Hendrik Gideon Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)] Acta Crystallographica Section C, 2022, 78 |
2022612 | CIF HKL Paper | C18 H15 Ag Cl3 F3 N2 O7 S | P 1 21/n 1 | 14.987; 10.835; 15.997 90; 100.49; 90 | 2554.2 | Jo, Seong Min; Noh, Tae Hwan Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane Acta Crystallographica Section C, 2022, 78 |
2022613 | CIF HKL Paper | C17 H14 Ag F3 N2 O7 S | P 1 21/c 1 | 8.4347; 15.5581; 14.9879 90; 100.31; 90 | 1935.07 | Jo, Seong Min; Noh, Tae Hwan Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane Acta Crystallographica Section C, 2022, 78 |
2022614 | CIF HKL Paper | C20 H28 Cl O2.5 | P 31 2 1 | 10.5989; 10.5989; 28.4478 90; 90; 120 | 2767.58 | Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C, 2022, 78, 305-313 |
2022615 | CIF HKL Paper | C20 H27 Cl O2 | P 1 21 1 | 10.8409; 10.225; 16.4751 90; 93.759; 90 | 1822.31 | Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C, 2022, 78, 305-313 |
2022616 | CIF HKL Paper | C42 H60 Cl2 O7 | P 43 21 2 | 10.70311; 10.70311; 68.7275 90; 90; 90 | 7873.19 | Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C, 2022, 78, 305-313 |
2022617 | CIF HKL Paper | C42 H57 Cl2 F3 O5 | P 21 21 21 | 10.3088; 12.9337; 29.6661 90; 90; 90 | 3955.41 | Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C, 2022, 78, 305-313 |
2022618 | CIF HKL Paper | C56 H70 Ho4 N4 O33 | P 1 21/n 1 | 9.0957; 17.4571; 11.5422 90; 95.107; 90 | 1825.45 | Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence Acta Crystallographica Section C, 2022, 78 |
2022619 | CIF HKL Paper | C64 H82 Eu4 N6 O32 | P 1 21/n 1 | 9.3197; 17.6285; 11.2707 90; 94.131; 90 | 1846.88 | Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence Acta Crystallographica Section C, 2022, 78 |
2022620 | CIF HKL Paper | C17 H20 N4 O5 | P 21 21 21 | 7.2057; 11.0792; 41.2346 90; 90; 90 | 3291.9 | Mei, Hui; Budow-Busse, Simone; Kondhare, Dasharath; Eickmeier, Henning; Reuter, Hans; Seela, Frank The 2'-deoxyribofuranoside of 3-phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazin-7-one: a bicyclic nucleoside with sugar residues in <i>N</i> and <i>S</i> conformations, and its molecular recognition Acta Crystallographica Section C, 2022, 78 |
2022621 | CIF HKL Paper | C10 H9 N O S2 | P 1 c 1 | 4.9916; 10.8497; 10.0075 90; 98.411; 90 | 536.15 | Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of <i>N</i>-(thiophen-2-ylmethyl)thiophene-2-carboxamide Acta Crystallographica Section C, 2022, 78 |
2022622 | CIF HKL Paper | C29 H39 N5 O22 | C 1 c 1 | 9.4539; 29.9892; 13.1934 90; 106.454; 90 | 3587.3 | Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids Acta Crystallographica Section C, 2022, 78 |
2022623 | CIF HKL Paper | C8 H7 N7 O7 | P 1 21/c 1 | 6.2591; 11.1312; 17.2257 90; 98.646; 90 | 1186.5 | Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids Acta Crystallographica Section C, 2022, 78 |
2022624 | CIF HKL Paper | C14 H14 Cl N3 O4 | P c a 21 | 23.7648; 8.5785; 6.9373 90; 90; 90 | 1414.28 | Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties Acta Crystallographica Section C, 2022, 78 |
2022625 | CIF HKL Paper | C28 H20 B2 Cu3 F8 N6 O6 | P b c n | 21.9637; 12.4106; 11.5844 90; 90; 90 | 3157.71 | Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties Acta Crystallographica Section C, 2022, 78 |
2022626 | CIF HKL Paper | C13 H9 I N2 O2 | P 1 21/n 1 | 9.4503; 12.7805; 10.9605 90; 100.687; 90 | 1300.84 | Bosch, Eric; Bowling, Nathan P. Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides Acta Crystallographica Section C, 2022, 78 |
2022627 | CIF HKL Paper | C13 H9 I N2 O2 | P 1 21/n 1 | 10.4088; 5.32; 23.5462 90; 91.606; 90 | 1303.35 | Bosch, Eric; Bowling, Nathan P. Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides Acta Crystallographica Section C, 2022, 78 |
2022628 | CIF HKL Paper | C13 H9 Br N2 O2 | P 1 21/n 1 | 10.2264; 5.3123; 23.281 90; 92.048; 90 | 1263.9 | Bosch, Eric; Bowling, Nathan P. Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides Acta Crystallographica Section C, 2022, 78 |
2022629 | CIF HKL Paper | C19 H13 Br N2 O | P n a 21 | 15.58979; 10.33883; 9.91195 90; 90; 90 | 1597.61 | Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 2-(4-bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022645 | CIF HKL Paper | C12 H12 Fe N8 | P -1 | 7.7235; 9.4051; 10.5846 112.585; 102.828; 92.852 | 684.36 | Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)] Acta Crystallographica Section C, 2022, 78 |
2022646 | CIF HKL Paper | C12 H12 Fe N8 | P 1 21/c 1 | 7.4901; 18.3242; 10.6219 90; 110.017; 90 | 1369.79 | Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)] Acta Crystallographica Section C, 2022, 78 |
2022647 | CIF HKL Paper | C4 H8 Br N3 O | P 1 21/n 1 | 8.7252; 7.7772; 10.7406 90; 97.969; 90 | 721.79 | Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section C, 2022, 78 |
2022648 | CIF HKL Paper | C11 H14 N4 O3 | P 1 21 1 | 7.9887; 6.6098; 11.4753 90; 102.08; 90 | 592.52 | Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section C, 2022, 78 |
2022649 | CIF HKL Paper | C11 H11 N5 O7 | P 1 21/c 1 | 5.4175; 22.634; 11.3668 90; 98.696; 90 | 1377.8 | Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section C, 2022, 78 |
2022650 | CIF HKL Paper | C21 H15 Br N4 O2 S | P -1 | 5.781; 12.717; 14.655 67.751; 78.78; 82.94 | 976.7 | Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022651 | CIF HKL Paper | C24 H20 N4 O4 S | P 1 21/n 1 | 10.919; 8.0871; 24.875 90; 96.65; 90 | 2181.8 | Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022652 | CIF HKL Paper | Cd Ge2 Li4 S7 | C 1 c 1 | 16.8354; 6.787; 10.1499 90; 93.71; 90 | 1157.32 | Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A. Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite Acta Crystallographica Section C, 2022, 78 |
2022653 | CIF HKL Paper | C16 H17 N O4 | P 1 21/c 1 | 6.7134; 15.9685; 13.3879 90; 93.999; 90 | 1431.73 | Çakmak, Şükriye; Aycan, Tuğba; Öztürk, Filiz; Veyisoğlu, Aysel Design, synthesis and spectroscopic and structural characterization of novel <i>N</i>-(2-hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide: DFT, Hirshfeld surface analysis, antimicrobial activity, molecular docking and toxicology Acta Crystallographica Section C, 2022, 78 |
2022654 | CIF HKL Paper | C19 H15 Cd N2 O4 | P 1 21/n 1 | 12.5769; 7.5529; 18.5933 90; 99.863; 90 | 1740.11 | Shen, Hong A new two-dimensional cadmium(II) coordination polymer based on the asymmetric dicarboxylic acid homophthalic acid: synthesis, structure and properties Acta Crystallographica Section C, 2022, 78 |
2022655 | CIF HKL Paper | C14 H32 Cl6 Fe2 N4 | C 1 2/c 1 | 20.3512; 6.4815; 18.049 90; 100.452; 90 | 2341.3 | DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section C, 2022, 78, 507-514 |
2022656 | CIF HKL Paper | C15 H36 Cl3 Fe N4 O | P 1 21/c 1 | 8.1632; 20.847; 12.1387 90; 95.024; 90 | 2057.8 | DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section C, 2022, 78, 507-514 |
2022657 | CIF HKL Paper | C14 H32 Cl3 Fe N4 | P b c n | 9.2912; 11.9579; 17.267 90; 90; 90 | 1918.4 | DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section C, 2022, 78, 507-514 |
2022660 | CIF HKL Paper | C6 H10 N2 | P n m a | 11.205; 6.687; 8.373 90; 90; 90 | 627.4 | van Terwingen, Steven; Englert, Ulli Trimethylpyrazole: a simple heterocycle reflecting Kitaigorodskii's packing principle Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022661 | CIF HKL Paper | C15 H23 N3 O3 S | P 1 21/n 1 | 6.1202; 25.213; 10.5669 90; 106.403; 90 | 1564.2 | Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C, 2022, 78 |
2022662 | CIF HKL Paper | C14 H21 N3 O4 S | P -1 | 8.504; 12.229; 15.834 102.194; 91.589; 95.875 | 1599 | Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C, 2022, 78 |
2022663 | CIF HKL Paper | C14 H23 N3 O5 S | P 1 21/c 1 | 8.2022; 6.3857; 34.166 90; 110.022; 90 | 1681.35 | Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C, 2022, 78 |
2022664 | CIF HKL Paper | C14 H21 N3 O3 S2 | P -1 | 6.2286; 8.5209; 16.2157 84.881; 79.671; 84.66 | 840.68 | Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C, 2022, 78 |
2022665 | CIF HKL Paper | C20 H26 N4 O3 S | P -1 | 8.4423; 12.0126; 20.3063 100.315; 96.533; 95.678 | 1997.85 | Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C, 2022, 78 |
2022666 | CIF HKL Paper | C17 H18 N4 O3 S | P 1 21/c 1 | 11.0524; 19.127; 8.8414 90; 107.131; 90 | 1786.1 | Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C, 2022, 78 |
2022667 | CIF HKL Paper | C18 H14 F N | P 1 21/c 1 | 13.5921; 12.7103; 7.6215 90; 103.133; 90 | 1282.25 | Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone Acta Crystallographica Section C, 2022, 78 |
2022668 | CIF HKL Paper | C19 H14 F3 N | C 1 2/c 1 | 17.2696; 10.8096; 16.1495 90; 91.44; 90 | 3013.8 | Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone Acta Crystallographica Section C, 2022, 78 |
2022669 | CIF HKL Paper | C18 H13 Cl2 N | C 1 2/c 1 | 30.5651; 3.8629; 25.5357 90; 110.497; 90 | 2824.1 | Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone Acta Crystallographica Section C, 2022, 78 |
2022670 | CIF HKL Paper | C10 H18 O5 S | P 21 21 21 | 6.72815; 11.24661; 15.51195 90; 90; 90 | 1173.77 | Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid Acta Crystallographica Section C, 2022, 78 |
2022671 | CIF HKL Paper | C10 H18 O5 S | P 21 21 21 | 6.72595; 11.23408; 15.51954 90; 90; 90 | 1172.65 | Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid Acta Crystallographica Section C, 2022, 78 |
2022672 | CIF HKL Paper | C17 H18 N4 O3 | P -1 | 6.8722; 11.0502; 11.209 65.618; 89.798; 87.085 | 774.14 | Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates Acta Crystallographica Section C, 2022, 78, 559-569 |
2022673 | CIF HKL Paper | C18 H17 N3 O4 | P 1 21/c 1 | 17.4344; 13.08; 7.0192 90; 92.315; 90 | 1599.37 | Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates Acta Crystallographica Section C, 2022, 78, 559-569 |
2022674 | CIF HKL Paper | C22 H23 N3 O6 | P -1 | 8.679; 8.751; 15.137 92.24; 106.06; 109.46 | 1030.7 | Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates Acta Crystallographica Section C, 2022, 78, 559-569 |
2022675 | CIF HKL Paper | C6 H3 I2 N O2 | P 1 21/m 1 | 4.181; 15.0336; 6.797 90; 96.506; 90 | 424.48 | Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D. A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene Acta Crystallographica Section C, 2022, 78, 552-558 |
2022676 | CIF HKL Paper | C6 H3 Br2 N O2 | P 1 21/m 1 | 3.9721; 14.164; 6.7971 90; 96.486; 90 | 379.96 | Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D. A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene Acta Crystallographica Section C, 2022, 78, 552-558 |
2022677 | CIF HKL Paper | C6 H3 Cl2 N O2 | P 1 21/m 1 | 3.8115; 13.6452; 6.8976 90; 94.632; 90 | 357.56 | Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D. A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene Acta Crystallographica Section C, 2022, 78, 552-558 |
2022678 | CIF HKL Paper | C15 H8 Cl2 F6 N4 O S | P b c a | 9.935; 17.5133; 21.4662 90; 90; 90 | 3735 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Sunil Kumar, Yelekere C.; Shreenivas, Mellekatte T.; Srinivasa, Gejjelegere R.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022679 | CIF HKL Paper | Ir2 S3 | P b c n | 8.4728; 6.01563; 6.1537 90; 90; 90 | 313.649 | Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022680 | CIF HKL Paper | Rh2 S3 | P b c n | 8.4672; 5.98537; 6.13921 90; 90; 90 | 311.131 | Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022681 | CIF HKL Paper | C16 H12 O7 | P 1 21/c 1 | 7.4465; 8.0745; 23.16 90; 94.31; 90 | 1388.6 | An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions Acta Crystallographica Section C, 2022, 78 |
2022682 | CIF HKL Paper | C28 H20 Cd N4 O7 | P 1 21/n 1 | 10.1105; 12.0603; 21.2013 90; 103.067; 90 | 2518.3 | An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions Acta Crystallographica Section C, 2022, 78 |
2022683 | CIF HKL Paper | C18 H26 O6 | P 1 | 9.4726; 10.3; 15.3583 73.378; 88.382; 86.4 | 1432.94 | Mohammed, Adnan I.; Bhadbhade, Mohan M.; Read, Roger W. 3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-mannitol: a study of multiple weak hydrogen bonds in the solid state Acta Crystallographica Section C, 2022, 78 |
2022684 | CIF HKL Paper | C10 H4.04 Br5.96 Fe | P -1 | 7.0903; 7.4318; 13.8071 88.745; 84.993; 77.728 | 708.21 | Blockhaus, Tobias; Sünkel, Karlheinz Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe] Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022685 | CIF HKL Paper | C10 H2 Br8 Fe | P -1 | 6.9395; 7.0548; 8.9271 67.577; 76.16; 86.461 | 392.06 | Blockhaus, Tobias; Sünkel, Karlheinz Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe] Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022686 | CIF HKL Paper | C10 Br10 Fe Hg | P 1 21/n 1 | 8.9784; 14.0971; 15.8485 90; 90.689; 90 | 2005.79 | Blockhaus, Tobias; Sünkel, Karlheinz Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe] Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022687 | CIF HKL Paper | C22 H31 N | P -1 | 9.623; 10.13; 10.151 104.686; 103.935; 98.024 | 907.6 | Gupta, Sakuntala; Das, Partha Pratim; Crispini, Alessandra; Scarpelli, Francesca; Borbone, Fabio; Centore, Roberto Crystal and mesophase structure of a bicyclohexyl cyano mesogen Acta Crystallographica Section C, 2022, 78 |
2022688 | CIF HKL Paper | C48 H42 Cl6 Cu F6 N2 O P3 | P 1 21/c 1 | 15.0438; 13.42; 25.3937 90; 100.933; 90 | 5033.6 | Kong, Yu-Jie; Wang, Jian-Teng; Song, Li A new heteroleptic cuprous polymer constructed by a cyanopyridine ligand exhibiting a supramolecular framework structure and luminescence Acta Crystallographica Section C, 2022, 78 |
2022689 | CIF HKL Paper | C8 H11 B F4 O | P n m a | 9.7906; 9.6859; 9.8673 90; 90; 90 | 935.72 | Mandal, Koushik; Sarkar, Sounak; Ghosh, Peuli; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate Acta Crystallographica Section C, 2022, 78 |
2022690 | CIF HKL Paper | C24 H21 B Br P | P -1 | 9.492; 10.0234; 12.0606 81.515; 74.038; 67.798 | 1020.21 | Allen, Caleb J.; Olden, Alex M.; Yates, James L.; Wheeler, Kraig A.; Abbey, Eric R. Synthesis, crystal structure and Hirshfeld analysis of triphenylphosphine–(4-bromophenyl)borane Acta Crystallographica Section C, 2022, 78 |
2022691 | CIF HKL Paper | C8 H10 N2 O8 | P 1 21/c 1 | 14.7026; 8.5449; 16.9929 90; 92.8; 90 | 2132.31 | Boutebdja, Mehdi; Benarous, Nesrine; Boulkedid, Ahlem Linda; Lehleh, Asma; Beghidja, Adel A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022692 | CIF HKL Paper | C22 H29 B10 N | P 1 21/c 1 | 13.0128; 27.1423; 13.9114 90; 109.485; 90 | 4632.07 | Milewski, Max; Caminade, Anne-Marie; Hey-Hawkins, Evamarie; Lönnecke, Peter Pitfalls of a structure determination: The structure of closo-9-[4-(dibenzylamino)phenyl]-1,2-dicarbadodecaborane(12) Acta Crystallographica Section E Crystallographic Communications, 2022, 78 |
2022693 | CIF HKL Paper | C19 H24 F N3 O5 | P 21 21 21 | 7.1687; 10.6689; 23.4887 90; 90; 90 | 1796.47 | Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate Acta Crystallographica Section C, 2022, 78 |
2022694 | CIF HKL Paper | C19 H24 F N3 O5 | P 21 21 21 | 7.1815; 10.684; 23.5104 90; 90; 90 | 1803.89 | Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate Acta Crystallographica Section C, 2022, 78 |
2022695 | CIF Paper | C8 H4 I2 N2 S | P b c a | 11.0392; 8.1756; 23.3673 90; 90; 90 | 2108.95 | De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C, 2022, 78 |
2022696 | CIF HKL Paper | C8 H4 Br2 N2 Se | P b c a | 11.1945; 7.1006; 25.4725 90; 90; 90 | 2024.75 | De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C, 2022, 78 |
2022697 | CIF HKL Paper | C8 H4 Br I N2 Se | P b c a | 11.1735; 7.1222; 26.1875 90; 90; 90 | 2084 | De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C, 2022, 78 |
2022698 | CIF HKL Paper | C8 H4 Br I N2 S | P b c a | 10.9919; 6.9945; 26.4076 90; 90; 90 | 2030.29 | De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C, 2022, 78 |
2022708 | CIF HKL Paper | Ga18 Mg Mn4 | P 4/m m m | 6.3116; 6.3116; 9.944 90; 90; 90 | 396.13 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Chumak, Ihor; Indris, Sylvio; Schwarz, Bjoern; Ehrenberg, Helmut MgMn~4~Ga~18~: a novel three-shell gallium cluster structure Acta Crystallographica, Section C, 2022, 78, 455-461 |
2108926 | CIF HKL Paper | C19 H18 N2 O5 S | P 1 21/c 1 | 9.5015; 11.992; 31.506 90; 95.785; 90 | 3571.6 | Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V. 1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity Acta Crystallographica Section B, 2022, 78 |
2108927 | CIF HKL | C19 H18 N2 O5 S | P -1 | 7.2868; 10.6462; 11.5637 87.896; 76.578; 87.155 | 871.2 | Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V. 1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity Acta Crystallographica Section B, 2022, 78 |
2108928 | CIF HKL Paper | C10 H9 N17 O18 | P 1 21/c 1 | 11.7438; 15.8026; 12.5832 90; 100.074; 90 | 2299.22 | Lian, Pengbao; Zhang, Luyao; Su, Hongping; Chen, Jun; Chen, Lizhen; Wang, Jianlong A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity Acta Crystallographica Section B, 2022, 78 |
2108929 | CIF HKL | Cs N O3 | P m -3 m | 4.5226; 4.5226; 4.5226 90; 90; 90 | 92.5 | Fábry, Jan; Kučeráková, Monika; Dušek, Michal; Buixaderas, Elena; Hlinka, Jiří Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data Acta Crystallographica Section B, 2022, 78 |
2108930 | CIF HKL Paper | C18 H16 N O3 P | P 1 21/n 1 | 9.8195; 9.8992; 16.2764 90; 94.985; 90 | 1576.17 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108931 | CIF HKL | C18 H15 Br N O3 P | P -1 | 8.4356; 9.2086; 11.2129 79.719; 86.293; 73.677 | 822.39 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108932 | CIF HKL | C18 H15 Cl N O3 P | P -1 | 8.4547; 9.2155; 11.0953 79.742; 86.939; 72.784 | 812.55 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108933 | CIF HKL | C18 H15 I N O3 P | P -1 | 8.4777; 9.2823; 11.4187 79.545; 85.778; 75.12 | 853.67 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108934 | CIF HKL | C18 H15 Br N O3 P | P -1 | 10.0639; 10.2306; 10.5227 107.907; 95.159; 118.01 | 874.05 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108935 | CIF HKL | C18 H15 Cl N O3 P | P 1 21/n 1 | 9.6702; 18.1551; 10.1914 90; 110.184; 90 | 1679.4 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108936 | CIF HKL | C18 H15 F N O3 P | P c a 21 | 35.0174; 7.3265; 12.927 90; 90; 90 | 3316.5 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108937 | CIF HKL | C18 H15 I N O3 P | P -1 | 10.06; 10.4577; 10.6104 109.098; 95.734; 116.967 | 898.35 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108938 | CIF HKL | C18 H15 Br N O3 P | C 1 2/c 1 | 24.8534; 7.2695; 19.7913 90; 103.346; 90 | 3479.16 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108939 | CIF HKL | C18 H15 Cl N O3 P | P 1 21/c 1 | 10.3815; 9.3201; 17.813 90; 90.725; 90 | 1723.39 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108940 | CIF HKL | C18 H15 F N O3 P | P -1 | 10.1285; 9.148; 17.8798 86.225; 90.171; 91.354 | 1652.6 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108941 | CIF HKL | C18 H15 I N O3 P | C 1 2/c 1 | 25.2005; 7.3428; 19.8275 90; 103.083; 90 | 3573.69 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108942 | CIF HKL | C18 H14 F2 N O3 P | P 1 21/c 1 | 10.1665; 9.3374; 17.5495 90; 94.912; 90 | 1659.83 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108943 | CIF HKL | C18 H14 F2 N O3 P | P -1 | 9.2189; 10.0245; 10.0445 68.276; 84.831; 69.889 | 809.02 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
2108944 | CIF HKL Paper | C20 H10 F2 N2 O2 | P 1 21/c 1 | 14.2169; 3.76791; 13.7214 90; 102.298; 90 | 718.16 | Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions Acta Crystallographica Section B, 2022, 78 |
2108945 | CIF HKL Paper | C20 H10 Cl2 N2 O2 | P -1 | 3.7718; 6.4792; 15.774 93.744; 92.189; 100.918 | 377.2 | Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions Acta Crystallographica Section B, 2022, 78 |
2108946 | CIF HKL Paper | C15 H12 | P 1 21/c 1 | 8.7976; 14.331; 7.986 90; 96.276; 90 | 1000.8 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108947 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.7885; 14.26; 8.0361 90; 96.465; 90 | 1000.7 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108948 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.672; 14.14; 8.197 90; 97.39; 90 | 997 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108949 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.485; 13.72; 8.568 90; 99.15; 90 | 985 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108950 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.444; 13.728; 8.5839 90; 99.365; 90 | 981.8 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108951 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.782; 14.117; 7.9575 90; 96.241; 90 | 980.7 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108952 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.785; 14.1121; 7.9525 90; 96.26; 90 | 980 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108953 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.7518; 14.129; 7.9658 90; 96.24; 90 | 979.17 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108954 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.7; 14.11; 7.995 90; 96.57; 90 | 975 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108955 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.48; 13.582; 8.538 90; 99.2; 90 | 971 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
2108956 | CIF HKL | C32 H36 N2 O24 | P -1 | 7.7242; 9.0042; 13.3769 92.44; 96.223; 112.469 | 851.09 | Pal, Rumpa; Jelsch, Christian; Momma, Koichi; Grabowsky, Simon π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis Acta Crystallographica Section B, 2022, 78 |
2108957 | CIF Paper | C36 H39 N3 | R -3 :H | 52.879; 52.879; 5.36308 90; 90; 120 | 12987.1 | Vilche, Anna; Bujaldón, Roger; Alcobé, Xavier; Velasco, Dolores; Puigjaner, Cristina Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first <i>N</i>,<i>N</i>',<i>N</i>''-trialkyldiindolocarbazole Acta Crystallographica Section B, 2022, 78, 253-260 |
2108958 | CIF HKL | C24 H14 N4 O2 S | P 1 21/n 1 | 20.6752; 3.7474; 25.1061 90; 111.624; 90 | 1808.28 | Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A. A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties Acta Crystallographica Section B, 2022, 78, 261-269 |
2108959 | CIF HKL | C24 H14 N4 O2 S | P 1 21/n 1 | 20.7891; 3.8267; 25.145 90; 111.747; 90 | 1858 | Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A. A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties Acta Crystallographica Section B, 2022, 78, 261-269 |
2108960 | CIF | Al5 Dy0.75 Gd0.75 Ho0.75 O12 Tb0.75 | I a -3 d | 12.08917; 12.08917; 12.08917 90; 90; 90 | 1766.81 | Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals Acta Crystallographica Section B, 2022, 78 |
2108961 | CIF | Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 | I a -3 d | 12.0516; 12.0516; 12.0516 90; 90; 90 | 1750.39 | Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals Acta Crystallographica Section B, 2022, 78 |
2108962 | CIF | Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 | I a -3 d | 12.0703; 12.0703; 12.0703 90; 90; 90 | 1758.55 | Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals Acta Crystallographica Section B, 2022, 78 |
2108963 | CIF HKL | C33 H52 O4 | P 21 21 21 | 11.8862; 13.1419; 18.8884 90; 90; 90 | 2950.51 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
2108964 | CIF | C33 H52 O4 | P 21 21 21 | 13.1807; 13.2466; 17.2198 90; 90; 90 | 3006.57 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
2108965 | CIF HKL | C32 H50 O4 | P 21 21 21 | 13.02432; 12.99238; 16.69407 90; 90; 90 | 2824.92 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
2108966 | CIF HKL | C36 H57 N O5 | P 21 21 21 | 12.9136; 13.7752; 18.7441 90; 90; 90 | 3334.34 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
2108967 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9129; 6.4872; 11.2465 90; 90.4816; 90 | 504.336 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108968 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9146; 6.4963; 11.252 90; 90.49; 90 | 505.414 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108969 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9165; 6.5072; 11.2575 90; 90.4987; 90 | 506.648 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108970 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9184; 6.5187; 11.2646 90; 90.5108; 90 | 508.002 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108971 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9209; 6.5336; 11.2726 90; 90.5215; 90 | 509.708 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108972 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9254; 6.5582; 11.2866 90; 90.5441; 90 | 512.593 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108973 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9303; 6.5873; 11.3017 90; 90.5672; 90 | 515.92 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108974 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.935; 6.619; 11.3172 90; 90.5886; 90 | 519.463 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108975 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9413; 6.6532; 11.3353 90; 90.608; 90 | 523.46 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108976 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9484; 6.6942; 11.3547 90; 90.618; 90 | 528.12 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
2108977 | CIF HKL | C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 | R -3 m :H | 7.3806; 7.3806; 31.5783 90; 90; 120 | 1489.71 | Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm Preliminary observations of the interplay of radiation damage with spin crossover Acta Crystallographica Section B, 2022, 78 |
2108978 | CIF HKL | C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 | R -3 m :H | 7.3869; 7.3869; 31.2243 90; 90; 120 | 1475.53 | Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm Preliminary observations of the interplay of radiation damage with spin crossover Acta Crystallographica Section B, 2022, 78 |
2108979 | CIF HKL | C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 | R -3 m :H | 7.4091; 7.4091; 31.216 90; 90; 120 | 1484.02 | Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm Preliminary observations of the interplay of radiation damage with spin crossover Acta Crystallographica Section B, 2022, 78 |
2108980 | CIF HKL | C42 H54 F12 I2 P2 | P -1 | 10.321; 15.231; 15.663 82.73; 80.201; 71.847 | 2298.4 | Zheng, Dan Ni; Szell, Patrick M. J.; Khiri, Safaa; Ovens, Jeffrey S.; Bryce, David L. Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the phosphorus···iodine halogen bond in a bis(dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal Acta Crystallographica Section B, 2022, 78 |
2108981 | CIF HKL Paper | C6 H24 Co2 N6 O15 | P -3 | 12.3686; 12.3686; 21.1962 90; 90; 120 | 2808.21 | Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~] Acta Crystallographica Section B, 2022, 78 |
2108982 | CIF HKL Paper | C6 H18 Ir2 N6 O12 | P -1 | 7.56; 9.7304; 11.9386 84.368; 87.579; 70.534 | 823.99 | Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~] Acta Crystallographica Section B, 2022, 78 |
2108983 | CIF HKL Paper | C12 H30 Co Ir2 K3 N6 O30 | R -3 :H | 10.2003; 10.2003; 29.408 90; 90; 120 | 2649.9 | Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~] Acta Crystallographica Section B, 2022, 78 |
2108984 | CIF HKL Paper | C68 H67 N4 O18 Zn2 | C 1 2 1 | 12.05; 8.11; 31.47 90; 92.48; 90 | 3073 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
2108985 | CIF HKL | C22 H32 Cu N2 O12 | P 1 21 1 | 13.9887; 6.891; 14.3405 90; 109.51; 90 | 1303 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
2108986 | CIF HKL | C22 H24 Cu N2 O8 | P 1 21/c 1 | 11.279; 5.5252; 17.45 90; 96.84; 90 | 1079.7 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
2108987 | CIF HKL | C34 H34 Cu N2 O9 | P 1 | 7.245; 7.251; 16.014 91.685; 97.664; 112.798 | 765.6 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
2108988 | CIF | C22 H32 Cu N4 O9 | P 1 21 1 | 13.9687; 6.8845; 14.3443 90; 109.401; 90 | 1301.13 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
2108989 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5638; 9.5638; 7.579 90; 90; 120 | 600.349 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
2108990 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5635; 9.5635; 7.5823 90; 90; 120 | 600.572 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
2108991 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5642; 9.5642; 7.5883 90; 90; 120 | 601.136 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
2108992 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.565; 9.565; 7.5972 90; 90; 120 | 601.941 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
2108993 | CIF HKL Paper | B4 Fe3 O12 Sm | R 3 2 :H | 9.5665; 9.5665; 7.5911 90; 90; 120 | 601.647 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
2108994 | CIF HKL | C32 H50 Cu F2 N6 O17 S | P 1 21/c 1 | 10.4613; 31.2244; 12.2241 90; 104.45; 90 | 3866.66 | Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction Acta Crystallographica Section B, 2022, 78 |
2108995 | CIF HKL | C16 H26 Cu N8 O14 S2 | P 1 21/c 1 | 7.3063; 10.8907; 16.4396 90; 90.67; 90 | 1308.02 | Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction Acta Crystallographica Section B, 2022, 78 |
2108996 | CIF Paper | C12 H16 N2 O5 | C 1 2/c 1 | 16.0117; 9.6657; 17.4382 90; 101.948; 90 | 2640.3 | Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V. Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid Acta Crystallographica Section B, 2022, 78 |
2108997 | CIF HKL | C12 H16 N2 O5 | P 1 21/c 1 | 14.3254; 8.7613; 11.4085 90; 112.48; 90 | 1323.07 | Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V. Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid Acta Crystallographica Section B, 2022, 78 |
2108998 | CIF | C2 H6 O6 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | Davidson, Max L.; Grabowsky, Simon; Jayatilaka, Dylan X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate Acta Crystallographica Section B, 2022, 78, 397-415 |
2108999 | CIF Paper | C5 H5 N3 O | P 1 21/n 1 | 3.5885; 6.7605; 22.434 90; 92.748; 90 | 543.6 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109000 | CIF | C5 H5 N3 O | P 1 21/n 1 | 3.633; 6.753; 22.546 90; 92.39; 90 | 552.7 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109001 | CIF | C5 H5 N3 O | P 1 21/c 1 | 14.3433; 3.6086; 10.6023 90; 100.982; 90 | 538.72 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109002 | CIF | C5 H5 N3 O | P 1 21/c 1 | 14.328; 3.633; 10.628 90; 101.169; 90 | 542.7 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109003 | CIF | C5 H5 N3 O | P 1 c 1 | 7.1818; 3.6295; 10.6533 90; 106.377; 90 | 266.43 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109004 | CIF | C5 H5 N3 O | P 1 c 1 | 7.173; 3.65; 10.686 90; 106.487; 90 | 268.27 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109005 | CIF | C5 H5 N3 O | P -1 | 5.1026; 5.7083; 9.8487 97.526; 98.499; 106.564 | 267.37 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109006 | CIF | C5 H5 N3 O | P -1 | 5.128; 5.708; 9.857 97.45; 98.04; 106.55 | 269.45 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
2109007 | CIF HKL | H2 O8 V3 | P n a m | 16.8658; 9.3282; 3.63523 90; 90; 90 | 571.92 | Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O Acta Crystallographica Section B, 2022, 78 |
2109008 | CIF HKL | H2 Mo0.15 O8 V2.85 | P n a m | 16.879; 9.3325; 3.64357 90; 90; 90 | 573.95 | Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O Acta Crystallographica Section B, 2022, 78 |
2109009 | CIF HKL Paper | C31 H50 O3 | P 1 | 7.1158; 13.118; 14.9298 91.25; 91.505; 99.452 | 1373.75 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109010 | CIF HKL | C32 H52 O3 | P 1 | 7.1484; 13.3087; 15.0523 92.456; 94.221; 98.518 | 1410.28 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109011 | CIF HKL | C32 H50.57 O4 | P 1 | 7.1965; 13.3283; 15.0866 92.599; 94.416; 98.623 | 1424.08 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109012 | CIF HKL | C33 H54 O3 | P 1 | 7.1971; 13.5381; 15.4611 94.146; 96.768; 96.674 | 1480.16 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109013 | CIF HKL | C37 H54 O3 | P 1 21 1 | 6.8066; 12.8648; 17.883 90; 94.885; 90 | 1560.25 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109014 | CIF HKL | C37 H52 O4 | P 1 21 1 | 6.7857; 13; 17.8671 90; 94.87; 90 | 1570.44 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109015 | CIF HKL | C34 H56 O3 | P 1 21 1 | 6.8841; 12.2006; 17.7696 90; 89.794; 90 | 1492.46 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109016 | CIF HKL | C34 H54 O4 | P 21 21 21 | 12.1308; 12.7614; 20.027 90; 90; 90 | 3100.3 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109017 | CIF HKL | C34 H54 O4 | P 21 21 21 | 10.7032; 16.2471; 17.3698 90; 90; 90 | 3020.54 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109018 | CIF HKL | C34 H56 O3 | P 21 21 21 | 10.3008; 16.2751; 17.6374 90; 90; 90 | 2956.85 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109019 | CIF HKL | C34 H54 O4 | P 21 21 21 | 10.3043; 16.1852; 17.627 90; 90; 90 | 2939.78 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
2109020 | CIF HKL Paper | As4 Cl1.33 O16 Pb6.67 | P 1 21 1 | 20.4487; 7.4362; 20.4513 90; 119.953; 90 | 2694.5 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
2109021 | CIF HKL | As4 Cl1.33 O16 Pb6.67 | P 1 1 21/b | 10.2378; 20.4573; 7.4457 90; 90; 120.039 | 1349.96 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
2109022 | CIF HKL | As3 Cl O12 Pb5 | P 1 1 21/b | 10.2398; 20.4774; 7.4554 90; 90; 119.981 | 1354.1 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
2109023 | CIF HKL | As2 Cl0.67 O8 Pb3.33 | P 1 1 21/b | 10.2552; 20.4913; 7.4576 90; 90; 119.993 | 1357.29 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
2109024 | CIF HKL | As4 Cl1.33 O16 Pb6.67 | P 1 1 21/b | 10.2544; 20.5052; 7.4568 90; 90; 119.971 | 1358.26 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
2109025 | CIF | As3 Cl O12 Pb5 | P 63/m | 10.2722; 10.2722; 7.4537 90; 90; 120 | 681.13 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
2109026 | CIF HKL Paper | C21 H18 N4 O2 Pb S | P 1 21 1 | 7.9341; 8.014; 15.3431 90; 91.259; 90 | 975.34 | Mahmoudi, Ghodrat; García-Santos, Isabel; Pittelkow, Michael; Kamounah, Fadhil S.; Zangrando, Ennio; Babashkina, Maria G.; Frontera, Antonio; Safin, Damir A. The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative Acta Crystallographica Section B, 2022, 78, 685-694 |
2109027 | CIF HKL Paper | C2 H8 N O5 P | P 1 21/a 1 | 9.7872; 8.4868; 7.407 90; 100.43; 90 | 605.1 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109028 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.7823; 8.4929; 7.412 90; 100.44; 90 | 605.6 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109029 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.7272; 8.4963; 7.332 90; 100.45; 90 | 595.9 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109030 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.6758; 8.4905; 7.306 90; 100.43; 90 | 590.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109031 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.6118; 8.4921; 7.251 90; 100.4; 90 | 582.1 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109032 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.5551; 8.501; 7.182 90; 100.35; 90 | 573.9 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109033 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.4961; 8.5028; 7.127 90; 100.38; 90 | 566 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109034 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.4462; 8.5075; 7.057 90; 100.46; 90 | 557.7 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109035 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.3869; 8.5115; 6.98 90; 100.5; 90 | 548.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109036 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.3265; 8.5118; 6.889 90; 100.68; 90 | 537.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109037 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2779; 8.5031; 6.835 90; 100.76; 90 | 529.7 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109038 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2492; 8.5144; 6.769 90; 100.94; 90 | 523.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109039 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2008; 8.5014; 6.745 90; 100.94; 90 | 518 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109040 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.1703; 8.4987; 6.695 90; 101.01; 90 | 512.2 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109041 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.1302; 8.4972; 6.657 90; 101; 90 | 507 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109042 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.1044; 8.4959; 6.628 90; 100.98; 90 | 503.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109043 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.07; 8.4856; 6.61 90; 100.98; 90 | 499.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
2109044 | CIF HKL Paper | C23 H30 N2 S | P 1 21/c 1 | 16.4064; 8.7386; 14.8229 90; 104.983; 90 | 2052.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109045 | CIF HKL Paper | C23 H30 N2 Se | P b c a | 17.4279; 15.2522; 31.0253 90; 90; 90 | 8247 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109046 | CIF HKL Paper | C25 H33 N3 S | P 1 21/c 1 | 13.0884; 12.976; 14.4293 90; 113.028; 90 | 2255.32 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109047 | CIF HKL Paper | C25 H33 N3 Se | P 1 21/c 1 | 13.1365; 13.3024; 14.2478 90; 113.156; 90 | 2289.18 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109048 | CIF HKL Paper | C23 H30 I2 N2 S | P -1 | 7.9505; 8.5048; 18.2812 81.04; 89.926; 85.125 | 1216.54 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109049 | CIF HKL Paper | C23 H30 I2 N2 Se | P -1 | 8.0282; 8.4305; 18.3525 81.814; 89.706; 85.171 | 1225.08 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109050 | CIF HKL Paper | C23 H30 I4 N2 S | P -1 | 8.3022; 11.351; 15.5656 83.691; 87.18; 75.024 | 1408.1 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109051 | CIF HKL Paper | C23 H30 I4 N2 Se | P 1 21/n 1 | 11.0063; 22.9632; 11.1015 90; 93.024; 90 | 2801.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109052 | CIF HKL Paper | C24 H32 Cl2 I4 N2 Se | P -1 | 8.4541; 8.5353; 22.0045 93.258; 90.198; 98.032 | 1569.59 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109053 | CIF HKL Paper | C26 H35 I5 N2 O Se | C 1 2/c 1 | 13.2501; 11.0708; 45.509 90; 96.722; 90 | 6629.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109054 | CIF HKL Paper | C29 H41 I3 N2 O S | P -1 | 8.7838; 14.2194; 15.1418 63.522; 74.494; 80.494 | 1628.9 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109055 | CIF HKL Paper | C29 H41 I3 N2 O Se | P -1 | 8.8091; 14.2584; 15.1228 63.952; 74.061; 81.113 | 1639.67 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109056 | CIF HKL Paper | C29 H30 F4 I2 N2 S | P n a 21 | 7.6668; 16.8546; 22.3786 90; 90; 90 | 2891.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109057 | CIF HKL Paper | C29 H30 F4 I2 N2 S | P 21 21 21 | 8.208; 12.9974; 27.2463 90; 90; 90 | 2906.71 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109058 | CIF HKL Paper | C29 H30 F4 I2 N2 Se | P 21 21 21 | 8.2583; 12.9953; 27.224 90; 90; 90 | 2921.65 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109059 | CIF HKL | C52 H60 F4 I2 N4 S2 | C 1 2/c 1 | 39.0981; 17.0474; 7.3957 90; 94.344; 90 | 4915.2 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109060 | CIF HKL | C52 H60 F4 I2 N4 Se2 | C 1 2/c 1 | 39.058; 17.2429; 7.4287 90; 94.012; 90 | 4990.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109061 | CIF HKL | C52 H60 F4 I2 N4 S2 | P -1 | 7.502; 12.2475; 14.478 104.905; 95.822; 104.609 | 1224.1 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109062 | CIF HKL | C52 H60 F4 I2 N4 Se2 | P -1 | 7.5969; 12.1995; 14.4439 104.613; 95.7464; 104.119 | 1237.43 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109063 | CIF HKL | C52 H60 F4 I2 N4 S2 | P 1 21/c 1 | 13.3377; 15.2129; 13.0613 90; 109.998; 90 | 2490.41 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109064 | CIF HKL Paper | C87 H90 F9 I9 N6 S3 | P 1 21/c 1 | 39.226; 7.9811; 30.341 90; 106.162; 90 | 9123.3 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109065 | CIF HKL Paper | C29 H30 F3 I3 N2 Se | P 1 21/n 1 | 8.0412; 30.07; 12.4774 90; 92.632; 90 | 3013.8 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109066 | CIF HKL Paper | C29 H30 F5 I N2 S | P n a 21 | 7.8472; 16.1751; 21.7956 90; 90; 90 | 2766.5 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109067 | CIF HKL | C76 H60 F25 I5 N4 Se2 | P 1 21/c 1 | 25.9292; 8.0709; 20.4309 90; 113.037; 90 | 3934.6 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109068 | CIF HKL | C24 H30 I2 N2 S | P -1 | 7.917; 11.6457; 15.0306 67.358; 83.953; 72.067 | 1216.73 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109069 | CIF HKL | C48 H60 I4 N4 Se2 | P -1 | 7.9777; 11.7334; 15.0059 67.54; 82.671; 71.632 | 1231.91 | Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T. Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors Acta Crystallographica Section B, 2022, 78 |
2109070 | CIF HKL | Ca5 Cl O12 V3 | P 63/m | 10.149; 10.149; 6.7957 90; 90; 120 | 606.19 | Matsuura, Mimiko; Okudera, Hiroki Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds Acta Crystallographica Section B, 2022, 78 |
2109071 | CIF HKL | Ca4.78 Cl0.78 Na0.22 O12 P3 | P 63/m | 9.5773; 9.5773; 6.8033 90; 90; 120 | 540.43 | Matsuura, Mimiko; Okudera, Hiroki Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds Acta Crystallographica Section B, 2022, 78 |
2109073 | CIF HKL Paper | C3 H7 N3 O5 | I 1 2/a 1 | 8.6385; 6.6817; 11.6069 90; 107.466; 90 | 639.061 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
2109074 | CIF HKL | C20 H14 | P 21 21 21 | 8.0808; 8.1662; 20.3821 90; 90; 90 | 1345 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
2109075 | CIF HKL | C20 H14 | P 21 21 21 | 8.1019; 8.1922; 20.442 90; 90; 90 | 1356.8 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
2109076 | CIF | Al0.1 B Fe0.45 Mg2.15 O5 Ti0.3 | P b a m | 9.246; 12.2731; 3.0092 90; 90; 90 | 341.48 | Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Cherosov, Mikhail A.; Bubnova, Rimma S.; Vagizov, Farit G.; Krzhizhanovskaya, Maria G.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V. X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe^2+^)~2~(Fe^3+^,Ti,Mg,Al)O~2~(BO~3~): an <i>in situ</i> temperature-dependent investigation (5 {łeq} <i>T</i> {łeq} 1650K) Acta Crystallographica Section B, 2022, 78 |
2109077 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5329; 9.9018; 7.0147 90; 100.309; 90 | 378.1 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109078 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5204; 9.8941; 6.9655 90; 100.34; 90 | 374.27 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109079 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.5087; 9.8814; 6.9315 90; 100.379; 90 | 371.13 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109080 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.2831; 9.491; 6.5957 90; 100.623; 90 | 325.05 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109081 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.2524; 9.4479; 6.535 90; 100.664; 90 | 318.69 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109082 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.173; 9.3305; 6.3822 90; 100.777; 90 | 302.61 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109083 | CIF HKL Paper | C2 H5 Br | P 1 21/n 1 | 5.107; 9.206; 6.285 90; 101.08; 90 | 290 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109084 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.85463; 10.1532; 7.2722 90; 102.701; 90 | 421.71 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109085 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.83962; 10.1442; 7.2368 90; 102.705; 90 | 418.2 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109086 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.82719; 10.1348; 7.20284 90; 102.711; 90 | 414.956 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109087 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.5767; 9.7073; 6.8424 90; 102.262; 90 | 361.96 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109088 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.5292; 9.6336; 6.7597 90; 102.209; 90 | 351.92 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109089 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.4696; 9.5403; 6.6492 90; 102.28; 90 | 339.03 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109090 | CIF HKL Paper | C2 H5 I | P 1 21/n 1 | 5.4335; 9.4863; 6.584 90; 102.191; 90 | 331.71 | Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study Acta Crystallographica Section B, 2022, 78 |
2109091 | CIF HKL Paper | C19 H21 Cl N4 O6 | P -1 | 7.0381; 12.2643; 12.4636 103.215; 97.797; 93.497 | 1032.92 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2109092 | CIF HKL | C19 H23 N3 O5 | P 1 21/n 1 | 8.7472; 16.9734; 13.248 90; 94.886; 90 | 1959.78 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2109093 | CIF HKL | C21 H25 N3 O4 | P -1 | 6.9734; 11.254; 13.4029 89.949; 82.689; 74.261 | 1003.55 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2109094 | CIF HKL | C19 H21 N5 O8 | P 1 21/n 1 | 6.9538; 18.9491; 15.9042 90; 99.261; 90 | 2068.35 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2109095 | CIF HKL | C14 H20 N3 O4 | P 1 21/c 1 | 6.9773; 20.6482; 10.5035 90; 98.764; 90 | 1495.56 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2109096 | CIF HKL | C19 H22 N4 O6 | P -1 | 6.8701; 12.1647; 12.1779 101.13; 92.818; 105.005 | 959.26 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2109097 | CIF | C19 H23 N3 O6 | P 1 21/n 1 | 8.5777; 17.5407; 13.22 90; 96.605; 90 | 1975.86 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2109098 | CIF HKL | C45 H52 N6 O13 | C 1 2/c 1 | 41.7; 8.2992; 12.9536 90; 97.033; 90 | 4449.2 | Scheepers, Matthew Clarke; Lemmerer, Andreas Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol Acta Crystallographica Section B, 2022, 78 |
2243944 | CIF HKL Paper | C10 H12 Cl N O2 | P 21 21 21 | 6.8913; 7.6898; 19.7527 90; 90; 90 | 1046.75 | Belov, Feodor; Villinger, Alexander; von Langermann, Jan (<i>R</i>)-Baclofen [(<i>R</i>)-4-amino-3-(4-chlorophenyl)butanoic acid] Acta Crystallographica Section E, 2022, 78, 33-35 |
2243945 | CIF HKL Paper | C20 H19 I N2 S | P -1 | 8.6382; 9.8182; 12.1922 77.2839; 85.1708; 74.7224 | 972.65 | Kang, Sungmin; Kim, Taek Hyeon; Kwak, Chee-Hun Synthesis and crystal structure of (<i>E</i>)-2-benzyl-1,3-diphenylisothiouronium iodide Acta Crystallographica Section E, 2022, 78, 51-53 |
2243946 | CIF HKL Paper | C16 H13 N3 O S | P 1 21/n 1 | 11.7685; 16.3641; 16.3798 90; 110.646; 90 | 2951.85 | Pirnazarova, Nasiba; Yakubov, Ubaydullo; Allabergenova, Sevara; Tojiboev, Akmaljon; Turgunov, Kambarali; Elmuradov, Burkhon Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-<i>N</i>-phenyl-3,4-dihydroquinazoline-2-carbothioamide Acta Crystallographica Section E, 2022, 78, 47-50 |
2243947 | CIF HKL Paper | C10 H16 O2 Si | P -1 | 8.2422; 8.3075; 8.294 94.149; 103.012; 104.909 | 529.55 | Schmidt, Annika; Krupp, Anna; Barth, Eva Rebecca; Strohmann, Carsten Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane Acta Crystallographica Section E, 2022, 78 |
2243948 | CIF HKL | C17 H18 O Si | P -1 | 8.7737; 9.1715; 9.813 102.219; 90.613; 110.28 | 720.85 | Schmidt, Annika; Krupp, Anna; Barth, Eva Rebecca; Strohmann, Carsten Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane Acta Crystallographica Section E, 2022, 78 |
2243949 | CIF HKL Paper | C19 H21 N O2 | P n a 21 | 17.3298; 14.1856; 6.5857 90; 90; 90 | 1618.99 | Gümüş, Mustafa Kemal; Kansiz, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, Eiad Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one Acta Crystallographica Section E, 2022, 78 |
2243950 | CIF HKL Paper | C6 H16 N2 | P 1 21/c 1 | 5.6987; 8.311; 8.453 90; 106.954; 90 | 382.95 | Schrimpf, Tobias; Otte, Felix; Strohmann, Carsten Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethanediamine Acta Crystallographica Section E, 2022, 78 |
2243951 | CIF HKL Paper | C41 H37 Fe N3 | P 1 21/n 1 | 11.8528; 10.9022; 24.927 90; 93.057; 90 | 3216.5 | Brennessel, William W.; Ellis, John E. Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1) Acta Crystallographica Section E, 2022, 78 |
2243952 | CIF HKL Paper | C89 H99 Fe N9 O2 | P -1 | 13.8912; 15.4941; 19.7902 85.342; 74.001; 70.884 | 3868.5 | Brennessel, William W.; Ellis, John E. Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1) Acta Crystallographica Section E, 2022, 78 |
2243953 | CIF HKL Paper | C21 H32 K N O6 | P 1 21/n 1 | 10.784; 9.754; 21.783 90; 91.864; 90 | 2290.1 | Brennessel, William W.; Ellis, John E. Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1) Acta Crystallographica Section E, 2022, 78 |
2243954 | CIF HKL Paper | C13 H13 N O4 | C 1 2/c 1 | 10.6287; 12.374; 17.5419 90; 92.836; 90 | 2304.28 | Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid Acta Crystallographica Section E, 2022, 78 |
2243955 | CIF HKL | C13 H13 N O4 | P n m a | 11.488; 6.4726; 15.2012 90; 90; 90 | 1130.32 | Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid Acta Crystallographica Section E, 2022, 78 |
2243956 | CIF HKL | C13 H13 N O4 | P 1 21/c 1 | 10.8649; 10.6185; 11.3616 90; 118.422; 90 | 1152.78 | Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid Acta Crystallographica Section E, 2022, 78 |
2243957 | CIF HKL Paper | C8 H4 F5 N O | P 1 21/c 1 | 14.4934; 5.8247; 9.7836 90; 90.87; 90 | 825.83 | Novikov, Anton P.; Bezdomnikov, Alexey A.; Grigoriev, Mikhail S.; German, Konstantin E. Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds Acta Crystallographica Section E, 2022, 78, 80-83 |
2243958 | CIF HKL Paper | B2 Pr Rh3 | P 6/m m m | 5.4676; 5.4676; 3.10837 90; 90; 120 | 80.474 | Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data Acta Crystallographica Section E, 2022, 78 |
2243959 | CIF HKL Paper | B2 Nd Rh3 | P 6/m m m | 5.4527; 5.4527; 3.11066 90; 90; 120 | 80.095 | Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data Acta Crystallographica Section E, 2022, 78 |
2243960 | CIF HKL Paper | B2 Rh3 Sm | P 6/m m m | 5.4438; 5.4438; 3.11901 90; 90; 120 | 80.048 | Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data Acta Crystallographica Section E, 2022, 78 |
2243961 | CIF HKL Paper | C28 H48 Co N6 S4 | C 1 2/c 1 | 24.0667; 8.8282; 18.891 90; 125.619; 90 | 3262.76 | Krebs, Christoph; Jess, Inke; Näther, Christian Synthesis, crystal structure and thermal properties of bis(1,3-dicyclohexylthiourea-κ<i>S</i>)bis(isothiocyanato-κ<i>N</i>)cobalt(II) Acta Crystallographica Section E, 2022, 78 |
2243962 | CIF HKL Paper | C24 H24 N2 O4 | P 1 21/n 1 | 4.7339; 18.406; 11.88 90; 98.47; 90 | 1023.8 | Kansiz, Sevgi; Yesilbag, Semanur; Dege, Necmi; Saif, Eiad; Agar, Erbil Crystal structure and Hirshfeld surface analysis of 6,6'-((1<i>E</i>,1'<i>E</i>)-{[1,4-phenylenebis(methylene)]bis(azanylylidene)}bis(methaneylylidene))bis(2-methoxyphenol) Acta Crystallographica Section E, 2022, 78 |
2243963 | CIF HKL Paper | C22 H24 N2 O6 | P 21 21 21 | 8.1864; 9.2061; 27.7903 90; 90; 90 | 2094.4 | Daoui, Said; Kansiz, Sevgi; Aktas, Feyzi Alkim; Dege, Necmi; Saif, Eiad; Benchat, Noureddine; Karrouchi, Khalid Crystal structure and molecular docking study of diethyl 2,2'-({[(1<i>E</i>,1'<i>E</i>)-(hydrazine-1,2-diylidene)bis(methanylylidene)]bis(4,1-phenylene)}bis(oxy))diacetate Acta Crystallographica Section E, 2022, 78, 88-91 |
2243964 | CIF HKL Paper | C37 H52 Cl2 O2 | P -1 | 8.2449; 9.1248; 12.1825 101.53; 102.729; 109.2 | 806.53 | Kurup, Sudheer S.; Nasser, Sandra; Ward, Cassandra L.; Groysman, Stanislav Synthesis and structure of a new bulky bis(alkoxide) ligand on a terphenyl platform Acta Crystallographica Section E, 2022, 78, 92-96 |
2243965 | CIF HKL Paper | C10 H7 F3 N2 O | P -1 | 5.4384; 8.8298; 10.0744 102.501; 96.764; 91.415 | 468.387 | Guseinov, Firudin I.; Kobrakov, Konstantin I.; Ugrak, Bogdan I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 2,2,2-trifluoro-1-(7-methylimidazo[1,2-<i>a</i>]pyridin-3-yl)ethan-1-one Acta Crystallographica Section E, 2022, 78, 12-17 |
2243966 | CIF HKL Paper | C33 H44 Cl2 F12 N2 P2 Pd2 S2 Sb2 | P b c a | 23.5167; 16.1492; 24.0414 90; 90; 90 | 9130.3 | Clerc, Arnaud; Saffon-Merceron, Nathalie; Monot, Julien; Martin Vaca, Blanca; Bourissou, Didier Crystal structure of a dicationic Pd^II^ dimer containing a 2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolate pincer ligand Acta Crystallographica Section E, 2022, 78, 18-22 |
2243967 | CIF HKL Paper | C20 H17 Cl N2 O3 | P b c a | 7.3514; 11.5539; 41.397 90; 90; 90 | 3516.2 | Daoui, Said; Muwafaq, Israa; Çınar, Emine Berrin; Abudunia, Abdulmalik; Dege, Necmi; Benchat, Noureddine; Karrouchi, Khalid Crystal structure and Hirshfeld surface analysis of 6-((<i>E</i>)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one Acta Crystallographica Section E, 2022, 78, 8-11 |
2243996 | CIF HKL Paper | C44.76 H43.05 F12 Mo2 O10.24 | P -1 | 7.7687; 12.099; 12.572 85.843; 81.208; 83.107 | 1157.6 | Aigeldinger, Elisabeth; Brandao, Lilliana; Powell, Troy; Hartnett, Alaina C.; Sun, Rui; Dogutan, Dilek K.; Zheng, Shao-Liang Crystal structure of a trifluoromethyl benzoato quadruple-bonded dimolybdenum complex Acta Crystallographica Section E, 2022, 78 |
2243997 | CIF HKL Paper | C17 H17 Br N2 O5 | P -1 | 8.8579; 10.5336; 11.0893 62.282; 75.437; 88.241 | 882.03 | El Ajlaoui, Rahhal; Hakmaoui, Yassine; Rakib, El Mostapha; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen Synthesis, crystal structure and Hirshfeld surface analysis of dimethyl 3-(3-bromophenyl)-6-methyl-7-oxo-3,5,6,7-tetrahydropyrazolo[1,2-<i>a</i>]pyrazole-1,2-dicarboxylate Acta Crystallographica Section E, 2022, 78 |
2243998 | CIF HKL Paper | C18 H18 N2 O3 S | P 21 21 21 | 5.9685; 11.058; 26.215 90; 90; 90 | 1730.2 | Simsek, Okan; Dincer, Muharrem; Dege, Necmi; Saif, Eiad; Yilmaz, Ibrahim; Cukurovali, Alaaddin Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-{[4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl]amino}-4-oxobut-2-enoic acid Acta Crystallographica Section E, 2022, 78 |
2243999 | CIF HKL Paper | C21 H32 Fe O2 | C 1 2/c 1 | 47.641; 10.1522; 7.8747 90; 97.091; 90 | 3779.6 | McAdam, C. John; Simpson, Jim Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol Acta Crystallographica Section E, 2022, 78 |
2244000 | CIF HKL Paper | C19 H35 N O4 S Si | P 1 21 1 | 8.4627; 12.8187; 10.3926 90; 107.033; 90 | 1077.95 | Kirchhoff, Jan-Lukas; Koller, Stephan G.; Louven, Kathrin; Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate Acta Crystallographica Section E, 2022, 78 |
2244001 | CIF Paper | C9 H14 Cl N | P 21 21 21 | 6.7723; 7.1806; 20.542 90; 90; 90 | 998.94 | Kirchhoff, Jan-Lukas; Brieger, Lukas; Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of (<i>S</i>)-<i>N</i>-methyl-1-phenylethan-1-aminium chloride Acta Crystallographica Section E, 2022, 78 |
2244002 | CIF HKL | C8 H8 Cl3 N3 O4 S2 | P -1 | 8.4389; 8.8929; 9.7293 91.315; 106.113; 97.158 | 694.73 | Toro, Robert A.; Dugarte-Dugarte, Analio; van de Streek, Jacco; Henao, José Antonio; Delgado, José Miguel; Díaz de Delgado, Graciela Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (<i>RS</i>)-trichlormethiazide Acta Crystallographica Section E, 2022, 78 |
2244003 | CIF HKL Paper | C7 H16 Cl N3 O S | P b c a | 11.036; 10.1005; 19.291 90; 90; 90 | 2150.4 | Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V. Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate Acta Crystallographica Section E, 2022, 78 |
2244004 | CIF HKL | C7 H16 Cl N3 O S | P b c a | 11.0924; 10.1898; 19.6434 90; 90; 90 | 2220.28 | Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V. Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate Acta Crystallographica Section E, 2022, 78 |
2244005 | CIF HKL | C13 H21 N5 O8 | P -1 | 6.6211; 11.891; 12.389 116.32; 98.878; 98.39 | 838.1 | Subha, Veerappan; Seethalakshmi, Thangaraj; Balakrishnan, Thangavelu; Judith Percino, M.; Venkatesan, Perumal Crystal structure and Hirshfeld surface analysis of the hydrated 2:1 adduct of piperazine-1,4-diium 3,5-dinitro-2-oxidobenzoate and piperazine Acta Crystallographica Section E, 2022, 78 |
2244006 | CIF HKL Paper | C5 H11 N O S2 | P b c a | 9.5828; 8.8467; 17.64 90; 90; 90 | 1495.45 | Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine Acta Crystallographica Section E, 2022, 78 |
2244007 | CIF HKL Paper | C5 H11 N O S2 | P b c a | 9.716; 8.9709; 17.8577 90; 90; 90 | 1556.5 | Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine Acta Crystallographica Section E, 2022, 78 |
2244008 | CIF HKL Paper | C20 H23 N O | P 1 21 1 | 8.3063; 7.5842; 13.841 90; 104.174; 90 | 845.39 | Periyannan, P.; Beemarao, M.; Karthik, K .; Ponnuswamy, S.; Ravichandran, K. Crystal structure, DFT and Hirshfeld surface analysis of <i>N</i>-acetyl-<i>t</i>-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine Acta Crystallographica Section E, 2022, 78 |
2244009 | CIF HKL Paper | C18 H15 N2 O0.5 | F d d d :2 | 7.2131; 13.8648; 53.4532 90; 90; 90 | 5345.8 | Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I. Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine Acta Crystallographica Section E, 2022, 78 |
2244010 | CIF HKL | C19 H16 N2 | P b c a | 11.6878; 18.0941; 26.9604 90; 90; 90 | 5701.6 | Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I. Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine Acta Crystallographica Section E, 2022, 78 |
2244011 | CIF HKL | C22 H22 N2 S | P 1 21/c 1 | 11.2378; 14.7792; 11.3165 90; 102.042; 90 | 1838.15 | Dhaene, Evert; Van Driessche, Isabel; De Buysser, Klaartje; Van Hecke, Kristof Crystal structures of three <i>N</i>,<i>N</i>,<i>N</i>'-trisubstituted thioureas for reactivity-controlled nanocrystal synthesis Acta Crystallographica Section E, 2022, 78 |
2244012 | CIF HKL | C14 H14 N2 S | P -1 | 9.8379; 10.8014; 13.2328 65.913; 87.752; 84.059 | 1276.82 | Dhaene, Evert; Van Driessche, Isabel; De Buysser, Klaartje; Van Hecke, Kristof Crystal structures of three <i>N</i>,<i>N</i>,<i>N</i>'-trisubstituted thioureas for reactivity-controlled nanocrystal synthesis Acta Crystallographica Section E, 2022, 78 |
2244013 | CIF HKL | C15 H24 N2 S | R -3 :H | 25.5231; 25.5231; 12.6225 90; 90; 120 | 7121.03 | Dhaene, Evert; Van Driessche, Isabel; De Buysser, Klaartje; Van Hecke, Kristof Crystal structures of three <i>N</i>,<i>N</i>,<i>N</i>'-trisubstituted thioureas for reactivity-controlled nanocrystal synthesis Acta Crystallographica Section E, 2022, 78 |
2244014 | CIF HKL Paper | C18 H20 Br N5 Ni O4 | P -1 | 8.3057; 9.23; 14.397 95.338; 104.493; 112.592 | 964.23 | Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Studzinsky, Sergey L.; Skelton, Brian W.; Vasyliev, Georgii S. Ni^II^ molecular complex with a tetradentate aminoguanidine-derived Schiff base ligand: structural, spectroscopic and electrochemical studies and photoelectric response Acta Crystallographica Section E, 2022, 78 |
2244015 | CIF HKL Paper | B37 Mg Na3 Si9 | R -3 m :H | 10.163; 10.163; 16.5742 90; 90; 120 | 1482.54 | Morito, Haruhiko; Ikeda, Takuji; Katsura, Yukari; Yamane, Hisanori Na~3~MgB~37~Si~9~: an icosahedral B~12~ cluster framework containing {Si~8~} units Acta Crystallographica Section E, 2022, 78 |
2244016 | CIF HKL Paper | C12 H62 N4 Na6 O60 W12 | P -1 | 12.0541; 12.0821; 12.705 73.18; 65.308; 64.345 | 1502.07 | Sifaki, Kleanthi; Gumerova, Nadiia I.; Giester, Gerald; Rompel, Annette Crystal structure of hexasodium tetraserinolium paratungstate B decahydrate, [Na~6~{(CH~2~OH)~2~CHNH~3~}~4~][W~12~O~40~(OH)~2~]·10H~2~O Acta Crystallographica Section E, 2022, 78 |
2244017 | CIF HKL Paper | C10 H12 N2 O | P 21 21 21 | 5.852; 12.437; 12.444 90; 90; 90 | 905.7 | Rakhmonova, Dilnoza; Kadirova, Zukhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Ashurov, Jamshid; Shishkina, Svitlana The molecular and crystal structures of 2-(3-hydroxypropyl)benzimidazole and its nitrate salt Acta Crystallographica Section E, 2022, 78 |
2244018 | CIF HKL Paper | C10 H13 N3 O4 | P 1 21/n 1 | 8.51; 8.2525; 16.513 90; 93.76; 90 | 1157.19 | Rakhmonova, Dilnoza; Kadirova, Zukhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Ashurov, Jamshid; Shishkina, Svitlana The molecular and crystal structures of 2-(3-hydroxypropyl)benzimidazole and its nitrate salt Acta Crystallographica Section E, 2022, 78 |
2244019 | CIF HKL Paper | C25 H28 N2 O5 S | P -1 | 10.0643; 10.3592; 12.0685 83.296; 80.77; 75.638 | 1199.23 | Al-Taifi, Elham A.; Marae, Islam S.; El-Ossaily, Yasser A.; Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A. Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetic acid ethyl ester Acta Crystallographica Section E, 2022, 78, 220-224 |
2244020 | CIF HKL Paper | C7 H7 N3 S | C 1 2/c 1 | 16.1179; 11.8796; 16.5649 90; 91.974; 90 | 3169.9 | Rakhmonova, Dilnoza; Gapurova, Lobar; Razzoqova, Surayyo; Kadirova, Shakhnoza; Torambetov, Batirbay; Kadirova, Zukhra; Shishkina, Svitlana 5-Amino-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione: molecular, crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E, 2022, 78, 231-234 |
2244021 | CIF HKL Paper | C25 H21 N3 O2 S | P 1 21/n 1 | 18.2782; 19.1455; 24.6978 90; 96.323; 90 | 8590.3 | Mohamed, Shaaban K.; Bakhite, Etify A.; Çelikesir, Sevim Türktekin; Abdu-Allah, Hajjaj H. M.; Akkurt, Mehmet; Ibrahim, Omaima F.; Mague, Joel T.; Al-Waleedy, Safiyyah A. H. Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl-<i>N</i>-phenyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2-carboxamide Acta Crystallographica Section E, 2022, 78, 225-230 |
2244022 | CIF HKL Paper | C48 H56 Co4 N8 O16 S4 | P -4 21 c | 15.6121; 15.6121; 11.8359 90; 90; 90 | 2884.9 | Park, Ava M.; Golen, James A.; Manke, David R. A cuboidal [Cu~4~(SO~4~)~4~] structure supported by β-picoline ligands Acta Crystallographica Section E, 2022, 78, 108-110 |
2244023 | CIF HKL Paper | C5.33 H9.33 Fe N4 O3.33 Pt | P m -3 m | 10.5089; 10.5089; 10.5089 90; 90; 90 | 1160.57 | Hiiuk, Volodymyr M.; Mykhailovych, Vasyl; Shova, Sergiu; Golenya, Irina A.; Gural'skiy, Il'ya A. Crystal structure of poly[[diaquatetra-μ~2~-cyanido-platinum(II)iron(II)] methanol 4/3-solvate]: a three-dimensional Hofmann clathrate analogue Acta Crystallographica Section E, 2022, 78, 216-219 |
2244024 | CIF HKL Paper | C9 H16 Ag B F4 N3 O2 P | C 1 c 1 | 10.116; 12.186; 10.979 90; 98.26; 90 | 1339.4 | Udvardy, Antal; Kathó, Ágnes; Papp, Gábor; Joó, Ferenc; Gál, Gyula Tamás Novel three-dimensional coordination polymer of 2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.1^3,7^]decan-7-yl)ethanoic acid with silver(I) tetrafluoroborate Acta Crystallographica Section E, 2022, 78 |
2244025 | CIF HKL | C14 H9 Br S2 | P 1 21/c 1 | 8.2471; 9.9562; 15.7601 90; 98.967; 90 | 1278.2 | Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S. Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes Acta Crystallographica Section E, 2022, 78 |
2244026 | CIF HKL | C14 H9 I S2 | P 1 21/c 1 | 8.4872; 9.9629; 15.6485 90; 97.052; 90 | 1313.18 | Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S. Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes Acta Crystallographica Section E, 2022, 78 |
2244027 | CIF HKL | C14 H9 Br Se2 | P 1 21/c 1 | 12.3864; 13.6816; 8.0982 90; 96.398; 90 | 1363.82 | Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S. Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes Acta Crystallographica Section E, 2022, 78 |
2244028 | CIF HKL | C14 H9 I Se2 | P 1 21/c 1 | 12.9606; 13.5999; 8.0448 90; 95.585; 90 | 1411.27 | Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S. Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes Acta Crystallographica Section E, 2022, 78 |
2244029 | CIF HKL Paper | C28 H46 Mg | P -1 | 8.7025; 9.0903; 9.2033 80.829; 81.151; 63.004 | 637.68 | Bachmann, Nico; Wirtz, Lisa; Morgenstern, Bernd; Müller, Carsten; Schäfer, André Crystal structure of 1,1',2,2',4,4'-hexaisopropylmagnesocene Acta Crystallographica Section E, 2022, 78 |
2244030 | CIF HKL Paper | C60 H123.2 Co2 N36 O5.6 S4 | P -1 | 12.1536; 12.9256; 12.9374 76.629; 80.395; 80.578 | 1932.9 | Krebs, Christoph; Jess, Inke; Näther, Christian Crystal structures of two Co(NCS)~2~ urotropine coordination compounds with different Co coordinations Acta Crystallographica Section E, 2022, 78 |
2244031 | CIF HKL | C14 H30 Co N6 O3 S2 | P 1 21/n 1 | 11.1463; 15.7705; 12.1824 90; 103.886; 90 | 2078.87 | Krebs, Christoph; Jess, Inke; Näther, Christian Crystal structures of two Co(NCS)~2~ urotropine coordination compounds with different Co coordinations Acta Crystallographica Section E, 2022, 78 |
2244032 | CIF HKL Paper | C20 H16 Br N3 O2 | P 1 c 1 | 9.5889; 13.2144; 14.4529 90; 103.939; 90 | 1777.4 | Mamedov, Ibrahim G.; Khrustalev, Victor N.; Akkurt, Mehmet; Novikov, Anton P.; Asgarova, Ayten R.; Aliyeva, Khatira N.; Akobirshoeva, Anzurat A. Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile Acta Crystallographica Section E, 2022, 78 |
2244033 | CIF HKL Paper | C24 H24 F N3 O7 | P 1 21/c 1 | 7.9722; 21.2705; 13.086 90; 101.805; 90 | 2172.1 | Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids Acta Crystallographica Section E, 2022, 78 |
2244034 | CIF HKL Paper | C24 H27 Cl F N3 O8 | P 1 | 7.2165; 8.8298; 10.1184 92.997; 95.219; 111.557 | 594.6 | Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids Acta Crystallographica Section E, 2022, 78 |
2244035 | CIF HKL Paper | C34 H82 Co3 N14 O2 S8 Sb2 | P -1 | 8.7292; 12.968; 13.8936 66.218; 77.035; 83.321 | 1401.93 | Näther, Christian; Danker, Felix; Bensch, Wolfgang Synthesis and crystal structure of poly[[di-μ~3~-tetrathioantimonato-tris[(cyclam)cobalt(II)]] acetonitrile disolvate dihydrate] (cyclam = 1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section E, 2022, 78 |
2244036 | CIF HKL Paper | C14 H10 F3 N O | P -1 | 5.3606; 7.7831; 14.415 77.17; 79.421; 89.719 | 576 | Pearson, Wayne H.; Urban, Joseph J.; MacArthur, Amy H. Roy; Lin, Shirley; Cabrera, Dylan W. L. Crystal structures of <i>N</i>-[4-(trifluoromethyl)phenyl]benzamide and <i>N</i>-(4-methoxyphenyl)benzamide at 173K: a study of the energetics of conformational changes due to crystal packing Acta Crystallographica Section E, 2022, 78 |
2244037 | CIF HKL Paper | C14 H13 N O2 | P 1 21/c 1 | 26.783; 5.2477; 8.1343 90; 97.594; 90 | 1133.24 | Pearson, Wayne H.; Urban, Joseph J.; MacArthur, Amy H. Roy; Lin, Shirley; Cabrera, Dylan W. L. Crystal structures of <i>N</i>-[4-(trifluoromethyl)phenyl]benzamide and <i>N</i>-(4-methoxyphenyl)benzamide at 173K: a study of the energetics of conformational changes due to crystal packing Acta Crystallographica Section E, 2022, 78 |
2244038 | CIF HKL Paper | C18 H32 N2 O6 Zn | P 1 21/c 1 | 14.6212; 14.8002; 20.1288 90; 101.719; 90 | 4265 | Johnson, Keneshia O.; Brown, Antionette; Farris, Gabriella; Starks, Alexabria; Butcher, Ray J.; Matthews, Jason S. Distorted zinc coordination polyhedra in bis(1-ethoxy-2-{[(2-methoxyethyl)imino]methyl}propan-1-olato)zinc, a possible CVD precursor for zinc oxide thin films Acta Crystallographica Section E, 2022, 78 |
2244039 | CIF HKL Paper | C22 H15 N3 O4 | P 1 21/c 1 | 15.9256; 14.8256; 7.6787 90; 90.566; 90 | 1812.9 | El Kalai, Fouad; Baydere, Cemile; Dege, Necmi; Abudunia, Abdulmalik; Benchat, Noureddine; Karrouchi, Khalid Crystal structure and Hirshfeld surface analysis of 2-oxo-2-phenylethyl 3-nitroso-2-phenylimidazo[1,2-<i>a</i>]pyridine-8-carboxylate Acta Crystallographica Section E, 2022, 78 |
2244040 | CIF HKL Paper | C19 H17 N3 O2 | P 1 21/n 1 | 12.91; 6.32; 21.17 90; 106.48; 90 | 1656.3 | Asadov, Khammed A.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Huseynova, Afet T.; Akobirshoeva, Anzurat A.; Huseynov, Elnur Z. Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile Acta Crystallographica Section E, 2022, 78 |
2244041 | CIF HKL Paper | C11 H11 N3 O3 | P 1 21/n 1 | 3.9608; 24.104; 11.1762 90; 90.189; 90 | 1067 | Pintro, Chirs J.; Long, Analeece K.; Amonette, Allison J.; Lobue, James M.; Padgett, Clifford W. Crystal structures and Hirshfeld surface analysis of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid and 5-amino-3-(4-methoxyphenyl)isoxazole Acta Crystallographica Section E, 2022, 78, 336-339 |
2244042 | CIF HKL Paper | C10 H10 N2 O2 | P 21 21 21 | 7.6496; 8.7565; 14.128 90; 90; 90 | 946.3 | Pintro, Chirs J.; Long, Analeece K.; Amonette, Allison J.; Lobue, James M.; Padgett, Clifford W. Crystal structures and Hirshfeld surface analysis of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid and 5-amino-3-(4-methoxyphenyl)isoxazole Acta Crystallographica Section E, 2022, 78, 336-339 |
2244043 | CIF Paper | C23 H24 N2 O5 | P -1 | 9.4329; 10.9974; 11.931 115.244; 93.939; 104.18 | 1064.01 | Yennawar, Hemant P.; Sigmon, Anna Crystal structure of racemic (<i>R</i>/<i>S</i>,<i>E</i>)-2-(4-hydroxyphenyl)-4-(2-phenylhydrazin-1-ylidene)chromane-5,7-diol ethanol monosolvate Acta Crystallographica Section E, 2022, 78 |
2244044 | CIF HKL Paper | C21 H23 Cu2 N2 O5.5 | P 1 21/n 1 | 6.9688; 25.8066; 22.829 90; 95.418; 90 | 4087.25 | Diallo, Alassane Saïdou; Thiam, Ibrahima Elhadji; Gueye-Ndiaye, Mbossé; Dieng, Moussa; Orton, James; Simon, Coles; Gaye, Mohamed Tetranuclear copper(II) complex of 2-hydroxy-<i>N</i>,<i>N</i>'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine Acta Crystallographica Section E, 2022, 78 |
2244045 | CIF HKL Paper | C16 H18 Cl3.19 I0.81 N4 Zn | P -1 | 9.4588; 10.8892; 10.8343 100.305; 110.91; 90.955 | 1021.67 | Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W. Organic–inorganic hybrid mixed-halide Zn^II^ and Cd^II^ tetrahalometallates with the 2-methylimidazo[1,5-<i>a</i>]pyridinium cation Acta Crystallographica Section E, 2022, 78 |
2244046 | CIF HKL Paper | C16 H18 Br2.42 Cd Cl1.58 N4 | P -1 | 9.5172; 10.8293; 10.9697 99.62; 110.413; 90.827 | 1041.45 | Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W. Organic–inorganic hybrid mixed-halide Zn^II^ and Cd^II^ tetrahalometallates with the 2-methylimidazo[1,5-<i>a</i>]pyridinium cation Acta Crystallographica Section E, 2022, 78 |
2244047 | CIF HKL Paper | C16 H18 Cd Cl3.9 I0.1 N4 | P -1 | 9.4304; 10.7968; 10.7565 99.209; 110.746; 90.837 | 1007.97 | Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W. Organic–inorganic hybrid mixed-halide Zn^II^ and Cd^II^ tetrahalometallates with the 2-methylimidazo[1,5-<i>a</i>]pyridinium cation Acta Crystallographica Section E, 2022, 78 |
2244048 | CIF HKL Paper | C10 H12 N2 O | P 21 21 21 | 8.2248; 8.7542; 13.0712 90; 90; 90 | 941.15 | Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. Crystal structure of serotonin Acta Crystallographica Section E, 2022, 78 |
2244049 | CIF HKL Paper | C14 H14 N2 S3 | P b c a | 10.0771; 16.0292; 17.8768 90; 90; 90 | 2887.6 | Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Gad, Nagwa M.; Jones, Peter G. Crystal structure of 2-(benzo[<i>d</i>]thiazol-2-yl)-3,3-bis(ethylsulfanyl)acrylonitrile Acta Crystallographica Section E, 2022, 78 |
2244050 | CIF HKL Paper | C4 H6 N2 O | P 1 21/n 1 | 10.6201; 8.0201; 18.2085 90; 91.262; 90 | 1550.5 | Wysocki, Megan M.; Puzovic, Gorana; Dowell, Keith L.; Reinheimer, Eric W.; Gerlach, Deidra L. Crystal structure of 1<i>H</i>-imidazole-1-methanol Acta Crystallographica Section E, 2022, 78 |
2244051 | CIF HKL Paper | C20 H23 N O2 | P 1 21/c 1 | 5.7062; 34.009; 8.5042 90; 98.178; 90 | 1633.6 | Cheng, Dong; Gao, Xinlei; Huang, Jiating; Meng, Xiang-Zhen Crystal structure and Hirshfeld surface analysis of 7,7-dimethyl-2-phenyl-3,3a,4,6,7,8,9,9a-octahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-1,5(2<i>H</i>)-dione Acta Crystallographica Section E, 2022, 78 |
2244052 | CIF HKL Paper | C15 H14 N4 O6 S2 | P 21 21 21 | 4.7727; 17.5228; 21.8526 90; 90; 90 | 1827.56 | Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F. Crystal structures of anhydrous and hydrated ceftibuten Acta Crystallographica Section E, 2022, 78 |
2244053 | CIF HKL | C15 H19.3 N4 O8.65 S2 | P 21 21 21 | 4.669; 17.8029; 23.1486 90; 90; 90 | 1924.15 | Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F. Crystal structures of anhydrous and hydrated ceftibuten Acta Crystallographica Section E, 2022, 78 |
2244054 | CIF HKL Paper | C51 H42 N6 O2 | P -1 | 10.0193; 15.2554; 17.7983 69.918; 74.926; 84.14 | 2466.9 | Chaudhri, Nivedita; Brückner, Christian; Zeller, Matthias Crystal structure of <i>cis</i>-7,8-dihydroxy-5,10,15,20-tetraphenylchlorin and its zinc(II)–ethylenediamine complex Acta Crystallographica Section E, 2022, 78 |
2244055 | CIF HKL | C46.14 H38.54 N6 O2.14 Zn | P 1 21/c 1 | 10.1249; 13.54; 27.0447 90; 95.1464; 90 | 3692.64 | Chaudhri, Nivedita; Brückner, Christian; Zeller, Matthias Crystal structure of <i>cis</i>-7,8-dihydroxy-5,10,15,20-tetraphenylchlorin and its zinc(II)–ethylenediamine complex Acta Crystallographica Section E, 2022, 78 |
2244056 | CIF HKL Paper | C15 H12 N2 O3 S | P 1 21/c 1 | 5.7667; 28.4129; 15.5339 90; 91.728; 90 | 2544.05 | Benarous, Nesrine; Moussa Slimane, Nabila; Bougueria, Hassiba; Boutebdja, Mehdi; Cherouana, Aouatef Crystal structure and Hirshfeld surface analysis of 2-(2-hydroxyphenyl)quinoline-6-sulfonamide Acta Crystallographica Section E, 2022, 78 |
2244057 | CIF HKL Paper | C14 H8 Br2 F N3 O2 | P b c n | 14.87; 15.2915; 13.103 90; 90; 90 | 2979.42 | Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Suleymanova, Gulnar T.; Khrustalev, Victor N.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene Acta Crystallographica Section E, 2022, 78 |
2244058 | CIF HKL Paper | C12 H10 Cl N O3 | P 1 21/c 1 | 8.3515; 16.6672; 7.9705 90; 107.191; 90 | 1059.9 | Filali Baba, Yassir; Hayani, Sonia; Dalbouha, Samira; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis, interaction energy and DFT calculations and energy frameworks of methyl 6-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate Acta Crystallographica Section E, 2022, 78 |
2244059 | CIF HKL Paper | C20 H13 N3 O2 S Se | P -1 | 7.776; 9.9573; 11.4124 90.97; 92.771; 94.283 | 879.95 | Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds Acta Crystallographica Section E, 2022, 78 |
2244060 | CIF HKL | C14 H9 N3 S | P b c a | 7.5884; 7.106; 43.2464 90; 90; 90 | 2331.98 | Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds Acta Crystallographica Section E, 2022, 78 |
2244061 | CIF HKL | C14 H9 N3 O | P b c a | 12.0256; 7.7396; 23.8551 90; 90; 90 | 2220.3 | Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds Acta Crystallographica Section E, 2022, 78 |
2244062 | CIF Paper | C18 H14 N2 O3 S | P b c a | 7.3003; 18.9557; 21.9045 90; 90; 90 | 3031.2 | Ifeanyieze, Kenechukwu J.; Ayiya, Bikimi B.; Okpareke, Obinna C.; Groutso, Tatiana V.; Asegbeloyin, Jonnie N. Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea Acta Crystallographica Section E, 2022, 78 |
2244063 | CIF HKL Paper | C11 H8 N4 O S | P c a 21 | 11.142; 7.2555; 27.333 90; 90; 90 | 2209.6 | Nikitina, Evgeniya V.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Petkevich, Sergey K.; Akishina, Ekaterina A.; Khrustalev, Victor N.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine Acta Crystallographica Section E, 2022, 78, 453-457 |
2244064 | CIF HKL Paper | C15 H13 N O2 S | P 1 21/c 1 | 14.6666; 13.8922; 6.26063 90; 100.127; 90 | 1255.74 | Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G. Crystal structure of 2-(2,5-dimethoxyphenyl)benzo[<i>d</i>]thiazole Acta Crystallographica Section E, 2022, 78, 445-448 |
2244065 | CIF HKL Paper | C18 H19 Cl2 N3 O3 | I 1 2/a 1 | 19.6562; 7.5587; 26.4903 90; 109.762; 90 | 3704 | Daoui, Said; Çınar, Emine Berrin; Dege, Necmi; Benchat, Noureddine; Saif, Eiad; Karrouchi, Khalid Crystal structure of (<i>E</i>)-3-({6-[2-(4-chlorophenyl)ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)pyridin-1-ium chloride dihydrate Acta Crystallographica Section E, 2022, 78, 458-462 |
2244066 | CIF HKL Paper | C16 H14 N2 O | P 1 21/n 1 | 5.87685; 7.5999; 28.4578 90; 90.604; 90 | 1270.95 | Taneda, Masatsugu; Nishi, Masato; Kubono, Koji; Kashiwagi, Yukiyasu; Matsumoto, Taisuke Crystal structure of <i>N</i>-(1<i>H</i>-indol-2-ylmethylidene)-4-methoxyaniline Acta Crystallographica Section E, 2022, 78, 449-452 |
2244067 | CIF HKL Paper | C33 H33 N3 | P -1 | 7.9106; 10.4468; 15.5735 79.988; 77.717; 77.909 | 1218.33 | Kubono, Koji; Tani, Keita; Kashiwagi, Yukiyasu; Tani, Fumito; Matsumoto, Taisuke Synthesis and crystal structure of <i>anti</i>-10-butyl-10,11,22,23-tetrahydro-9<i>H</i>,21<i>H</i>-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-<i>a</i>:5,6-<i>a</i>']diindole Acta Crystallographica Section E, 2022, 78 |
2244068 | CIF HKL Paper | C6 H50 N4 O44 V10 Zn2 | P 1 21/n 1 | 15.5436; 8.6538; 16.7362 90; 108.628; 90 | 2133.27 | Ebrahimi, Arash; Gyepes, Róbert; Bujdoš, Marek; Krivosudský, Lukáš Crystal structure of bis(ammonium) bis[pentaaqua(dimethylformamide)zinc(II)] decavanadate tetrahydrate Acta Crystallographica Section E, 2022, 78 |
2244069 | CIF HKL Paper | C21 H22 Cl N O5 | P -1 | 7.332; 9.886; 13.27 93.359; 102.703; 92.41 | 935.2 | Kornilova, Tatiana; Glebov, Viktor; Castañeda, Raúl; Timofeeva, Tatiana V. A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section E, 2022, 78 |
2244070 | CIF HKL Paper | C10 H13 Br N2 O3 S | C 1 2/c 1 | 21.0939; 9.252; 15.0283 90; 116.211; 90 | 2631.4 | Bookwala, Mustafa; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D. Crystal structure of 4-bromo-<i>N</i>-(propylcarbamoyl)benzenesulfonamide Acta Crystallographica Section E, 2022, 78 |
2244071 | CIF HKL Paper | C34 H82 N14 O2 S8 Sb2 Zn3 | P -1 | 8.7856; 13.1738; 14.0096 67.018; 77.677; 84.22 | 1458.1 | Näther, Christian; Danker, Felix; Bensch, Wolfgang Crystal structure of μ~3~-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section E, 2022, 78 |
2244072 | CIF HKL Paper | C32 H22 Cl4 I2 N2 | P 1 21/n 1 | 9.6519; 28.312; 11.1909 90; 92.154; 90 | 3055.9 | Dunning, Taylor J.; Bosch, Eric; Groeneman, Ryan H. Halogen-bonded zigzag molecular network based upon 1,2-diiodoperchlorobenzene and the photoproduct <i>rctt</i>-1,3-bis(pyridin-4-yl)-2,4-diphenylcyclobutane Acta Crystallographica Section E, 2022, 78 |
2244073 | CIF HKL Paper | C12 H18 Cl N3 Ni S | P 1 21/n 1 | 7.8601; 9.8884; 18.19 90; 98.677; 90 | 1397.6 | Hirotsu, Masakazu; Sanou, Junhei; Nakae, Toyotaka; Matsunaga, Takumi; Kinoshita, Isamu Crystal structures and electrochemical properties of nickel(II) complexes with <i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>-tetradentate Schiff base ligands Acta Crystallographica Section E, 2022, 78 |
2244074 | CIF HKL | C14 H20 Cl2 F6 N3 Ni P S | P -1 | 8.725; 10.507; 11.316 98.065; 101.274; 96.15 | 997.6 | Hirotsu, Masakazu; Sanou, Junhei; Nakae, Toyotaka; Matsunaga, Takumi; Kinoshita, Isamu Crystal structures and electrochemical properties of nickel(II) complexes with <i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>-tetradentate Schiff base ligands Acta Crystallographica Section E, 2022, 78 |
2244075 | CIF HKL Paper | C17 H22 Br N3 O6 | P -1 | 7.738; 9.32; 13.949 94.46; 95.04; 104.71 | 964 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
2244076 | CIF HKL Paper | C17 H22 I N3 O6 | P -1 | 7.7652; 9.2852; 13.93 94.985; 95.331; 104.875 | 960.09 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
2244077 | CIF HKL Paper | C17 H21 N3 O6 | P -1 | 9.636; 10.301; 10.867 103.9; 108.32; 112.96 | 857.8 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
2244078 | CIF HKL Paper | C18 H23 N3 O5 | P -1 | 6.1136; 7.6965; 19.708 79.577; 87.162; 86.699 | 909.79 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
2244079 | CIF HKL Paper | C36 H44 N6 O11 | P 1 21/c 1 | 15.808; 7.5198; 31.02 90; 92.561; 90 | 3683.8 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
2244080 | CIF HKL Paper | C19 H23 N3 O5 | P -1 | 7.874; 9.263; 27.996 81.03; 85.675; 68.229 | 1872.8 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
2244081 | CIF HKL Paper | C14 H12 Br Cu N4 S2 | P 1 21/c 1 | 4.1549; 28.708; 13.2735 90; 95.564; 90 | 1575.8 | Chooto, Pipat; Saithong, Saowanit; Aemaeg, Weena; Vataporn, Siriwan; Pakawatchai, Chaveng; Innuphat, Chalermpol; Duangthong, Supunnee; Puetpaiboon, Walailak Syntheses, crystal structures and Hirshfeld surface analyses of bis(2-mercaptobenzimidazole)bromo- and iodocopper(I) complexes Acta Crystallographica Section E, 2022, 78 |
2244082 | CIF HKL Paper | C17 H18 Cu I N4 O S2 | P 1 21/c 1 | 4.5154; 22.2157; 20.4062 90; 94.818; 90 | 2039.8 | Chooto, Pipat; Saithong, Saowanit; Aemaeg, Weena; Vataporn, Siriwan; Pakawatchai, Chaveng; Innuphat, Chalermpol; Duangthong, Supunnee; Puetpaiboon, Walailak Syntheses, crystal structures and Hirshfeld surface analyses of bis(2-mercaptobenzimidazole)bromo- and iodocopper(I) complexes Acta Crystallographica Section E, 2022, 78 |
2244083 | CIF HKL Paper | C32 H56 N2 O3 | P 1 21/c 1 | 13.06508; 5.81242; 41.7384 90; 93.3315; 90 | 3164.25 | Khalilov, Ali N.; Khrustalev, Victor N.; Tereshina, Tatiana A.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 1-(<i>tert</i>-butylamino)-3-mesitylpropan-2-ol hemihydrate Acta Crystallographica Section E, 2022, 78, 525-529 |
2244084 | CIF HKL Paper | C14 H8 Br2 F N3 O2 | P 1 21/c 1 | 16.0658; 7.0329; 12.7934 90; 96.847; 90 | 1435.21 | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene Acta Crystallographica Section E, 2022, 78, 530-535 |
2244085 | CIF HKL Paper | C10 H9 Eu O7 | C 1 2/c 1 | 26.5184; 7.2632; 15.3622 90; 130.906; 90 | 2236.3 | Jittipiboonwat, Prakottakarn; Chuasaard, Thammanoon; Rujiwatra, Apinpus Crystal structure and photoluminescent properties of a new Eu^III^–phthalate–acetate coordination polymer Acta Crystallographica Section E, 2022, 78, 536-539 |
2244086 | CIF HKL Paper | C11 H15 N2 O4 P | P b c a | 13.229; 10.5551; 17.8346 90; 90; 90 | 2490.3 | Naeem, Marilyn; Sherwood, Alexander M.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The crystal structure of baeocystin Acta Crystallographica Section E, 2022, 78 |
2244087 | CIF HKL Paper | C20 H23 Br N6 O3 S2 | P 1 21/c 1 | 10.394; 26.2421; 8.986 90; 108.056; 90 | 2330.32 | Naghiyev, Farid N.; Khrustalev, Victor N.; Novikov, Anton P.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, Ibrahim G. Crystal structure and Hirshfeld surface analysis of 5-amino-5'-bromo-2'-oxo-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indoline]-6,8-dicarbonitrile dimethyl sulfoxide disolvate Acta Crystallographica Section E, 2022, 78 |
2244088 | CIF HKL Paper | C12 H14 N4 O9 S | P 1 21/c 1 | 8.7055; 25.9927; 13.6479 90; 91.864; 90 | 3086.6 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Perdih, Franc; Jegan Jennifer, Samson; Abdul Razak, Ibrahim Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions Acta Crystallographica Section E, 2022, 78 |
2244089 | CIF HKL Paper | C5 H7 Cl N4 O6 | P 1 21/c 1 | 5.0307; 20.386; 9.0181 90; 94.233; 90 | 922.34 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Perdih, Franc; Jegan Jennifer, Samson; Abdul Razak, Ibrahim Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions Acta Crystallographica Section E, 2022, 78 |
2244090 | CIF HKL Paper | C30 H19 N O | P 1 21/n 1 | 15.835; 7.0408; 37.245 90; 96.464; 90 | 4126.1 | Hsiao, Huan-Chang; Chen, Pei-Lin; Chuang, Shih-Ching Crystal structure and fluorescence of 1-[8-phenyl-9-(phenylethynyl)-4<i>H</i>-benzo[<i>def</i>]carbazol-4-yl]ethan-1-one Acta Crystallographica Section E, 2022, 78 |
2244091 | CIF HKL Paper | La Te1.9 | P 42/n :2 | 10.1072; 10.1072; 18.2874 90; 90; 90 | 1868.16 | Poddig, Hagen; Doert, Thomas LaTe~1.9~: a tenfold superstructure of the ZrSSi type Acta Crystallographica Section E, 2022, 78 |
2244092 | CIF HKL Paper | C32 H28 N2 O4 | P 1 21/c 1 | 13.9798; 11.8411; 15.7406 90; 91.901; 90 | 2604.21 | Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenylbutan-2-yl)-2-hydroxy-2-methyl-4-phenylcyclohexane-1,1-dicarbonitrile Acta Crystallographica Section E, 2022, 78 |
2244093 | CIF HKL Paper | C12 H12 O3 | P 1 21/c 1 | 15.5987; 13.0782; 11.0396 90; 109.063; 90 | 2128.6 | Assila, Hamza; Zaoui, Younes; Ameziane El Hassani, Issam; El Ghammarti, Samira; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-benzylidene-4-oxopentanoic acid Acta Crystallographica Section E, 2022, 78 |
2244094 | CIF HKL Paper | C30 H48 N4 O2 | P 1 2/c 1 | 11.4741; 7.677; 17.2226 90; 108.166; 90 | 1441.5 | Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael First hydrogen-bonded adduct of sterically hindered 2-<i>tert</i>-butyl-4-methylphenol (TBMP) with 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD) <i>via</i> coupling of classical hydrogen bonds and C—H···π non-covalent interactions Acta Crystallographica Section E, 2022, 78 |
2244095 | CIF HKL Paper | C21 H22 N2 O3 S | I 1 a 1 | 10.7979; 10.2238; 17.7316 90; 100.526; 90 | 1924.55 | Khrustalev, Victor N.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Kolesnik, Irina A.; Potkin, Vladimir I.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of <i>N</i>-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl}-1-phenyl-<i>N</i>-(prop-2-en-1-yl)methanesulfonamide Acta Crystallographica Section E, 2022, 78 |
2244096 | CIF HKL Paper | C26 H29 Br N2 O | P 1 21 1 | 11.2574; 8.8445; 11.9039 90; 110.126; 90 | 1112.85 | Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W. Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide Acta Crystallographica Section E, 2022, 78 |
2244097 | CIF HKL Paper | C26 H32 Br N2 O2.5 | P 41 21 2 | 9.9254; 9.9254; 47.1267 90; 90; 90 | 4642.62 | Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W. Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide Acta Crystallographica Section E, 2022, 78 |
2244098 | CIF HKL Paper | C19 H20 Cl2 N2 Pd S | P -1 | 9.2135; 9.406; 12.9032 79.866; 70; 67.753 | 971.17 | Butcher, Ray J.; Singh, Puspendra; Shabbani, Gulam Dichlorido(4-methylaniline-κ<i>N</i>)[<i>N</i>-(4-methylphenyl)-1-(thiophen-2-yl)methanimine-κ<i>N</i>]palladium(II) Acta Crystallographica Section E, 2022, 78, 1 |
2244099 | CIF HKL Paper | C17 H20 O4 | P 21 21 21 | 6.7641; 6.9254; 31.4538 90; 90; 90 | 1473.42 | Lu, Qiang-Qiang; Shi, Xin-Wei; Zhou, Ya-Fu; Cui, Xin-Ai; Wang, Hong Crystal structure and Hirshfeld analysis of (1a<i>S</i>,3a<i>R</i>,4a<i>S</i>,5a<i>R</i>)-15-acetoxylinden-7(11),8-trieno-12,8-lactone Acta Crystallographica Section E, 2022, 78, 1 |
2244100 | CIF HKL Paper | C5 H7 Br N4 O2 | P 1 21/c 1 | 4.8487; 18.4455; 9.0782 90; 94.808; 90 | 809.07 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Dhivya, Durairaj; Jegan Jennifer, Samson; Abdul Razak, Ibrahim A study of the crystal structures, supramolecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine Acta Crystallographica Section E, 2022, 78 |
2244101 | CIF HKL Paper | C5 H7 Br N4 O3 | P 1 21/c 1 | 4.9225; 22.7572; 7.5601 90; 103.003; 90 | 825.18 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Dhivya, Durairaj; Jegan Jennifer, Samson; Abdul Razak, Ibrahim A study of the crystal structures, supramolecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine Acta Crystallographica Section E, 2022, 78 |
2244102 | CIF HKL Paper | C22 H20 N2 O2 | C 1 2/c 1 | 25.3144; 9.25765; 15.6778 90; 97.8724; 90 | 3639.49 | Hebishy, Ali M. S.; Elgemeie, Galal H.; Ali, Rasha A. E.; Jones, Peter G. Crystal structure of 2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-4<i>H</i>-chromene-3-carbonitrile Acta Crystallographica Section E, 2022, 78 |
2244103 | CIF HKL Paper | C23 H16 N6 O3 | P 1 21/c 1 | 12.0085; 12.4719; 15.4909 90; 94.489; 90 | 2312.94 | Naghiyev, Farid N.; Khrustalev, Victor N.; Fortalnova, Elena A.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of methyl 4'-amino-3',5'-dicyano-2,2''-dioxodispiro[indoline-3,1'-cyclopentane-2',3''-indolin]-3'-ene-5'-carboximidate with an unknown solvent Acta Crystallographica Section E, 2022, 78 |
2244104 | CIF HKL Paper | C14 H26 Ni O14 | P b c a | 11.0812; 7.63258; 23.7986 90; 90; 90 | 2012.84 | Ruzmetov, Abror; Ibragimov, Aziz; Ashurov, Jamshid; Boltaeva, Zebo; Ibragimov, Bakhtiyar; Usmanov, Sultan Synthesis, crystal structure and Hirshfeld surface analysis of hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate Acta Crystallographica Section E, 2022, 78 |
2244105 | CIF HKL Paper | C4 H9 N7 O6 | P 1 21/c 1 | 7.865; 9.9173; 12.2291 90; 100.836; 90 | 936.86 | Dilshad, Sumra; Çınar, Emine Berrin; Ali, Arif; Ahmed, Adeeba; Alam, Mohd Jane; Ahmad, Musheer; Ahmad, Aiman; Dege, Necmi; Saif, Eiad Crystal structure and Hirshfeld surface analysis of 2,4,6-triaminopyrimidine-1,3-diium dinitrate Acta Crystallographica Section E, 2022, 78 |
2244106 | CIF HKL Paper | C18 H16 Cl N O2 S | P 1 21/c 1 | 6.6235; 25.1848; 9.8283 90; 96.504; 90 | 1628.92 | Guseinov, Firudin I.; Kobrakov, Konstantin I.; Shuvalova, Elena V.; Tuzharov, Egor I.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole Acta Crystallographica Section E, 2022, 78 |
2244107 | CIF HKL Paper | C36 H31 N O8 | C 1 2/c 1 | 18.7222; 9.787; 16.9398 90; 113.758; 90 | 2840.9 | Magrashi, Maryam Ali; Aazam, Elham Shafik The co-crystal 4,6-diacetylresorcinol–1-aminopyrene (2/1) Acta Crystallographica Section E, 2022, 78, 679-681 |
2244108 | CIF HKL Paper | C9 H10 Cl N O2 | P 1 21/c 1 | 10.0939; 9.6423; 10.2799 90; 115.531; 90 | 902.83 | Missioui, Mohcine; Guerrab, Walid; Nchioua, Intissar; El Moutaouakil Ala Allah, Abderrazzak; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of 2-chloro-<i>N</i>-(4-methoxyphenyl)acetamide Acta Crystallographica Section E, 2022, 78 |
2244109 | CIF HKL Paper | C22 H19 N O2 | P b c n | 20.8269; 9.09843; 9.0158 90; 90; 90 | 1708.42 | Naghiyev, Farid N.; Khrustalev, Victor N.; Safronenko, Marina G.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 2,2'-(phenylazanediyl)bis(1-phenylethan-1-one) Acta Crystallographica Section E, 2022, 78 |
2244110 | CIF HKL Paper | C20 H24 Br N O2 | P 1 21/c 1 | 21.1019; 9.01359; 10.03985 90; 96.1425; 90 | 1898.65 | Khalilov, Ali N.; Khrustalev, Victor N.; Fortalnova, Elena A.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-trimethylbenzyl)oxazolidin-2-yl]phenol Acta Crystallographica Section E, 2022, 78 |
2244111 | CIF HKL Paper | C18 H14 Cl2 N2 O2 Zn | P 1 21 1 | 8.5167; 7.8697; 13.1617 90; 94.89; 90 | 878.94 | Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide Acta Crystallographica Section E, 2022, 78 |
2244112 | CIF HKL Paper | C18 H14 Br2 N2 O2 Zn | P 1 21/c 1 | 16.3922; 7.3527; 15.5809 90; 97.113; 90 | 1863.5 | Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide Acta Crystallographica Section E, 2022, 78 |
2244113 | CIF HKL Paper | C18 H14 I2 N2 O2 Zn | P 1 21/c 1 | 16.7231; 7.6155; 15.8689 90; 97.192; 90 | 2005.08 | Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide Acta Crystallographica Section E, 2022, 78 |
2244114 | CIF HKL Paper | C32 H41 N3 O3 S Si | P -1 | 8.6752; 8.8765; 20.2299 78.107; 87.922; 89.512 | 1523.37 | Friedrich, Erik; Heinrich, Timo; Rosenberger, Lara; Krier, Mireille; Marek, Stephanie; Reggelin, Michael Synthesis and crystal structure of <i>rac</i>-2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methyl-<i>N</i>-phenyl-<i>N</i>'-(triisopropylsilyl)benzenesulfondiimidoate: the first member of a new substance class Acta Crystallographica Section E, 2022, 78 |
2244115 | CIF HKL Paper | C21 H16 N2 O5 | C 1 c 1 | 16.4968; 14.8697; 16.1836 90; 114.879; 90 | 3601.5 | Li, Chun; Weaver, Matthew J.; Campbell, Michael J.; Natale, Nicholas R. Syntheses and crystal structures of a nitro–anthracene–isoxazole and its oxidation product Acta Crystallographica Section E, 2022, 78 |
2244116 | CIF HKL Paper | C21 H17 N O5 | P 1 21/c 1 | 8.2862; 23.5895; 8.6219 90; 97.728; 90 | 1669.99 | Li, Chun; Weaver, Matthew J.; Campbell, Michael J.; Natale, Nicholas R. Syntheses and crystal structures of a nitro–anthracene–isoxazole and its oxidation product Acta Crystallographica Section E, 2022, 78 |
2244117 | CIF HKL Paper | C14 H8 Br3 N3 O2 | P n a 21 | 13.8678; 13.5442; 8.3017 90; 90; 90 | 1559.29 | Akkurt, Mehmet; Yıldırım, Sema Öztürk; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Niyazova, Ayten A.; Khrustalev, Victor N.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E, 2022, 78 |
2244118 | CIF HKL Paper | C26 H30 N2 O4 | P b c a | 19.998; 9.7472; 23.54 90; 90; 90 | 4588.5 | Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol Acta Crystallographica Section E, 2022, 78 |
2244119 | CIF HKL Paper | C26 H28 Mn N6 S2 | P b c n | 17.47811; 8.9357; 17.36177 90; 90; 90 | 2711.55 | Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II) Acta Crystallographica Section E, 2022, 78, 755-760 |
2244120 | CIF HKL | C26 H28 Fe N6 S2 | P b c n | 17.3733; 8.94119; 17.24862 90; 90; 90 | 2679.37 | Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II) Acta Crystallographica Section E, 2022, 78, 755-760 |
2244121 | CIF HKL Paper | La2 O24 Sr9 W4 | I 41/a :2 | 11.6365; 11.6365; 16.304 90; 90; 90 | 2207.69 | Simura, Rayko; Watanabe, Tomoki; Yamane, Hisanori Sr~9~La~2~(WO~6~)~4~ containing [WO~6~] octahedra Acta Crystallographica Section E, 2022, 78 |
2244122 | CIF HKL Paper | C27 H27 N O | P 1 21/n 1 | 14.416; 5.8569; 25.354 90; 96.116; 90 | 2128.5 | Liu, Xiaozhou; Wang, Lu; Feng, Ying; Cui, Deliang; Liu, Zhi Crystal structure of 8-hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline Acta Crystallographica Section E, 2022, 78 |
2244123 | CIF HKL Paper | Ba3 H12 O17 Se2 Sn | P 63 | 9.255; 9.255; 11.4441 90; 90; 120 | 848.92 | Reuter, Hans; Kamaha, Shouassi Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI) Acta Crystallographica Section E, 2022, 78 |
2244124 | CIF | C18 H20 N4 O8 | P -1 | 7.3729; 8.4842; 15.5411 88.954; 81.333; 89.352 | 960.85 | Subha, Veerappan; Seethalakshmi, Thangaraj; Balakrishnan, Thangavelu; Percino, M. Judith; Venkatesan, Perumal Crystal structure of 4-(2-methoxyphenyl)piperazin-1-ium 3,5-dintrosalicylate Acta Crystallographica Section E, 2022, 78 |
2244125 | CIF HKL Paper | C26 H40 Co2 N4 O22 | P -1 | 9.2008; 9.3137; 10.647 86.551; 79.378; 72.369 | 854.61 | Velazquez-Garcia, Jose de Jesus; Techert, Simone Synthesis and structure of hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt Acta Crystallographica Section E, 2022, 78 |
2244126 | CIF HKL Paper | C17 H15 F O2 | P c a 21 | 7.1426; 17.0566; 11.152 90; 90; 90 | 1358.63 | Bernhard, Merle; Lutter, Jacob C.; Predecki, Allison Crystal structure of (2<i>E</i>)-1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one Acta Crystallographica Section E, 2022, 78 |
2244127 | CIF HKL Paper | C31 H35 N O4 | P 1 21/n 1 | 10.443; 18.4563; 14.2378 90; 107.93; 90 | 2610.9 | Sughanya, V.; Loganathan, B.; Praveenkumar, D.; Ayyappan, J.; Sundararajan, M. L.; Prabhakaran, A.; Dhandapani, A.; Suresh Babu, N. Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione Acta Crystallographica Section E, 2022, 78 |
2244128 | CIF HKL Paper | C16 H10 N4 O2 S2 Zn | C 1 2/c 1 | 20.4223; 11.326; 7.4019 90; 98.31; 90 | 1694.11 | Pirimova, Mehribon; Torambetov, Batirbay; Kadirova, Shakhnoza; Ziyaev, Abdukhakim; Gonnade, Rajesh G.; Ashurov, Jamshid Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate Acta Crystallographica Section E, 2022, 78 |
2244129 | CIF HKL Paper | C27 H27 N13 O | P 1 21/c 1 | 8.9102; 13.5595; 22.052 90; 98.024; 90 | 2638.2 | Mahmudov, Ibadulla; Atioğlu, Zeliha; Akkurt, Mehmet; Abdullayev, Yusif; Sujayev, Afsun; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene)malononitrile dimethylformamide hemisolvate Acta Crystallographica Section E, 2022, 78 |
2244130 | CIF HKL Paper | C14 H8 Br3 N3 O2 | P b c a | 6.6579; 15.7683; 29.0301 90; 90; 90 | 3047.69 | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gülnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of a new polymorph of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E, 2022, 78 |
2244131 | CIF HKL Paper | C17 H21 N3 O5 | P -1 | 6.0768; 7.4427; 18.4737 78.894; 85.87; 83.668 | 813.77 | Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher Syntheses and crystal structures of 4-(4-nitrophenyl)piperazin-1-ium benzoate monohydrate and 4-(4-nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate Acta Crystallographica Section E, 2022, 78 |
2244132 | CIF HKL Paper | C17 H17 N5 O9 | P -1 | 7.9599; 8.5391; 14.2227 90.426; 105.273; 98.538 | 921.15 | Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher Syntheses and crystal structures of 4-(4-nitrophenyl)piperazin-1-ium benzoate monohydrate and 4-(4-nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate Acta Crystallographica Section E, 2022, 78 |
2244133 | CIF HKL Paper | C36 H30 Br2 N6 O3 | C 1 2/c 1 | 27.539; 6.343; 21.354 90; 118.17; 90 | 3288.3 | Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Tereshina, Tatiana A.; Khalilov, Ali N.; Akkurt, Mehmet; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile Acta Crystallographica Section E, 2022, 78 |
2244134 | CIF HKL Paper | C13 H9 N5 O | P -1 | 8.6444; 8.9104; 16.0902 79.196; 86.485; 69.003 | 1136.52 | Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Tereshina, Tatiana A.; Khalilov, Ali N.; Akkurt, Mehmet; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile Acta Crystallographica Section E, 2022, 78 |
2244135 | CIF HKL Paper | C48 H51.5 Fe2 N16 O12.75 S2 | P -1 | 9.9635; 14.4905; 20.1131 96.736; 101.49; 95.216 | 2806.5 | Petrenko, Yuliia P.; Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Gural'skiy, Il`ya A.; Shova, Sergiu; Lampeka, Rostyslav D.; Raspertova, Ilona V. Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate Acta Crystallographica Section E, 2022, 78 |
2244136 | CIF HKL Paper | C30 H50 N4 O4 | P 1 21/c 1 | 14.2508; 15.3046; 15.2593 90; 113.311; 90 | 3056.43 | Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika Synthesis and crystal structure of 1,3-bis{[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene Acta Crystallographica Section E, 2022, 78 |
2244137 | CIF HKL Paper | C23 H20 Cl2 N4 O3 S | P 1 21/c 1 | 14.8117; 10.7086; 15.1887 90; 112.417; 90 | 2227.1 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Alfayomy, Abdallah M.; Seri, Sahar M. Abou; Abdel-Raheem, Shaban A. A.; Ul-Malik, Mokhtar A. Abd Crystal structure and Hirshfeld surface analysis of ethyl (3<i>E</i>)-5-(4-chlorophenyl)-3-{[(4-chlorophenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate Acta Crystallographica Section E, 2022, 78 |
2244138 | CIF HKL Paper | C8 H7 F N4 O | P 1 21/c 1 | 10.8398; 19.0207; 9.3307 90; 112.378; 90 | 1778.93 | Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of 2-azido-<i>N</i>-(4-fluorophenyl)acetamide Acta Crystallographica Section E, 2022, 78, 855-859 |
2244139 | CIF HKL Paper | C21 H26 N2 O3 | P 1 21/c 1 | 14.5241; 10.0718; 13.271 90; 97.042; 90 | 1926.69 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdel-Rahman, Laila H.; Abdel-Hameed, Mohamed; Albayati, Mustafa R.; Al-Taif, Elham A. Crystal structure and Hirshfeld surface analysis of (±)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide Acta Crystallographica Section E, 2022, 78, 860-863 |
2244140 | CIF HKL Paper | C14 H13 N O4 | P 1 21/n 1 | 11.6407; 7.4412; 42.2828 90; 93.038; 90 | 3657.42 | Faraj, Imane; Oubella, Ali; Chkirate, Karim; Al Mamari, Khalil; Hökelek, Tuncer; Mague, Joel T.; El Ghayati, Lhoussaine; Sebbar, Nada Kheira; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and DFT calculations of (<i>E</i>)-3-[1-(2-hydroxyphenylanilino)ethylidene]-6-methylpyran-2,4-dione Acta Crystallographica Section E, 2022, 78, 864-870 |
2244141 | CIF HKL Paper | C24 H23.5 F N4 O4.25 S | P 1 21/c 1 | 14.4316; 10.8518; 15.594 90; 109.941; 90 | 2295.74 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Alfayomy, Abdallah M.; Ragab, Fatma A. F.; Abd ul-Malik, Mokhtar A. Crystal structure and Hirshfeld surface analysis of ethyl (3<i>E</i>)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate 0.25-hydrate Acta Crystallographica Section E, 2022, 78 |
2244142 | CIF HKL Paper | C11 H9 Br N2 O | P 1 21/c 1 | 7.5654; 11.4972; 12.1025 90; 105.583; 90 | 1013.99 | Tojiboev, Akmaljon; Elmuradov, Burkhon; Kattaev, Nuritdin; Abdurazakov, Asqar; Nasrullayev, Azizbek; Tashkhodjaev, Bakhodir Crystal structure, Hirshfeld surface analysis and DFT calculations of 7-bromo-2,3-dihydropyrrolo[2,1-<i>b</i>]quinazolin-9(1<i>H</i>)-one Acta Crystallographica Section E, 2022, 78 |
2244143 | CIF HKL Paper | C10 H10 Cl N5 O7 | P -1 | 8.3023; 10.0792; 10.1052 116.966; 105.481; 92.871 | 711.77 | Qiu, Qi-Ming; Song, Jian-Biao; Dong, Ai-Guo; Li, Chuan-Tao; Zheng, Zhi-Yuan Crystal structure of 4,4'-(diazenediyl)dipyridinium nitrate perchlorate Acta Crystallographica Section E, 2022, 78 |
2244144 | CIF HKL Paper | C9 H11 N5 O2 | P c a 21 | 24.367; 4.3979; 10.1424 90; 90; 90 | 1086.9 | Plutenko, Maksym O.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Potaskalov, Vadim A.; Kalibabchuk, Valentina A. Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide Acta Crystallographica Section E, 2022, 78 |
2244145 | CIF HKL Paper | C83.5 H96 B F15 N3 O P Ti | P -1 | 13.8643; 14.3017; 20.0502 86.4852; 80.0328; 73.6493 | 3756.9 | Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2) Acta Crystallographica Section E, 2022, 78 |
2244146 | CIF HKL | C72.5 H85 B F16 N4 Ti | P -1 | 12.1151; 13.2796; 21.1662 77.916; 88.8857; 87.9827 | 3327.5 | Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2) Acta Crystallographica Section E, 2022, 78 |
2244147 | CIF HKL Paper | C21 H22 N2 O4 | P 1 21/c 1 | 13.8608; 8.8352; 15.5411 90; 98.468; 90 | 1882.46 | Nchioua, Intissar; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2,6-dimethylphenyl)-2-[3-hydroxy-2-oxo-3-(2-oxopropyl)indolin-1-yl]acetamide Acta Crystallographica Section E, 2022, 78 |
2244148 | CIF HKL Paper | C36 H43 N O6 | P 1 21/c 1 | 27.091; 6.2408; 18.685 90; 90.975; 90 | 3158.6 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis and crystal structure of ebastinium hydrogen fumarate Acta Crystallographica Section E, 2022, 78 |
2244149 | CIF HKL Paper | C24 H19 N O | I 1 2/a 1 | 18.6588; 5.4739; 35.5689 90; 100.729; 90 | 3569.37 | Cheng, Dong; Meng, Xiang-Zhen; Tian, Fuyu; Yan, Dong; Wang, Xiaofei; Qian, Xueli; Wang, Junnan Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine Acta Crystallographica Section E, 2022, 78 |
2244150 | CIF HKL Paper | C37 H60 Cl N3 | P 1 21/n 1 | 12.253; 22.699; 12.884 90; 104.164; 90 | 3474.5 | Muñoz Sánchez, Gaby M.; Zdilla, Michael J. Crystal structure of <i>N</i>-butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate Acta Crystallographica Section E, 2022, 78 |
2244151 | CIF HKL Paper | C17 H14 Br N3 O4 | P b c a | 9.388; 12.226; 28.693 90; 90; 90 | 3293.3 | Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate Acta Crystallographica Section E, 2022, 78 |
2244152 | CIF HKL Paper | C19 H26 N2 O4 | P -1 | 7.4141; 12.3595; 19.9917 86.695; 83.654; 82.182 | 1802.1 | Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher Syntheses and crystal structures of 4-(4-methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate and bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate Acta Crystallographica Section E, 2022, 78 |
2244153 | CIF HKL Paper | C30 H38 N4 O6 | P n a 21 | 17.8424; 8.8124; 34.9337 90; 90; 90 | 5492.8 | Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher Syntheses and crystal structures of 4-(4-methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate and bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate Acta Crystallographica Section E, 2022, 78 |
2244154 | CIF HKL Paper | C7 H6 N4 O3 | C 1 2/c 1 | 15.3747; 4.6699; 23.0423 90; 103.122; 90 | 1611.2 | Irrou, Ezaddine; Elmachkouri, Younesse Ait; Oubella, Ali; Ouchtak, Hassan; Dalbouha, Samira; Mague, Joel T.; Hökelek, Tuncer; El Ghayati, Lhoussaine; Sebbar, Nada Kheira; Taha, Mohamed Labd Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)acetic acid Acta Crystallographica Section E, 2022, 78, 953-960 |
2244155 | CIF HKL Paper | C14 H26 Ni O20 S2 | P -1 | 6.5986; 7.4183; 13.2847 74.1712; 88.6035; 77.92 | 611.41 | Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep; Gianopoulos, Christopher G. Crystal structures of two new divalent transition-metal salts of carboxybenzenesulfonate anions Acta Crystallographica Section E, 2022, 78, 961-965 |
2244156 | CIF HKL Paper | C14 H26 Co O18 S2 | P -1 | 6.7774; 6.9866; 13.721 91.107; 90.401; 117.583 | 575.66 | Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep; Gianopoulos, Christopher G. Crystal structures of two new divalent transition-metal salts of carboxybenzenesulfonate anions Acta Crystallographica Section E, 2022, 78, 961-965 |
2244157 | CIF HKL Paper | B12 H10 O26 Rb6 | P n n m | 13.395; 9.251; 12.368 90; 90; 90 | 1532.6 | Qiu, Qi-Ming; Yan, Li; Song, Jian-Biao Crystal structure of Rb~6~[B~12~O~18~(OH)~6~]·2H~2~O Acta Crystallographica Section E, 2022, 78, 971-973 |
2244158 | CIF HKL Paper | C15 H12 F3 N O4 S | P 1 21/c 1 | 13.5689; 9.2906; 13.4358 90; 118.53; 90 | 1488.1 | Schinke, Jascha; Gelbrich, Thomas; Griesser, Ulrich J. Crystal structure, PIXEL calculations of intermolecular interaction energies and solid-state characterization of the herbicide isoxaflutole Acta Crystallographica Section E, 2022, 78 |
2244159 | CIF HKL Paper | B12 H3 K Mg2 O22 | P a -3 | 12.2966; 12.2966; 12.2966 90; 90; 90 | 1859.32 | Qiu, Qi-Ming; Song, Jian-Biao Crystal structure of MgK~0.5~[B~6~O~10~](OH)~0.5~·0.5H~2~O, poly[dimagnesium potassium bis(hexaborate) hydroxide monohydrate] Acta Crystallographica Section E, 2022, 78, 1003-1005 |
2244160 | CIF HKL Paper | C35 H22 Cl N O7 | P -1 | 8.0202; 9.8474; 19.4712 95.422; 94.693; 103.857 | 1477.66 | Selvanandan, S.; Anil kumar, H.; Srinivasa, H. T.; Palakshamurthy, B. S. Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate Acta Crystallographica Section E, 2022, 78 |
2244161 | CIF HKL Paper | C12 H13 N3 O S | I 1 a 1 | 8.1644; 15.9237; 9.6936 90; 106.661; 90 | 1207.33 | Mutalliev, Lukmonjon Z.; Abdullaev, Sirojiddin; Pirnazarova, Nasiba; Obidova, Ibodat; Turgunov, Kambarali; Yakubov, Ubaydullo; Ashurov, Jamshid M.; Elmuradov, Burkhan Zh.; Mamadrakhimov, Azimjon A. Synthesis, crystal structure and Hirshfeld surface analysis of (1<i>H</i>-benzimidazol-2-yl)(morpholin-4-yl)methanethione Acta Crystallographica Section E, 2022, 78 |
2244162 | CIF HKL Paper | C8 H5 N S3 | P -1 | 5.7955; 7.3789; 10.0344 89.459; 89.719; 78.956 | 421.15 | Schriver, Melbourne J.; George, Tanner; Masuda, Jason D. Synthesis and crystal structure of 3-phenyl-1,4,2-dithiazole-5-thione Acta Crystallographica Section E, 2022, 78 |
2244163 | CIF HKL Paper | C17 H21 F N2 O3 | P -1 | 6.239; 7.496; 17.817 93.55; 92.94; 94.87 | 827.3 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244164 | CIF HKL | C17 H21 Br N2 O3 | P 1 21/c 1 | 6.183; 37.748; 7.506 90; 93.69; 90 | 1748.2 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244165 | CIF HKL | C17 H19 I N2 O2 | P 1 21/c 1 | 10.8507; 23.4045; 13.3019 90; 102.491; 90 | 3298.13 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244166 | CIF HKL | C17 H19 N3 O4 | P 1 21/c 1 | 13.0683; 15.7868; 7.9255 90; 95.137; 90 | 1628.52 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244167 | CIF HKL | C17 H18 N4 O7 | P 1 21/c 1 | 7.779; 7.411; 31.357 90; 96.82; 90 | 1794.9 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244168 | CIF HKL | C17 H18 N4 O6 | P -1 | 5.707; 12.505; 13.116 97.41; 93.28; 102.82 | 901.5 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244169 | CIF HKL | C16 H17 N5 O7 | P 1 21/c 1 | 8.517; 6.825; 30.265 90; 95.33; 90 | 1751.7 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244170 | CIF HKL | C17 H22 N2 O3 | P 1 21/c 1 | 6.202; 34.573; 7.596 90; 93.83; 90 | 1625.1 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244171 | CIF HKL | C17 H22 N2 O3 S | P 1 21 1 | 8.325; 10.949; 18.418 90; 92.67; 90 | 1677 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244172 | CIF HKL | C14 H22 N2 O7 | P 21 21 21 | 7.1185; 7.5255; 29.955 90; 90; 90 | 1604.7 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244173 | CIF HKL | C14 H18 N2 O4 | P c a 21 | 26.702; 7.9626; 6.7571 90; 90; 90 | 1436.68 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
2244174 | CIF HKL Paper | C22 H34 N2 O5 | P 1 21/c 1 | 7.9531; 13.4224; 21.2015 90; 92.484; 90 | 2261.1 | Naeem, Marilyn; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diisopropyltryptamine Acta Crystallographica Section E, 2022, 78 |
2244175 | CIF HKL Paper | C23 H36 N2 O5 | P 1 21/c 1 | 8.0087; 13.7968; 21.878 90; 90.749; 90 | 2417.2 | Naeem, Marilyn; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diisopropyltryptamine Acta Crystallographica Section E, 2022, 78 |
2244176 | CIF HKL Paper | C15 H14 N2 O3 | P 1 n 1 | 4.5017; 14.047; 10.567 90; 96.3; 90 | 664.2 | Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate Acta Crystallographica Section E, 2022, 78 |
2244177 | CIF HKL Paper | C15 H13 Br N2 O3 | P 1 21/c 1 | 27.904; 11.1207; 9.0648 90; 94.485; 90 | 2804.3 | Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate Acta Crystallographica Section E, 2022, 78 |
2244178 | CIF HKL Paper | C17 H17 N3 O3 | P n a 21 | 18.7779; 10.0699; 15.7288 90; 90; 90 | 2974.18 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K Acta Crystallographica Section E, 2022, 78 |
2244179 | CIF HKL Paper | C17 H17 Br N2 O | P 1 21 1 | 7.5162; 6.1125; 15.7249 90; 98.625; 90 | 714.28 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K Acta Crystallographica Section E, 2022, 78 |
2244180 | CIF HKL Paper | C19 H26 Cl N Si | P 1 21/n 1 | 9.732; 19.0598; 10.9186 90; 110.526; 90 | 1896.7 | Schwab, Christoph; Voss, Andreas; Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of <i>N-</i>{[diphenyl(vinyl)silyl]methyl}-2-methylpropan-2-ammonium chloride Acta Crystallographica Section E, 2022, 78 |
2244181 | CIF HKL Paper | C16 H13 Au Cl P S | P 21 21 21 | 10.0322; 12.0784; 12.9412 90; 90; 90 | 1568.1 | Neils, Thomas; LaDuca, Andrew; Bender, John E.; Staples, Richard J.; Biros, Shannon M. Crystal structure of chlorido[diphenyl(thiophen-2-yl)phosphine-κ<i>P</i>]gold(I) Acta Crystallographica Section E, 2022, 78 |
2244182 | CIF HKL Paper | C12 H13 N3 | P n a 21 | 13.4639; 7.8555; 20.1288 90; 90; 90 | 2128.94 | Collis, Gavin; Bilyk, Alex; Kazanori, Ueno; Forsyth, Craig M. Intermolecular hydrogen bonding in <i>N</i>-methyl-<i>N</i>'-(pyridin-2-yl)benzene-1,2-diamine Acta Crystallographica Section E, 2022, 78 |
2244183 | CIF HKL Paper | C36 H39 Cl3 N8 O2 | I 4/m | 17.305; 17.305; 26.04 90; 90; 90 | 7798 | van der Peet, Phillip L.; Joyce, Rohan D.; Ott, Holger; Marcuccio, Sebastian M.; White, Jonathan M.; Williams, Spencer J. Synthesis and structure of clozapine <i>N</i>-oxide hemi(hydrochloride): an infinite hydrogen-bonded poly[<i>n</i>]catenane Acta Crystallographica Section E, 2022, 78 |
2244184 | CIF HKL Paper | C13 H16 O3 | P -1 | 4.5931; 8.9134; 15.0764 74.808; 85.309; 77.43 | 581.18 | Cattey, Hélène; Boni, Gilles; Pourchet, Sylvie; Plasseraud, Laurent Crystal structure of the monoglycidyl ether of isoeugenol Acta Crystallographica Section E, 2022, 78 |
2244192 | CIF HKL Paper | C22 H27 N O4 | P -1 | 7.2941; 9.6773; 14.4302 82.1992; 88.3216; 75.9397 | 978.92 | Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R. Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives Acta Crystallographica Section E, 2022, 78 |
2244193 | CIF HKL Paper | C22 H27 N O4 | P 1 21/n 1 | 15.3492; 14.0314; 18.3862 90; 90.0834; 90 | 3959.8 | Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R. Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives Acta Crystallographica Section E, 2022, 78 |
2244194 | CIF HKL Paper | C21 H25 N O5 | P 1 21/n 1 | 9.2745; 22.1655; 11.3475 90; 108.201; 90 | 2216.03 | Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R. Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives Acta Crystallographica Section E, 2022, 78 |
2244195 | CIF HKL Paper | C16 H17 N5 Ni S2 | C 1 2/c 1 | 18.2934; 11.7472; 9.7341 90; 117.043; 90 | 1863.11 | Näther, Christian; Jess, Inke; Krebs, Christoph Synthesis, crystal structure and properties of <i>catena</i>-poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate] Acta Crystallographica Section E, 2022, 78 |
2244196 | CIF HKL Paper | C38 H38 Fe N12 O2 | A e a 2 | 12.6854; 26.315; 10.6511 90; 90; 90 | 3555.5 | Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym Crystal structure of bis{3-(3,4-dimethylphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate Acta Crystallographica Section E, 2022, 78 |
2244197 | CIF Paper | C5 H6 O3 | P 1 21/m 1 | 3.8283; 10.972; 6.1096 90; 93.523; 90 | 256.14 | Chandrasekaran, Chandru P.; Donahue, James P. Crystal structure of 4,5-dimethyl-1,3-dioxol-2-one Acta Crystallographica Section E, 2022, 78 |
2244198 | CIF HKL Paper | C8 H8 O2 S2 | P c a 21 | 10.7521; 5.5245; 14.48 90; 90; 90 | 860.1 | Kellou, Sabah; Brihi, Ouarda; Chetioui, Souheyla; Salah Eddine, Lemallem; Abdelali, Fiala; Boudjada, Ali Synthesis and crystal structure of 2-(1,3-dithietan-2-ylidene)cyclohexane-1,3-dione Acta Crystallographica Section E, 2022, 78 |
2244199 | CIF HKL Paper | C8 H7 Cl O2 | P 1 21/n 1 | 4.9172; 12.7016; 11.8573 90; 96.294; 90 | 736.1 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Vinaya; Shankara Prasad, Holehundi J.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis and crystal structure of 2-chloro-1-(3-hydroxyphenyl)ethanone Acta Crystallographica Section E, 2022, 78 |
2244200 | CIF HKL Paper | C36 H32 Br2 Fe N12 O4 | P n a 21 | 27.4318; 12.6723; 10.6434 90; 90; 90 | 3699.9 | Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym Crystal structure of bis{3-(3-bromo-4-methoxyphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II) methanol disolvate Acta Crystallographica Section E, 2022, 78, 1138-1142 |
2244201 | CIF HKL Paper | C30 H42 N4 O2 | P b c a | 12.0297; 14.6357; 32.763 90; 90; 90 | 5768.4 | Pollock, Alicia A.; Huther, Holly A.; Birch, Cole M.; Reinheimer, Eric W.; Lewis, David E.; Gerlach, Deidra L. Crystal structure of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione Acta Crystallographica Section E, 2022, 78 |
2244202 | CIF HKL Paper | C12 H16 Cu N6 O12 | P 1 21/c 1 | 5.4741; 22.5679; 7.6478 90; 92.286; 90 | 944.05 | Kamolov, Sanjar; Babaev, Bakhrom; Ibragimov, Aziz; Yakubov, Yuldash; Abdullaev, Akhrorjon; Ibragimov, Bakhtiyar; Ashurov, Jamshid Synthesis, structure and Hirshfeld surface analysis of diaquadinitratobis(4-nitroaniline)copper(II) Acta Crystallographica Section E, 2022, 78 |
2244203 | CIF HKL Paper | C34 H26 Cl4 Fe N12 O2 | P n n a | 10.4669; 26.589; 12.8313 90; 90; 90 | 3571 | Znovjyak, Kateryna; Seredyuk, Maksym; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu Crystal structure of bis{3-(3,5-dichlorophenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate Acta Crystallographica Section E, 2022, 78 |
2244204 | CIF HKL Paper | C46 H42 N4 Ni O4 | P -1 | 4.6914; 13.0677; 16.9923 68.441; 83.739; 88.032 | 963.05 | Banna, Md. Hasan Al; Howlader, Md. Belayet Hossain; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio Crystal structure of bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II) Acta Crystallographica Section E, 2022, 78, 1081-1083 |
2244205 | CIF Paper | C12 H19 N3 O8 S | P 21 21 21 | 7.9857; 9.0145; 22.1621 90; 90; 90 | 1595.39 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K Acta Crystallographica Section E, 2022, 78, 984-988 |
2244206 | CIF Paper | C12 H19 N3 O8 S | P 21 21 21 | 8.0717; 9.1135; 22.506 90; 90; 90 | 1655.6 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K Acta Crystallographica Section E, 2022, 78, 984-988 |
2244207 | CIF HKL Paper | C30 H40 N6 Ni O2 S2 | C 1 2/c 1 | 18.5763; 11.6179; 15.8998 90; 97.448; 90 | 3402.51 | Krebs, Christoph; Jess, Inke; Näther, Christian Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2022, 78, 993-998 |
2244208 | CIF HKL Paper | C30 H34 N8 Ni S2 | C 1 2/c 1 | 18.799; 11.3033; 15.8639 90; 96.825; 90 | 3347.04 | Krebs, Christoph; Jess, Inke; Näther, Christian Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2022, 78, 993-998 |
2244209 | CIF HKL Paper | C30 H38 N6 Ni O S2 | P 1 21/n 1 | 10.2275; 25.0468; 12.718 90; 94.6; 90 | 3247.4 | Krebs, Christoph; Jess, Inke; Näther, Christian Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2022, 78, 993-998 |
2244210 | CIF Paper | C7 H13 N O3 | P 1 21/n 1 | 6.0404; 8.6114; 17.611 90; 98.771; 90 | 905.35 | El Mestehdi, Aly Dawa; Abba, Moctar; El Housseine, Mohamed Lemine; Ould Hadou, Abderrahmane; Barry, Aliou Hamady; Ould Elemine, Brahim; Jelsch, Christian; Gaye, Mohamed Synthesis, crystal structure and Hirshfeld surface analysis of <i>tert</i>-butyl <i>N</i>-acetylcarbamate Acta Crystallographica Section E, 2022, 78, 1072-1076 |
2244211 | CIF HKL Paper | C17 H18 O3 | P 1 21 1 | 16.1906; 7.5752; 17.7591 90; 95.36; 90 | 2168.6 | Banna, Md. Hasan Al; Ansary, Md. Rezaul Haque; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio Crystal structure of ethyl 4-[(4-methylbenzyl)oxy]benzoate Acta Crystallographica Section E, 2022, 78, 1077-1080 |
2244212 | CIF HKL Paper | C17 H18 F N5 O2 | P -1 | 7.694; 15.013; 15.281 71.04; 77.874; 87.78 | 1631.3 | Richter, Adrian; Goddard, Richard; Schönefeld, Roy; Imming, Peter; Seidel, Rüdiger W. Structural characterization and antimycobacterial evaluation of a benzimidazole analogue of the antituberculosis clinical drug candidate TBA-7371 Acta Crystallographica Section E, 2022, 78 |
2244213 | CIF HKL Paper | C72 H112 Dy Mn4 N8 Na O28 | P 4/n :2 | 18.2654; 18.2654; 13.4219 90; 90; 90 | 4477.9 | Aziz, Ozha A.; Zeller, Matthias; Zaleski, Curtis M. Crystal structure of a heterotrimetallic 12-metallacrown-4 with 2-propylvalerate anion bridges Acta Crystallographica Section E, 2022, 78 |
2244214 | CIF HKL Paper | C28 H21 F N2 O7 S | P -1 | 8.1589; 12.2053; 12.9129 101.569; 93.086; 92.481 | 1256 | Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K. Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole Acta Crystallographica Section E, 2022, 78 |
2244215 | CIF HKL Paper | C25 H16 N2 O2 S | P 1 21/n 1 | 10.142; 12.097; 16.2218 90; 104.846; 90 | 1923.8 | Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K. Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole Acta Crystallographica Section E, 2022, 78 |
2244216 | CIF HKL Paper | C23 H92 Fe4 Li6 N23 Se8 | P -1 | 11.495; 11.665; 22.233 92.885; 92.383; 103.51 | 2890.7 | Fuss, Friederike; Thiele, Günther [Li~6~(C~2~N~2~H~8~)~11.5~][Fe~4~Se~8~]: the first lithium-containing chalcogenidotetraferrate synthesized in solution Acta Crystallographica Section E, 2022, 78 |
2244217 | CIF HKL Paper | C72 H88 Cu2 N4 O16 | P 1 21/n 1 | 15.542; 14.001; 16.3217 90; 94.791; 90 | 3539.25 | Chong, Magdalene W. S.; Ottoboni, Sara; Martin, Alan R. G.; Bowering, Deborah; Price, Chris J.; Nordon, Alison; Oswald, Iain D. H.; Ward, Martin R. Crystal structure of a copper–mefenamate complex solvated with diglyme and water Acta Crystallographica Section E, 2022, 78 |
2244218 | CIF HKL Paper | C14 H10 S2 | P b c a | 7.84; 16; 18.51 90; 90; 90 | 2322 | Brown, Loren C.; Ghiassi, Kamran B.; Fulton, Ashley C.; Thum, Matthew Crystal structure of dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione Acta Crystallographica Section E, 2022, 78 |
2300689 | CIF HKL | Al63.643 Cr10 Cu18.381 | P 63 | 10.9995; 10.9995; 12.698 90; 90; 120 | 1330.5 | Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase Journal of Applied Crystallography, 2022, 55, 74-79 |
2300690 | CIF | Ca2.86 H7.67 O10.92 Si2.2 | P 1 | 200; 3.675; 100 90; 90; 90 | 73500 | Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried Structure modeling and quantitative X-ray diffraction of C-(A)-S-H Journal of Applied Crystallography, 2022, 55 |
2300692 | CIF HKL Paper | C42 H93 F21 N18 O32 Pr4 | C 1 2/c 1 | 27.6254; 12.7853; 23.5496 90; 98.4791; 90 | 8226.8 | Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution Journal of Applied Crystallography, 2022, 55, 890-900 |
2300693 | CIF HKL Paper | C4 Co Sc3 | C 1 2/m 1 | 5.53; 11.9606; 5.535 90; 104.508; 90 | 354.42 | Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale Journal of Applied Crystallography, 2022, 55 |
2300694 | CIF HKL Paper | C4 Co Sc3 | C 1 2/m 1 | 5.5124; 11.9341; 5.5167 90; 104.413; 90 | 351.5 | Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale Journal of Applied Crystallography, 2022, 55 |
2300705 | CIF | H8 Mg6 O18 Si4 | C 1 c 1 | 5.3418; 9.1166; 14.697 90; 93.91; 90 | 714.06 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
2300706 | CIF | H8 Mg4 Ni2 O18 Si4 | C 1 c 1 | 5.3444; 9.1074; 14.7086 90; 94.18; 90 | 714.02 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
2300707 | CIF | H8 Mg3 Ni3 O18 Si4 | C 1 c 1 | 5.3406; 9.0991; 14.7019 90; 94.44; 90 | 712.29 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
2300708 | CIF | H8 Mg2 Ni4 O18 Si4 | C 1 c 1 | 5.3415; 9.1095; 14.6976 90; 94.31; 90 | 713.14 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
2300709 | CIF | H8 Ni6 O18 Si4 | C 1 c 1 | 5.3411; 9.0924; 14.6494 90; 94.86; 90 | 708.87 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
2300726 | CIF HKL | Fe2 Mn3 Si3 | P 63/m c m | 6.8534; 6.8534; 4.7556 90; 90; 120 | 193.441 | Ait Haddouch, Mohammed; Abboushi, Nour; Sharma, Neetika; Eich, Andreas; Grzechnik, Andrzej; Li, Cheng; Tolkiehn, Martin; Alsamamra, Husain; Voigt, Jörg; Friese, Karen Site dependence of the magnetocaloric effect in Mn<sub>5-<i>x</i></sub> Fe <sub><i>x</i></sub> Si<sub>3</sub>. Journal of applied crystallography, 2022, 55, 1164-1172 |
2312028 | CIF | C24 H22 N2 O3 | R -3 :H | 49.85; 49.85; 4.9234 90; 90; 120 | 10596 | Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma Acta Crystallographica Section D, 2022, 78 |
2312029 | CIF | C16 H20 O3 | P c a 21 | 29.189; 5.5877; 8.686 90; 90; 90 | 1416.7 | Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma Acta Crystallographica Section D, 2022, 78 |
2312083 | CIF HKL Paper | C18 H42 O21 | P 21 21 21 | 8.8921; 12.2495; 23.798 90; 90; 90 | 2592.2 | Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 743-748 |
2312084 | CIF HKL Paper | C18 H40 O20 | P 21 21 21 | 8.987; 12.3973; 23.528 90; 90; 90 | 2621.4 | Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 743-748 |
2312085 | CIF HKL Paper | C10 H12 N2 O4 S | P 1 21/n 1 | 8.6173; 14.6662; 9.4885 90; 108.075; 90 | 1140.01 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
2312086 | CIF HKL Paper | C11 H14 N2 O4 S | P 1 21/n 1 | 8.6881; 15.0266; 9.8337 90; 106.526; 90 | 1230.8 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
2312087 | CIF HKL Paper | C14 H12 N2 O4 S | P 1 21/n 1 | 7.4701; 23.6743; 7.8614 90; 94.989; 90 | 1385.02 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
2312088 | CIF HKL Paper | C10 H14 N2 O2 S | P 1 21/c 1 | 16.399; 7.9485; 18.376 90; 113.907; 90 | 2189.8 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
2312089 | CIF HKL Paper | C11 H16 N2 O2 S | P b c a | 11.1747; 10.485; 20.1368 90; 90; 90 | 2359.36 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
2312090 | CIF HKL Paper | C14 H14 N2 O2 S | P 1 21/n 1 | 9.799; 10.2612; 13.201 90; 100.682; 90 | 1304.4 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
2312091 | CIF HKL Paper | C25 H20 Cu N4 O8 | P -1 | 10.4795; 11.1326; 12.1768 101.393; 105.793; 115.958 | 1143.78 | Bhat, Satish Shantaram; Kawade, Vitthal A.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore Synthesis, crystal structure and biological properties of a fluorophore-labelled mixed-ligand copper(II) complex incorporating N-hydroxynaphthalene-1,8-dicarboximide. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 755-759 |
2312092 | CIF HKL Paper | Cl H2 K O | P 1 21/n 1 | 5.687; 6.3969; 8.447 90; 107.08; 90 | 293.7 | Yamashita, Keishiro; Komatsu, Kazuki; Kagi, Hiroyuki Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 749-754 |
2312153 | CIF HKL Paper | C28 H20 Cl N4 P Te | P 1 21/n 1 | 18.2538; 7.3008; 20.0497 90; 106.867; 90 | 2557.02 | Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. <sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523 |
2312154 | CIF HKL Paper | C12 H20 Cl N4 P Te | P -1 | 6.95; 9.5921; 13.604 102.427; 101.89; 91.876 | 863.8 | Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. <sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523 |
2312155 | CIF HKL Paper | C14 H6 N8 O2 Se2 | P 1 21/c 1 | 6.2634; 7.4089; 18.32 90; 96.42; 90 | 844.8 | Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. <sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523 |
3000196 | CIF HKL | C10 H20 N10 O9 S Zn | P 1 21/c 1 | 7.5409; 21.4401; 11.7364 90; 91.352; 90 | 1896.99 | José Manuel Méndez-Arriaga; Erika Rubio-Mirallas; Miguel Quirós; Manuel Sánchez-Moreno Zinc 1,2,4-triazolo[1,5-a]pyrimidine Complexes: Synthesis, Structural Characterization and their Effect Against Chagas Disease. Medicinal chemistry (Shariqah (United Arab Emirates)), 2022, 18, 444-451 |
3000300 | CIF | B4 Co10.3 Hf1.7 O20 | P b a m | 9.42623; 12.3374; 3.09543 90; 90; 90 | 359.984 | Mariano, D.L.; Heringer, M.A.V.; Freitas, D.C.; Andrade,V.M.; Saitovitch,E.B.; Continentino, M.A.; Ghivelder, L.; Passamani, E.C.; Sanchez, D.R. 'Metamagnetic transitions induced by doping with non-magnetic 4+ ions in ludwigites Co5A(BO5)2 (A=Zr and Hf)' Journal of Alloys and Compounds, 2022, 890, 161717 |
3000301 | CIF | B4 Co10.33 O20 Zr1.67 | P b a m | 9.41497; 12.33136; 3.09365 90; 90; 90 | 359.171 | Mariano, D.L.; Heringer, M.A.V.; Freitas, D.C.; Andrade,V.M.; Saitovitch,E.B.; Continentino, M.A.; Ghivelder, L.; Passamani, E.C.; Sanchez, D.R. 'Metamagnetic transitions induced by doping with non-magnetic 4+ ions in ludwigites Co5A(BO5)2 (A=Zr and Hf)' Journal of Alloys and Compounds, 2022, 890, 161717 |
3000327 | CIF | Fe3 O4 | F d -3 m :2 | 8.39912; 8.39912; 8.39912 90; 90; 90 | 592.518 | Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distribution function of relaxation times (DFRTs) analyses Scientific Reports, 2022, 4851 |
3000328 | CIF | Fe3 O4 | P b c m | 2.8202; 9.4378; 9.382 90; 90; 90 | 249.716 | Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses Scientific Reports, 2022, 4851 |
3000344 | CIF | O2 V | P 1 21/c 1 | 5.752316; 4.525392; 5.382368 90; 122.611; 90 | 118.022 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000345 | CIF | O2 V0.989 W0.011 | P 1 21/c 1 | 5.756886; 4.528684; 5.383653 90; 122.586; 90 | 118.263 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000346 | CIF | O2 V0.973 W0.027 | P 1 21/c 1 | 5.765868; 4.531848; 5.384223 90; 122.645; 90 | 118.465 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000347 | CIF | O V0.488 W0.012 | P 42/m n m | 4.554985; 4.554985; 2.854296 90; 90; 90 | 59.221 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000348 | CIF | O2 V0.957 W0.043 | P 1 21/c 1 | 5.740803; 4.593496; 5.356922 90; 122.28; 90 | 119.431 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000349 | CIF | O V0.481 W0.019 | P 42/m n m | 4.55898; 4.55898; 2.856885 90; 90; 90 | 59.378 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000350 | CIF | O V0.468 W0.032 | P 42/m n m | 4.56274; 4.56274; 2.863021 90; 90; 90 | 59.604 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000351 | CIF | O V0.455 W0.045 | P 42/m n m | 4.566021; 4.566021; 2.868822 90; 90; 90 | 59.811 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000352 | CIF | O V0.448 W0.052 | P 42/m n m | 4.569537; 4.569537; 2.87232 90; 90; 90 | 59.976 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000353 | CIF | O V0.425 W0.075 | P 42/m n m | 4.572685; 4.572685; 2.878604 90; 90; 90 | 60.19 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000354 | CIF HKL | O V0.462 W0.038 | P 42/m n m | 4.56124; 4.56124; 2.88795 90; 90; 90 | 60.0835 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000355 | CIF HKL | O V0.453 W0.047 | P 42/m n m | 4.56631; 4.56631; 2.88937 90; 90; 90 | 60.247 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000356 | CIF HKL | O V0.433 W0.067 | P 42/m n m | 4.57222; 4.57222; 2.8669 90; 90; 90 | 59.9331 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000362 | CIF | O2 V0.992 W0.008 | P 1 | 5.70293; 4.55591; 5.39085 90; 122.337; 90 | 118.343 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000363 | CIF | O2 V0.992 W0.008 | P 1 | 4.54028; 4.54028; 2.86067 90; 90; 90 | 58.97 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000364 | CIF | O2 V0.975 W0.025 | P 1 | 5.77225; 4.54015; 5.40157 90; 122.914; 90 | 118.836 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000365 | CIF | O2 V0.975 W0.025 | P 1 | 4.5539; 4.5539; 2.85868 90; 90; 90 | 59.283 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000366 | CIF | O2 V0.964 W0.036 | P 1 | 4.55959; 4.55959; 2.85856 90; 90; 90 | 59.429 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000367 | CIF | O2 V0.937 W0.063 | P 1 | 4.56377; 4.56377; 2.86364 90; 90; 90 | 59.644 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000368 | CIF | O2 V0.911 W0.089 | P 1 | 4.56774; 4.56774; 2.86988 90; 90; 90 | 59.878 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000369 | CIF | O2 V0.896 W0.104 | P 1 | 4.5719; 4.5719; 2.87401 90; 90; 90 | 60.073 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000370 | CIF | O2 V0.85 W0.15 | P 1 | 4.57297; 4.57297; 2.87908 90; 90; 90 | 60.207 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000375 | CIF | O2 Sc0.005 V0.995 | P 1 21/c 1 | 5.755932; 4.528083; 5.385573 90; 122.606; 90 | 118.244 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000376 | CIF | O2 Sc0.007 V0.993 | P 1 21/c 1 | 5.755554; 4.527687; 5.384285 90; 122.593; 90 | 118.214 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000377 | CIF | O2 Sc0.003 V0.997 | P 1 21/c 1 | 5.756384; 4.528615; 5.386136 90; 122.617; 90 | 118.265 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000378 | CIF | O2 Sc0.018 V0.982 | P 1 21/c 1 | 5.754162; 4.527055; 5.384134 90; 122.603; 90 | 118.153 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000379 | CIF | O2 Sc0.021 V0.979 | P 1 21/c 1 | 5.755693; 4.527684; 5.383801 90; 122.585; 90 | 118.217 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000380 | CIF | O2 Sc0.015 V0.985 | P 1 21/c 1 | 5.756596; 4.528448; 5.386749 90; 122.613; 90 | 118.284 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000381 | CIF | O2 Sc0.047 V0.953 | P 1 21/c 1 | 5.755818; 4.52814; 5.384144 90; 122.582; 90 | 118.243 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000382 | CIF | Cr0.005 O2 V0.995 | P 1 21/c 1 | 5.753169; 4.526911; 5.381891 90; 122.588; 90 | 118.1 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000383 | CIF | Cr0.02 O4 V1.98 | C 1 2/m 1 | 9.065126; 5.767309; 4.522985 90; 91.1962; 90 | 236.416 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000384 | CIF | Cr0.06 O4 V1.94 | C 1 2/m 1 | 9.064784; 5.791293; 4.526692 90; 91.9246; 90 | 237.503 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000395 | CIF HKL | C10 H26 Cl4 N4 O2 Pt2 | C 1 2/c 1 | 19.3247; 8.8795; 12.7062 90; 108.332; 90 | 2069.65 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
3000396 | CIF HKL | C5 H15 Cl3 N2 O2 Pt | P 1 21/c 1 | 17.4485; 13.007; 11.9676 90; 108.578; 90 | 2574.55 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
3000397 | CIF HKL | C5 H12 Cl3 N2 Pt | C 1 2/c 1 | 37.154; 5.9294; 21.808 90; 105.654; 90 | 4626.1 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
3000398 | CIF HKL | C14 H14 Cl2 N2 O2 Pt | P -1 | 4.1881; 9.4591; 10.1852 102.793; 91.304; 100.914 | 385.478 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
3000405 | CIF | Ge4 Mn4 Tb2 | I 4/m m m | 3.98329; 3.98329; 10.83074 90; 90; 90 | 171.847 | Shuai Huang Personal communication to COD, 2022 |
3000407 | CIF | C39 H40 N2 O3 S2 | P 1 21/c 1 | 22.4116; 18.4777; 17.2409 90; 106.899; 90 | 6831.4 | Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches Chemistry – A European Journal, 2022 |
3000408 | CIF | C47 H44 N2 O3 S4 | P -1 | 11.4921; 16.4689; 24.1238 94.468; 93.849; 109.226 | 4277.1 | Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches Chemistry – A European Journal, 2022 |
3000409 | CIF | C55 H48 N2 O3 S6 | C 1 2/c 1 | 16.1211; 24.605; 27.4779 90; 106.823; 90 | 10432.9 | Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches Chemistry – A European Journal, 2022 |
3000415 | CIF | C19 H20 O6 | P 21 21 21 | 6.4; 9.9684; 25.9394 90; 90; 90 | 1654.88 | Phansuang Udomputtimekakul Personal communication to COD, 2022 |
3000419 | CIF | Ag Cu O2 | P 63/m m c | 3.039; 3.039; 12.395 90; 90; 120 | 99.138 | Amira. T. Mohamed; M.M.Arman.; Ebtesam.E.Ateia. A facile novel synthesis of AgCuO2 delafossite nanoparticles and evaluation of their antibacterial activity Personal communication to COD, 2022 |
3000420 | CIF | Ag Cu O2 | R -3 m :H | 3.039101; 3.039101; 18.59 90; 90; 120 | 148.696 | Amira. T. Mohamed; M.M.Arman; Ebtesam.E.Ateia. A facile novel synthesis of AgCuO2 delafossite nanoparticles and evaluation of their antibacterial activity Personal communication to COD, 2022 |
3500120 | CIF HKL | C12 H32 N2 O5 S | P 1 21/n 1 | 5.7306; 30.3712; 9.9232 90; 95.852; 90 | 1718.08 | Thierry Maris dodecane-1,12-diaminium sulfate monohydrate Personal communication to COD, 2022 |
3500121 | CIF HKL | C6 H5 Cl N4 | P 1 21/c 1 | 8.3768; 12.0691; 6.8173 90; 91.318; 90 | 689.05 | José Manuel Méndez-Arriaga; Miguel Quirós Personal communication to COD, 2022 |
3500122 | CIF HKL | C10 H10 Cd I2 N10 | P -1 | 8.5479; 9.685; 11.565 82.991; 79.282; 74.526 | 904 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
3500123 | CIF HKL | C30 H44 La2 N24 O19 | P 1 21/n 1 | 20.6591; 11.7739; 29.897 90; 107.089; 90 | 6951 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
3500124 | CIF HKL | C6 H16 Cl2 Cu N4 O14 | P n a 21 | 26.241; 12.644; 10.303 90; 90; 90 | 3418.4 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
3500125 | CIF HKL | C12 H16 Cl2 Cu N8 O12 | P b c a | 13.338; 13.199; 23.572 90; 90; 90 | 4150 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
3500126 | CIF HKL | C6 H8 N4 O2 | P 1 21/c 1 | 7.665; 14.324; 6.949 90; 92.975; 90 | 761.9 | José Manuel Méndez-Arriaga; Miguel Quirós 5-methyl-7-hydroxy-1,2,4-triazolo-[1,5-a]-pyrimidine mononydrate Personal communication to COD, 2022 |
3500127 | CIF | Co0.8 Fe2 O4 Zn0.2 | F d -3 m :1 | 8.3877; 8.3877; 8.3877 90; 90; 90 | 590.104 | Taju Ahmed Effects of Lanthanum doped cobalt-zinc ferrite on structural and magnetic properties (Co0.8 Zn0.2 Fe2-x Lax O4) Personal communication to COD, 2022 |
3500128 | CIF HKL | C3 H9 Al O9 | R -3 :H | 9.5544; 9.5544; 16.9655 90; 90; 120 | 1341.23 | Mohanty, Chetna; Maris, Thierry; Wuest, James D. Aluminium Formate Trihydrate Personal communication to COD, 2022 |
3500129 | CIF HKL | C12 H7 Br4 N | P 1 21 1 | 9.8662; 3.9711; 17.3372 90; 105.352; 90 | 655.03 | Lautmann, Michael; Maris, Thierry; Wuest, James D. 2,2',4,4'-tetrabromodiphenylamine Personal communication to COD, 2022 |
3500130 | CIF HKL | C41 H52 O12 | I 41/a :2 | 26.1308; 26.1308; 5.4539 90; 90; 90 | 3724.02 | Maris, Thierry; Laliberté, Dominic; Wuest, James D. tetrakis[(3,5-dimethoxybenzyloxy) methyl]methane Personal communication to COD, 2022 |
3500131 | CIF HKL | C12 H8 N2 O4 S | C 1 2/c 1 | 7.3431; 14.0371; 11.816 90; 103.573; 90 | 1183.9 | Maris, Thierry; Laliberté, Dominic; Raymond, Nathalie; Wuest, James D. Bis(4-nitrophenyl) sulfide Personal communication to COD, 2022 |
3500132 | CIF HKL | C17 H22 Cl N O | P n a 21 | 10.7451; 14.031; 10.4824 90; 90; 90 | 1580.37 | Thierry Maris Diphenhydramine hydrochloride - Refinement using Spherical Atom-form-factors Personal communication to COD, 2022 |
4004059 | CIF | C40 H64 Cl10 N4 Sb2 | P 1 n 1 | 18.4709; 9.53635; 18.6873 90; 114.223; 90 | 3001.86 | Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield Chemistry of Materials, 2022, 34, 537-546 |
4004060 | CIF | C8 H20 Cl5 N2 Sb | P b c a | 11.7848; 11.8754; 23.334 90; 90; 90 | 3265.57 | Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield Chemistry of Materials, 2022, 34, 537-546 |
4004061 | CIF | C8 H20 I4 N2 O2 Pb | C 1 2/c 1 | 9.392; 8.6729; 23.2152 90; 94.5715; 90 | 1885 | Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M. Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning Chemistry of Materials, 2022, 34, 756-767 |
4004062 | CIF | C4 H10 I3 N O Pb | P 21 21 21 | 8.1767; 8.7039; 16.5225 90; 90; 90 | 1175.89 | Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M. Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning Chemistry of Materials, 2022, 34, 756-767 |
4004063 | CIF | C1.14 H1.43 N0.86 | P b c a | 10.906; 5.7031; 15.132 90; 90; 90 | 941.2 | Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)− Chemistry of Materials, 2022, 34, 1976-1984 |
4004064 | CIF | C2 H4 N1.5 O1.5 P0.5 | P 1 21 1 | 4.536; 17.4264; 4.7517 90; 95.35; 90 | 373.97 | Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)− Chemistry of Materials, 2022, 34, 1976-1984 |
4004065 | CIF | C24 H22 Cd I4 N4 O2 | C 1 c 1 | 20.5433; 9.6018; 15.8277 90; 102.817; 90 | 3044.27 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
4004066 | CIF | C12 H11 Br N2 O | P 1 21/c 1 | 12.4902; 7.3161; 13.3109 90; 106; 90 | 1169.22 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
4004067 | CIF | C12 H11 I N2 O | P 1 21/c 1 | 12.5159; 7.5277; 13.7218 90; 106.358; 90 | 1240.48 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
4004068 | CIF | C24 H22 Br4 Cd N4 O2 | P -1 | 9.2789; 9.3226; 16.7163 97.28; 90.319; 94.783 | 1429.18 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
4004069 | CIF | C6 H9 Br4 N3 Pb | C 1 2/c 1 | 16.3428; 9.061; 18.5386 90; 101.743; 90 | 2687.8 | Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials, 2022, 34, 1699-1709 |
4004070 | CIF | C6 H9 Cl4 N3 Pb | P -1 | 8.7977; 8.8461; 9.5142 105.05; 96.33; 115.707 | 622.8 | Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials, 2022, 34, 1699-1709 |
4004071 | CIF | C6 H9 I4 N3 Pb | C 1 2/c 1 | 17.0883; 9.4534; 19.6226 90; 101.866; 90 | 3102.1 | Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials, 2022, 34, 1699-1709 |
4004072 | CIF | Ga2 Ir3 La | P 6/m m m | 5.5884; 5.5884; 3.9063 90; 90; 120 | 105.65 | Gui, Xin; Cava, Robert J. LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir Chemistry of Materials, 2022, 34, 2824-2832 |
4004073 | CIF | C19 H29 N5 | P 1 21/c 1 | 16.1515; 6.0242; 20.0589 90; 109.261; 90 | 1842.48 | Huang, Xianhui; Shangguan, Zhichun; Zhang, Zhao-Yang; Yu, Chunyang; He, Yixin; Fang, Dong; Sun, Wenjin; Li, Yan-Chun; Yuan, Chenrui; Wu, Si; Li, Tao Visible-Light-Induced Reversible Photochemical Crystal–Liquid Transitions of Azo-Switches for Smart and Robust Adhesives Chemistry of Materials, 2022, 34, 2636-2644 |
4004074 | CIF | C32 H48 Ag Cl8 Fe N4 | C 1 2 1 | 38.6306; 7.3226; 7.2843 90; 90.585; 90 | 2060.45 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
4004075 | CIF | C36 H56 Ag Cl8 Fe N4 | P 1 21 1 | 7.7313; 35.4619; 7.7347 90; 90.807; 90 | 2120.39 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
4004076 | CIF | C32 H48 Cl8 Fe N4 Na | P 1 21/c 1 | 7.25334; 39.2496; 7.18736 90; 90.6398; 90 | 2046.05 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
4004077 | CIF | C8 H28 Ag Cl8 In N4 | P -1 | 7.7161; 7.8117; 9.3428 102.735; 91.155; 90.898 | 549.06 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
4004078 | CIF | C8 H28 Ag Cl8 Fe N4 | P -1 | 7.5923; 10.8224; 13.3237 76.162; 89.632; 89.618 | 1062.96 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
4004079 | CIF | Al3 K Na2 O12 Si3 | P -1 | 7.94578; 5.1687; 15.1654 89.848; 93.6133; 89.9481 | 621.593 | Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E. HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Chemistry of Materials, 2022, 34, 7159 |
4004080 | CIF | Al3 K Na2 O12 Si3 | P m n 21 | 15.1422; 8.125613; 5.176215 90; 90; 90 | 636.88 | Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E. HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Chemistry of Materials, 2022, 34, 7159 |
4004081 | CIF | Cs Gd S2 | R -3 m :H | 4.11724; 4.11724; 24.0408 90; 90; 120 | 352.933 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004082 | CIF | Cs Gd S2 | P 63/m m c | 4.11494; 4.11494; 16.0144 90; 90; 120 | 234.838 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004083 | CIF | Gd2 O2 S | P -3 m 1 | 3.8535; 3.8535; 6.6663 90; 90; 120 | 85.729 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004084 | CIF | Gd2 O3 | I a -3 | 10.8113; 10.8113; 10.8113 90; 90; 90 | 1263.67 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004085 | CIF | Gd2 S3 | P n m a | 7.3424; 3.93196; 15.2841 90; 90; 90 | 441.25 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004086 | CIF | Gd10 S19 | P 42/n :2 | 8.7147; 8.7147; 15.8569 90; 90; 90 | 1204.27 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004087 | CIF | Gd K S2 | R -3 m :H | 4.07711; 4.07711; 21.917 90; 90; 120 | 315.513 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004088 | CIF | Gd Li S2 | F m -3 m | 5.52988; 5.52988; 5.52988 90; 90; 90 | 169.101 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004089 | CIF | Gd Na S2 | R -3 m :H | 4.01349; 4.01349; 19.9189 90; 90; 120 | 277.869 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4004090 | CIF | Gd Rb S2 | R -3 m :H | 4.09729; 4.09729; 22.874 90; 90; 120 | 332.557 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
4038972 | CIF | C26 H29 Mo2 O7 P W | P 1 21/n 1 | 10.4841; 20.5016; 13.3506 90; 105.05; 90 | 2771.16 | Alvarez, M. Angeles; Casado-Ruano, Melodie; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A. Reactions of the unsaturated methyl-bridged complexes [Mo2Cp2(μ-CH3)(μ-P Bu2)(CO)x] (x = 1, 2) towards transition metal carbonyls: convenient dehydrogenative route to heterometallic methylidyne-bridged clusters Journal of Organometallic Chemistry, 2022, 959, 122206 |
4038973 | CIF | C25 H31 Fe Mo2 O6 P | P 1 21/n 1 | 17.3932; 17.6468; 18.7329 90; 113.905; 90 | 5256.55 | Alvarez, M. Angeles; Casado-Ruano, Melodie; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A. Reactions of the unsaturated methyl-bridged complexes [Mo2Cp2(μ-CH3)(μ-P Bu2)(CO)x] (x = 1, 2) towards transition metal carbonyls: convenient dehydrogenative route to heterometallic methylidyne-bridged clusters Journal of Organometallic Chemistry, 2022, 959, 122206 |
4038989 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.44; 17.2113; 14.4688 90; 116.005; 90 | 3679.5 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038990 | CIF HKL | C8 H4 N8 | P 21 21 21 | 4.9738; 12.2716; 14.6059 90; 90; 90 | 891.49 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038991 | CIF HKL | C8 H4 N8 | P -1 | 16.4145; 17.1201; 19.7351 76.729; 85.855; 89.965 | 5383 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038992 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.423; 17.1344; 25.7615 90; 97.989; 90 | 7178.9 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038993 | CIF HKL | C8 H4 N8 | P 1 21 1 | 4.9733; 12.1827; 14.5857 90; 92.319; 90 | 883 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038994 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 8.3082; 13.8805; 8.052 90; 100.967; 90 | 911.61 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038995 | CIF HKL | C8 H4 N8 | F d d 2 | 20.2505; 33.1064; 5.3773 90; 90; 90 | 3605.1 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038996 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 6.1658; 17.1862; 8.8111 90; 102.164; 90 | 912.72 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038997 | CIF HKL | C8 H4 N8 | P 1 21 1 | 7.4796; 5.1345; 11.9958 90; 104.155; 90 | 446.699 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
4038998 | CIF HKL | C25.5 H20 O5.5 | C 2 2 21 | 18.3893; 18.6897; 12.66 90; 90; 90 | 4351.12 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4038999 | CIF HKL | C25 H12 O4 | P b c a | 12.8587; 8.9635; 30.2132 90; 90; 90 | 3482.34 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039000 | CIF HKL | C25 H12 O4 | P b c a | 12.955; 9.0569; 30.47 90; 90; 90 | 3575.1 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039001 | CIF HKL | C16 H16 O6 | P 1 21/n 1 | 3.8692; 13.0002; 13.4342 90; 92.021; 90 | 675.32 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039002 | CIF HKL | C12 H8 O2 | P 1 21/c 1 | 3.7666; 11.9321; 9.487 90; 90.18; 90 | 426.38 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039003 | CIF HKL | C13 H10 O2 | P n m a | 9.4974; 20.7529; 4.8353 90; 90; 90 | 953.03 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039004 | CIF HKL | C12 H4 Br4 O2 | P 1 21/n 1 | 4.8559; 10.7212; 12.4441 90; 98.773; 90 | 640.27 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039005 | CIF HKL | C12 H4 Cl4 O2 | P -1 | 7.4617; 10.9134; 11.5066 81.561; 74.206; 83.191 | 888.83 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039006 | CIF HKL | C16 H18 O2 | P 1 21/c 1 | 6.9048; 4.6436; 19.7929 90; 99.258; 90 | 626.36 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039007 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.1591; 11.0703; 10.7115 90; 95.006; 90 | 609.43 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039008 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.576; 10.2185; 10.9447 90; 90.06; 90 | 623.61 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039009 | CIF HKL | C22 H28 O2 | P b c a | 9.9404; 12.579; 15.1193 90; 90; 90 | 1890.52 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
4039010 | CIF HKL | C16 H17 O2 | P -1 | 3.9361; 8.1328; 10.09 103.215; 98.917; 94.489 | 308.46 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
4039011 | CIF HKL | C28 H22 Cl4 O4 | P -1 | 7.7126; 8.7927; 10.319 97.989; 102.763; 115.573 | 593.39 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
4039012 | CIF HKL | C14 H11 Br2 O2 | P -1 | 7.8307; 8.1915; 10.2693 75.078; 76.037; 85.769 | 617.66 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
4039013 | CIF HKL | C22 H18 Cl4 O4 | C 1 2/m 1 | 19.7264; 6.2955; 8.8067 90; 110.054; 90 | 1027.37 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
4039014 | CIF HKL | C22 H18 Br4 O4 | C 1 2/m 1 | 19.8053; 6.3558; 9.0498 90; 109.266; 90 | 1075.38 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
4039015 | CIF | C18 H15 Cl2 N3 Pt S | P -1 | 9.3943; 9.6599; 11.7278 68.234; 76.018; 64.339 | 886.73 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
4039016 | CIF | C21 H20 Cl2 N4 Pt S | P -1 | 9.5617; 11.1072; 11.4558 66.525; 77.155; 74.355 | 1065.48 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
4039017 | CIF | C6 H7 Cl2 N3 Pt S | C 1 2/m 1 | 16.2764; 6.7492; 8.8152 90; 95.47; 90 | 963.96 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
4039018 | CIF | C7 H9 Cl2 N3 Pt S | P 1 21/n 1 | 9.042; 7.4539; 16.156 90; 101.815; 90 | 1065.8 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
4350817 | CIF | H0.36 Mo O3 | C m c m | 3.8854; 14.0556; 3.73791 90; 90; 90 | 204.13 | Keilholz, Simon; Kohlmann, Holger; Uhlenhut, Henning; Gabke, Andrea; García-Schollenbruch, Marleny In Situ X-ray Diffraction Studies on the Production Process of Molybdenum Inorganic Chemistry, 2022, 61, 10126-10132 |
4519274 | CIF | C12 H38 Br12 N4 Pb3 | P m c 21 | 53.477; 8.4509; 8.4407 90; 90; 90 | 3814.6 | Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite. ACS applied materials & interfaces, 2022, 14, 5608-5614 |
4519275 | CIF | C48 H24 Mn2 N4 O11.67 V | P 6/m m m | 32.603; 32.603; 16.679 90; 90; 120 | 15354 | Wang, Yefei; Zhao, Liang; Ji, Guanfeng; He, Cheng; Liu, Songtao; Duan, Chunying Vanadium(V<sup>IV</sup>)-Porphyrin-Based Metal-Organic Frameworks for Synergistic Bimetallic Activation of Inert C(sp<sup>3</sup>)-H Bonds. ACS applied materials & interfaces, 2022, 14, 2794-2804 |
4519276 | CIF | C132 Nd4.17 O36.77 Yb5.9 | P 3 m 1 | 21.8128; 21.8128; 16.9894 90; 90; 120 | 7000.5 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
4519277 | CIF | C132 Eu5.8 Nd3.2 O45.68 Yb0.32 | P 3 m 1 | 22.29; 22.29; 16.495 90; 90; 120 | 7097.5 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
4519278 | CIF | C132 Eu9.09 O44.72 | P 3 m 1 | 22.3548; 22.3548; 16.5163 90; 90; 120 | 7148 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
4519279 | CIF | C132 O45.32 Yb9.76 | P 3 m 1 | 21.7387; 21.7387; 16.9015 90; 90; 120 | 6917.1 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
4519280 | CIF | Cd2 Cs2 Ga8 S15 | I b a 2 | 11.8574; 12.9781; 17.527 90; 90; 90 | 2697.2 | Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System. ACS applied materials & interfaces, 2022, 14, 4352-4359 |
4519281 | CIF | Cd4 Ga3 Rb S9 | C 2 2 21 | 18.194; 18.5228; 9.8042 90; 90; 90 | 3304.1 | Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System. ACS applied materials & interfaces, 2022, 14, 4352-4359 |
4519282 | CIF | Cd3 Ga5 K S11 | P n a 21 | 13.0701; 11.6218; 12.2714 90; 90; 90 | 1864 | Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System. ACS applied materials & interfaces, 2022, 14, 4352-4359 |
4519283 | CIF | C64 H64 Cl4 Co4 F4 N8 O8 | P 1 21/c 1 | 10.159; 9.178; 17.895 90; 96.617; 90 | 1657.4 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
4519284 | CIF | C78 H130 Cl2 Co2 N8 O8 | P -1 | 9.1336; 12.9774; 18.9147 99.113; 96.967; 107.686 | 2074.56 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
4519285 | CIF | C54 H76 Co N2 O2 | P -1 | 14.2566; 14.6272; 15.6252 73.694; 69.455; 86.611 | 2925.6 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
4519286 | CIF | C58 H56 Cl8 Co2 N4 O8 | P 1 21/c 1 | 9.9281; 19.0648; 16.0575 90; 103.738; 90 | 2952.37 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
4519287 | CIF | C56 H48 Co2 N4 O8 | P -1 | 8.9504; 11.3578; 11.9921 84.297; 87.43; 71.693 | 1151.53 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
4519288 | CIF | C20 H21 F2 N O3 Si | P 1 | 9.1912; 12.9247; 18.6126 97.232; 97.041; 109.612 | 2033.8 | Fang, Xiaowu; Wen, Songwei; Jin, Peishen; Bao, Wenjing; Liu, Shanshan; Cong, Hengjiang; Shen, Xiao Synthesis of Enantioenriched Fluorinated Enol Silanes Enabled by Asymmetric Reductive Coupling of Fluoroalkylacylsilanes and 1,3-Enynes and Brook Rearrangement ACS Catalysis, 2022, 2150-2157 |
4519289 | CIF | C32 H40 B2 F3 Fe N O6 | P 21 21 21 | 11.6087; 12.4217; 22.4749 90; 90; 90 | 3240.88 | Zou, Xiaoliang; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao Chiral Bidentate Boryl Ligand-Enabled Iridium-Catalyzed Enantioselective Dual C–H Borylation of Ferrocenes: Reaction Development and Mechanistic Insights ACS Catalysis, 2022, 1830-1840 |
4519290 | CIF | C22 H24 Cl N O4 S | P 1 21 1 | 9.8706; 5.4872; 20.3442 90; 95.248; 90 | 1097.26 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
4519291 | CIF | C20 H21 N O4 S | C 1 2 1 | 22.954; 8.0412; 10.4938 90; 94.297; 90 | 1931.5 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
4519292 | CIF | C20 H21 N O4 S | P 21 21 21 | 5.3884; 14.8582; 23.6108 90; 90; 90 | 1890.33 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
4519293 | CIF | C12 H18 O3 | P 21 21 21 | 4.6204; 7.0144; 36.1467 90; 90; 90 | 1171.49 | Gu, Xue-Song; Xiong, Ying; Yang, Fan; Yu, Na; Yan, Pu-Cha; Xie, Jian-Hua; Zhou, Qi-Lin Enantioselective Hydrogenation toward Chiral 3-Aryloxy Tetrahydrofurans Enabled by Spiro Ir-PNN Catalysts Containing an Unusual 5-Substituted Chiral Oxazoline Unit ACS Catalysis, 2022, 2206-2211 |
4519294 | CIF | C51 H60 Co N4 O11 S2 | P 1 21/c 1 | 13.1519; 27.2945; 14.7065 90; 97.54; 90 | 5233.6 | Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization ACS Catalysis, 2022, 1650-1656 |
4519295 | CIF | C26 H20 N2 O | C 1 2/c 1 | 30.4714; 7.81348; 16.8852 90; 96.0459; 90 | 3997.8 | Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization ACS Catalysis, 2022, 1650-1656 |
4519296 | CIF | C42 H42 N2 Ni O5 P2 S | P 1 21/n 1 | 11.9758; 27.1961; 12.687 90; 107.865; 90 | 3932.9 | Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling ACS Catalysis, 2022, 12, 1475-1480 |
4519297 | CIF | C48 H51 N Ni O5 P2 S | P -1 | 10.7191; 12.009; 18.2064 82.6614; 76.5673; 71.5732 | 2158.89 | Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling ACS Catalysis, 2022, 12, 1475-1480 |
4519298 | CIF | C40 H40 B2 Cl3 Cu F8 N4 O2 | P 21 21 21 | 13.07; 14.339; 21.988 90; 90; 90 | 4120.8 | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles ACS Catalysis, 2022, 12, 1012-1017 |
4519299 | CIF | C41 H48 Cu F6 N4 O10 S2 | P 21 21 21 | 14.6616; 15.7092; 19.6198 90; 90; 90 | 4518.9 | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles ACS Catalysis, 2022, 12, 1012-1017 |
4519300 | CIF | C24 H21 N | C 1 2/c 1 | 24.644; 7.0908; 20.5784 90; 91.432; 90 | 3594.9 | Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes ACS Catalysis, 2022, 12, 993-1003 |
4519301 | CIF | C40 H38 N2 O8 S2 | P 1 21/c 1 | 14.4266; 7.4071; 33.2757 90; 96.682; 90 | 3531.66 | He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle ACS Catalysis, 2022, 12, 1595-1600 |
4519302 | CIF | C28 H37 N O3 | C 1 2/c 1 | 27.2805; 9.5063; 18.9097 90; 92.819; 90 | 4898.04 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
4519303 | CIF | C25 H36 N O3 | C 1 2/c 1 | 24.2586; 10.3745; 18.8315 90; 93.703; 90 | 4729.4 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
4519304 | CIF | C16 H15 N O | P -1 | 4.86815; 8.4796; 15.0305 75.423; 85.496; 84.466 | 596.74 | Leclair, Alexandre; Wang, Qian; Zhu, Jieping Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine ACS Catalysis, 2022, 12, 1209-1215 |
4519305 | CIF | C19 H17 N O | P b c n | 26.2423; 15.2953; 7.4169 90; 90; 90 | 2977.02 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
4519306 | CIF | C36 H35 N3 O8 | P -1 | 6.8134; 14.9283; 16.487 87.748; 78.963; 79.267 | 1617.11 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
4519307 | CIF | C23 H25 N5 O4 | P 21 21 21 | 6.36481; 17.9645; 18.8399 90; 90; 90 | 2154.17 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
4519308 | CIF | C68 H42 N6 | I 1 2/a 1 | 16.9883; 11.5454; 25.4733 90; 104.9; 90 | 4828.3 | Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application ACS Omega, 2022, 7, 3722-3730 |
4519309 | CIF | C34 H21 N3 | P 1 21/c 1 | 5.4935; 23.625; 18.7705 90; 91.838; 90 | 2434.9 | Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application ACS Omega, 2022, 7, 3722-3730 |
4519310 | CIF | C34 H24 N2 | P c c n | 22.7897; 11.5629; 18.4891 90; 90; 90 | 4872.2 | Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application ACS Omega, 2022, 7, 3722-3730 |
4519311 | CIF | C15 H15 N3 O3 S | P -1 | 8.6805; 9.276; 10.4682 75.499; 83.008; 67.834 | 755.39 | Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides. ACS omega, 2022, 7, 2160-2169 |
4519312 | CIF | C13 H11 N3 O S | P n a 21 | 9.9488; 12.8366; 18.5222 90; 90; 90 | 2365.4 | Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides. ACS omega, 2022, 7, 2160-2169 |
4519313 | CIF | C62 H44 Cl4 Eu2 N10 O12 | P 1 21/n 1 | 12.1286; 11.7919; 21.603 90; 92.461; 90 | 3086.8 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
4519314 | CIF | C62 H44 Cl4 Dy2 N10 O12 | P 1 21/n 1 | 12.0593; 11.7251; 21.6822 90; 92.72; 90 | 3062.33 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
4519315 | CIF | C62 H44 Cl4 N10 O12 Tb2 | P 1 21/n 1 | 12.0765; 11.7333; 21.6298 90; 92.55; 90 | 3061.85 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
4519316 | CIF | C62 H44 Cl4 Gd2 N10 O12 | P 1 21/n 1 | 12.0936; 11.7499; 21.6432 90; 92.625; 90 | 3072.24 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
4519317 | CIF | C66 H137 Br La N11 O16 | P 1 21/c 1 | 29.689; 14.194; 20.253 90; 108.716; 90 | 8083 | Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G. Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs. ACS omega, 2022, 7, 3073-3082 |
4519318 | CIF | C44 H92 Br2 N4 O | P 1 21 1 | 5.8282; 6.931; 56.791 90; 92.934; 90 | 2291.1 | Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G. Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs. ACS omega, 2022, 7, 3073-3082 |
4519319 | CIF | C2 Ca O5 | I -4 2 d | 6.994; 6.994; 9.897 90; 90; 90 | 484.1 | König, Jannes; Spahr, Dominik; Bayarjargal, Lkhamsuren; Gavryushkin, Pavel N.; Sagatova, Dinara; Sagatov, Nursultan; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth’s Lower Mantle ACS Earth and Space Chemistry, 2022, 6, 73-80 |
4519320 | CIF | C138 Nd6 O64 Yb6 | P 3 | 40.2698; 40.2698; 23.9273 90; 90; 120 | 33603.4 | Sava Gallis, Dorina F.; Butler, Kimberly S.; Pearce, Charles J.; Valdez, Nichole; Rodriguez, Mark A. Programmable Photoluminescence via Intrinsic and DNA-Fluorophore Association in a Mixed Cluster Heterometallic MOF. ACS applied materials & interfaces, 2022, 14, 10566-10576 |
4519321 | CIF | C6 H6 N10 O10 | P 1 21/c 1 | 9.314; 5.943; 13.344 90; 97.847; 90 | 731.7 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
4519322 | CIF | C6 K2 N10 O8 | P 1 21/c 1 | 8.998; 4.7624; 15.5601 90; 99.744; 90 | 657.16 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
4519323 | CIF | C6 H4 N6 O6 | P b c a | 8.7185; 10.9411; 18.8132 90; 90; 90 | 1794.59 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
4519324 | CIF | C6 H12 N12 O10 | P -1 | 7.1996; 10.1924; 11.2601 101.457; 92.636; 99.304 | 796.55 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
4519325 | CIF | C28 H23 N3 O9 Sr | I 41/a :2 | 28.5283; 28.5283; 13.6804 90; 90; 90 | 11134 | Wang, Zhonghe; Zeng, Le; He, Cheng; Duan, Chunying Metal-Organic Framework-Encapsulated Anthraquinone for Efficient Photocatalytic Hydrogen Atom Transfer. ACS applied materials & interfaces, 2022, 14, 7980-7989 |
4519326 | CIF | C49 H34 Ca3 N4 O24 | P -1 | 10.0392; 15.8473; 18.4586 73.212; 86.207; 72.155 | 2675.43 | Li, Wen-Bin; Chen, Xiong-Hai; Chen, Jia-Zhe; Huang, Rong; Ye, Jia-Wen; Chen, Ling; Wang, Hai-Ping; Yang, Tao; Tang, Liu-Yan; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming Photochromic Metal-Organic Framework for High-Resolution Inkless and Erasable Printing. ACS applied materials & interfaces, 2022, 14, 8458-8463 |
4519327 | CIF | C18 H22 O3 | P 21 21 21 | 8.9764; 10.4533; 16.0723 90; 90; 90 | 1508.11 | Peng, Yaqin; Gao, Chenghua; Zhang, Zili; Wu, Shijie; Zhao, Jing; Li, Aitao A Chemoenzymatic Strategy for the Synthesis of Steroid Drugs Enabled by P450 Monooxygenase-Mediated Steroidal Core Modification ACS Catalysis, 2022, 2907-2914 |
4519328 | CIF | C30 H50 N3 O3 Sc Si2 | P -1 | 9.295; 9.951; 18.689 96.21; 96.947; 109.414 | 1597.9 | Belli, Roman G.; Tafuri, Victoria C.; Joannou, Matthew V.; Roberts, Courtney C. d0 Metal-Catalyzed Alkyl–Alkyl Cross-Coupling Enabled by a Redox-Active Ligand ACS Catalysis, 2022, 3094-3099 |
4519329 | CIF | C22 H19 Fe N O3 | P 1 21 1 | 6.7812; 22.3955; 12.8222 90; 105.197; 90 | 1879.19 | Wang, Quannan; Nie, Yu-Han; Liu, Chen-Xu; Zhang, Wen-Wen; Wu, Zhi-Jie; Gu, Qing; Zheng, Chao; You, Shu-Li Rhodium(III)-Catalyzed Enantioselective C–H Activation/Annulation of Ferrocenecarboxamides with Internal Alkynes ACS Catalysis, 2022, 3083-3093 |
4519330 | CIF | C23 H18 O | P -1 | 8.8621; 10.1071; 10.9059 93.225; 112.881; 109.629 | 827.8 | Abel-Snape, Xavier; Wycich, Gina; Lautens, Mark Synthesis of Indenes and Benzofulvenes via a Palladium-Catalyzed Three-Component Reaction ACS Catalysis, 2022, 3291-3301 |
4519331 | CIF | C17 H14 O4 | P 21 21 21 | 6.37486; 13.7162; 15.6002 90; 90; 90 | 1364.06 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
4519332 | CIF | C11 H10 O4 | P 1 21/c 1 | 7.4832; 16.3724; 8.0317 90; 109.335; 90 | 928.53 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
4519333 | CIF | C7 H10 O4 | P 1 21/n 1 | 6.8234; 9.9156; 10.9182 90; 93.902; 90 | 737 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
4519334 | CIF | C20 H45 B F4 N2 Ni O P2 | P -1 | 9.7943; 10.8646; 13.9683 100.077; 105.481; 107.418 | 1313.2 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
4519335 | CIF | C32 H57.25 B2 F8 N2.5 Ni P2 | P -1 | 12.173; 20.1578; 33.802 106.291; 97.137; 92.346 | 7874.6 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
4519336 | CIF | C25 H36 Fe N2 Si | C m c e | 18.7305; 14.4274; 17.8945 90; 90; 90 | 4835.7 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
4519337 | CIF | C37 H57 B Fe N2 | P n m a | 19.2143; 20.1989; 9.3011 90; 90; 90 | 3609.83 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
4519338 | CIF | C29 H41 B Fe N2 | C 1 2/c 1 | 18.1664; 12.4604; 23.9387 90; 94.823; 90 | 5399.59 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
4519339 | CIF | C42 H52 Fe2 N4 | P n m a | 21.9805; 16.4818; 10.6196 90; 90; 90 | 3847.25 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
4519340 | CIF | C42 H50 Fe N4 | P 1 21/n 1 | 10.9682; 17.6194; 18.8246 90; 95.32; 90 | 3622.24 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
4519341 | CIF | C21 H19 Fe N O6 | P 1 21 1 | 7.6105; 8.0429; 15.2788 90; 101.481; 90 | 916.51 | Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions ACS Catalysis, 2022, 12, 2706-2713 |
4519342 | CIF | C16 H17 N3 O3 | P 1 21/n 1 | 11.5366; 9.0589; 30.02 90; 98.806; 90 | 3100.4 | Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides ACS Catalysis, 2022, 12, 2426-2433 |
4519343 | CIF | C55 H52 Br Co N2 P2 | P 1 21/c 1 | 10.276; 26.264; 17.399 90; 103.191; 90 | 4571.9 | Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex ACS Catalysis, 2022, 12, 2320-2329 |
4519344 | CIF | C13 H16 Cl N O2 | P 1 21 1 | 6.5842; 11.023; 8.603 90; 101.266; 90 | 612.35 | Highland, Jaclyn N.; Morris, Patrick J.; Konrath, Kylie M.; Riggs, Lace M.; Hagen, Natalie R.; Zanos, Panos; Powels, Chris F.; Moaddel, Ruin; Thomas, Craig J.; Wang, Amy Q.; Gould, Todd D. Hydroxynorketamine Pharmacokinetics and Antidepressant Behavioral Effects of (2<i>,</i>6)- and (5<i>R</i>)-Methyl-(2<i>R,</i>6<i>R</i>)-hydroxynorketamines. ACS chemical neuroscience, 2022, 13, 510-523 |
4519345 | CIF | C24.94 H34.88 B3 Cl1.88 N2 O8 | P 1 21/n 1 | 18.071; 7.8493; 21.159 90; 101.232; 90 | 2943.8 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
4519346 | CIF | C21 H20 O4 | C 1 2/c 1 | 11.62; 10.769; 13.577 90; 98.985; 90 | 1678.1 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
4519347 | CIF | C24 H24 O4 | P 1 21/n 1 | 10.6564; 7.937; 22.4894 90; 97.249; 90 | 1886.9 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
4519348 | CIF | C19 H14 Cl2 O2 | P 21 21 2 | 5.08; 27.367; 5.5795 90; 90; 90 | 775.7 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
4519349 | CIF | Al2 Cl Li O6 | P -3 1 m | 5.1098; 5.1098; 7.1704 90; 90; 120 | 162.137 | Venkataraman, Kavitha; Thomas, Grace S. Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study. ACS omega, 2022, 7, 5393-5400 |
4519350 | CIF | Al2 Li N O9 | C 1 2/m 1 | 5.0877; 8.814; 9.0504 90; 100.51; 90 | 399.04 | Venkataraman, Kavitha; Thomas, Grace S. Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study. ACS omega, 2022, 7, 5393-5400 |
4519351 | CIF | C32 H18 Br4 N4 | P 1 21/c 1 | 12.6185; 12.3442; 17.9746 90; 103.4; 90 | 2723.6 | Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G. Diindolylamine Preparation and Stability Investigations. ACS omega, 2022, 7, 5197-5205 |
4519352 | CIF | C15 H15 N O | P c a 21 | 10.631; 13.873; 8.6997 90; 90; 90 | 1283.1 | Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives. ACS omega, 2022, 7, 5217-5230 |
4519353 | CIF | C15 H23 F N2 O5 | P 21 21 21 | 6.5137; 15.684; 17.611 90; 90; 90 | 1799.2 | Pons, Amandine; Decaens, Jonathan; Najjar, Riham; Otog, Nansalmaa; Arribat, Mathieu; Jolly, Sandrine; Couve-Bonnaire, Samuel; Sebban, Muriel; Coadou, Gael; Oulyadi, Hassan; Speybrouck, David; Iwasa, Seiji; Charette, André B; Poisson, Thomas; Jubault, Philippe Fluorocyclopropane-Containing Proline Analogue: Synthesis and Conformation of an Item in the Peptide Chemist's Toolbox. ACS omega, 2022, 7, 4868-4878 |
4519354 | CIF | C10 H6 N6 O3 | P -1 | 5.6104; 5.738; 17.8464 91.354; 92.008; 92.293 | 573.53 | Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A. Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights. ACS omega, 2022, 7, 5008-5031 |
4519355 | CIF | C11 H18 N6 O2 | C 1 2/c 1 | 16.633; 6.8163; 25.874 90; 90.625; 90 | 2933.3 | Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A. Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights. ACS omega, 2022, 7, 5008-5031 |
4519356 | CIF | C26 H21 N O4 | P 1 21/c 1 | 8.7961; 16.2533; 14.8259 90; 93.4435; 90 | 2115.77 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
4519357 | CIF | C29 H19 N O | P 1 21/c 1 | 10.0432; 9.4172; 22.1188 90; 98.0439; 90 | 2071.39 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
4519358 | CIF | C24 H17 N O | P 1 21/n 1 | 6.264; 17.8352; 15.8767 90; 97.605; 90 | 1758.14 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
4519359 | CIF | C32.25 H30.5 Cl0.5 N2 O3 | P b c n | 14.8518; 15.7023; 25.8545 90; 90; 90 | 6029.5 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
4519360 | CIF | C8 H10 Co N2 O5 | P 1 21/c 1 | 7.1468; 17.7533; 8.5534 90; 103.318; 90 | 1056.06 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
4519361 | CIF | C6 H6 Co N2 O4 | C 1 2/c 1 | 12.1608; 7.5544; 8.6393 90; 90.528; 90 | 793.64 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
4519362 | CIF | C8 H16 Co N2 O8 | P n n m | 10.316; 7.114; 9.458 90; 90; 90 | 694.1 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
4519363 | CIF | C4 H12 Co O8 | P 1 21/c 1 | 7.4075; 14.8143; 7.7787 90; 99.741; 90 | 841.3 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
4519364 | CIF | C8 H12 Co N2 O6 | C 1 2/c 1 | 12.7414; 6.7729; 13.4227 90; 107.659; 90 | 1103.75 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
4519365 | CIF | C12 H16 Co2 N2 O10 | P -1 | 7.7368; 9.0843; 11.321 90.118; 99.312; 97.756 | 777.78 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
4519366 | CIF | C12 H9 N O | P 1 21/c 1 | 9.335; 5.768; 8.261 90; 103.17; 90 | 433.11 | Kaltenegger, Martin; Delaive, Louis; Gali, Sai Manoj; Brocorens, Patrick; Werzer, Oliver; Riegler, Hans; Geerts, Yves Henri; Lazzaroni, Roberto; Resel, Roland; Liu, Jie Molecular Packing of Phenoxazine: A Combined Single-Crystal/Crystal Structure Prediction Study Crystal Growth & Design, 2022, 22, 1548-1553 |
4519367 | CIF | C48 H40 O8 | P 1 21/n 1 | 11.44; 5.98; 12.43 90; 108.06; 90 | 808.5 | Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A. Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction Crystal Growth & Design, 2022, 22, 1533-1537 |
4519368 | CIF | C48 H40 O8 | P 1 21/n 1 | 10.83; 5.86; 13.42 90; 108.32; 90 | 808.5 | Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A. Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction Crystal Growth & Design, 2022, 22, 1533-1537 |
4519369 | CIF | C26 H20 Cu2 F6 N8 O5 Zr | C m m m | 17.105; 28.211; 15.588 90; 90; 90 | 7522 | Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap. ACS applied materials & interfaces, 2022, 14, 13550-13559 |
4519370 | CIF | C26 H19 Cu2 F6 N8 O5 Ti | C m m m | 28.1998; 16.7324; 15.648 90; 90; 90 | 7383.5 | Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap. ACS applied materials & interfaces, 2022, 14, 13550-13559 |
4519371 | CIF | C26 H20 Cu2 F6 N8 O5 Si | C m m m | 28.295; 16.336; 15.6802 90; 90; 90 | 7247.8 | Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap. ACS applied materials & interfaces, 2022, 14, 13550-13559 |
4519372 | CIF | C54 H45 N4 O15 P4 U | I 41/a :2 | 38.087; 38.087; 16.6075 90; 90; 90 | 24091 | Zhao, Hongxia; Qi, Chao; Yan, Xuewu; Ji, Jinyan; Chai, Zhifang; Wang, Shuao; Zheng, Tao A Multifunctional Porous Uranyl Phosphonate Framework for Cyclic Utilization: Salvages, Uranyl Leaking Prevention, and Fluorescent Sensing. ACS applied materials & interfaces, 2022, 14, 14380-14387 |
4519373 | CIF | C10 H22 Br2 Cu N | P b c a | 13.832; 12.061; 17.097 90; 90; 90 | 2852.25 | Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators. ACS applied materials & interfaces, 2022, 14, 14157-14164 |
4519374 | CIF | C24 H20 Br2 Cu P | P 1 21/c 1 | 9.3658; 18.3538; 13.6212 90; 102.217; 90 | 2288.4 | Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators. ACS applied materials & interfaces, 2022, 14, 14157-14164 |
4519375 | CIF | C15 H17 N3 O | P -1 | 7.688; 9.1076; 10.6827 95.94; 109.12; 110.396 | 642.108 | Khake, Shrikant M.; Chatani, Naoto Rhodium(III)-Catalyzed Oxidative C–H Alkylation of Aniline Derivatives with Allylic Alcohols To Produce β-Aryl Ketones ACS Catalysis, 2022, 4394-4401 |
4519376 | CIF | C32 H36 F6 N3 P Pd S | C 1 c 1 | 20.3; 10.543; 15.816 90; 109.54; 90 | 3190 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
4519377 | CIF | C34.5 H41 Cl F6 N3 P Pd S | P 1 21/c 1 | 12.153; 28.037; 21.613 90; 94.356; 90 | 7343 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
4519378 | CIF | C19 H21 Bi F3 N | P 1 21/c 1 | 12.9594; 9.2852; 14.7567 90; 91.483; 90 | 1775.09 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
4519379 | CIF | C15 H14 Bi F3 | P b c a | 17.435; 9.004; 18.23 90; 90; 90 | 2861.8 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
4519380 | CIF | C16 H14 Bi F3 | P b c a | 9.7284; 9.7063; 30.3122 90; 90; 90 | 2862.3 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
4519381 | CIF | C23 H22 O | P 1 21/c 1 | 6.1078; 23.368; 12.0794 90; 100.277; 90 | 1696.4 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
4519382 | CIF | C20 H26 O2 | P -1 | 10.2627; 13.449; 14.5521 115.316; 101.172; 101.362 | 1690.21 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
4519383 | CIF | C33 H50 N3 Ni O5 P | P 1 21/c 1 | 16.5365; 15.9821; 12.9995 90; 97.271; 90 | 3408 | Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones ACS Catalysis, 2022, 12, 3776-3781 |
4519384 | CIF | C31 H49 Au F6 P Sb | P -1 | 8.7636; 13.6876; 28.412 86.489; 89.678; 77.831 | 3325.2 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519385 | CIF | C63 H81 Au F3 N2 O P Sb0.5 | P -1 | 15.519; 15.638; 17.4595 68.369; 80.53; 65.864 | 3594 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519386 | CIF | C46 H67 Au Cl P | P 21 21 21 | 12.6694; 18.1472; 18.894 90; 90; 90 | 4344 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519387 | CIF | C53 H82 Au Cl4 F6 P Sb | C 1 2/c 1 | 33.253; 13.3849; 26.02 90; 93.079; 90 | 11564.5 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519388 | CIF | C126 H159 Au2 F12 P2 Sb2 | P 1 21/n 1 | 13.714; 51.58; 18.755 90; 99.2; 90 | 13096 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519389 | CIF | C120 H165 Au3 Cl3 P3 | C 1 2/c 1 | 54.233; 14.371; 32.268 90; 102.216; 90 | 24580 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519390 | CIF | C32 H39 Au F6 P Sb | P 1 21/n 1 | 11.3949; 16.7262; 18.567 90; 104.78; 90 | 3421.7 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519391 | CIF | C66 H90 Au F6 N P Sb | P -1 | 15.3509; 15.473; 19.0096 95.2651; 103.141; 117.913 | 3781 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
4519392 | CIF | C53 H59 Cl2 Co N4 O2 Zn | P -1 | 10.7552; 11.5789; 21.0514 103.464; 93.118; 103.01 | 2468.27 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
4519393 | CIF | C59 H52 N8 O2 Zn2 | P -1 | 9.1508; 10.8692; 14.2352 80.73; 73.248; 67.252 | 1248.34 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
4519394 | CIF | C60 H40 B Cl2 F4 N | P 1 21/n 1 | 8.5453; 22.0815; 24.6638 90; 97.013; 90 | 4619.1 | Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene. ACS omega, 2022, 7, 8665-8674 |
4519395 | CIF | C51 H45 N Si2 | P -1 | 11.0371; 13.4132; 15.606 70.893; 73.798; 74.546 | 2057 | Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene. ACS omega, 2022, 7, 8665-8674 |
4519396 | CIF | C52 H47 Cl2 N Si2 | P 1 21/n 1 | 8.2706; 34.0842; 15.5666 90; 94.273; 90 | 4376 | Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene. ACS omega, 2022, 7, 8665-8674 |
4519397 | CIF | C20 H12 S | P 1 21/c 1 | 15.5106; 4.9274; 18.1757 90; 99.752; 90 | 1369.04 | Gazdag, Tamás; Mayer, Péter J; Kalapos, Péter Pál; Holczbauer, Tamás; El Bakouri, Ouissam; London, Gábor Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis. ACS omega, 2022, 7, 8336-8349 |
4519398 | CIF | C27 H20 Co2 N2 O12 S | C 1 2/c 1 | 44.87; 8.909; 14.807 90; 90.851; 90 | 5918 | Rothman, Jeffrey H. Synthesis of Endocyclic Cycloalkyne Amino Acids. ACS omega, 2022, 7, 9053-9060 |
4519399 | CIF | C52 H42 F4 N4 | P -1 | 9.2143; 12.7406; 12.62 85.167; 73.242; 71.786 | 1347.51 | Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G. Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives. ACS omega, 2022, 7, 8988-8994 |
4519400 | CIF | C23 H39 N O14 | P 1 21 1 | 9.5087; 7.8793; 18.5965 90; 91.407; 90 | 1392.87 | Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations. ACS omega, 2022, 7, 8906-8918 |
4519401 | CIF | C25 H43 N O14 | P 1 21 1 | 9.41201; 7.9414; 19.98256 90; 97.5366; 90 | 1480.68 | Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations. ACS omega, 2022, 7, 8906-8918 |
4519402 | CIF | C26 H45 N O14 | P 1 21 1 | 9.41164; 7.95651; 20.651 90; 100.299; 90 | 1521.51 | Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations. ACS omega, 2022, 7, 8906-8918 |
4519403 | CIF | C49 H36 Au2 P2 S4 | P 1 n 1 | 14.3012; 8.9089; 16.767 90; 96.005; 90 | 2124.5 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
4519404 | CIF | C108 H87 Au4 Cl8 P4 S8 | P -1 | 16.0501; 17.0934; 20.701 91.582; 108.552; 96.765 | 5333.93 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
4519405 | CIF | C111 H98 Au4 O3 P4 S8 | P b c n | 18.48; 16.1182; 33.0678 90; 90; 90 | 9849.7 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
4519406 | CIF | C50 H38 Au2 P2 S4 | P 1 21/n 1 | 12.3768; 16.5846; 21.3999 90; 101.368; 90 | 4306.46 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
4519407 | CIF | C34 H20 S4 | P 1 21/n 1 | 21.019; 7.8788; 46.469 90; 97.275; 90 | 7633.5 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
4519408 | CIF | C24 H48 N6 Si2 | P 1 21/c 1 | 10.2644; 15.054; 10.2555 90; 119.67; 90 | 1376.9 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
4519409 | CIF | C24 H48 N6 Si2 | P 1 21/n 1 | 10.0211; 17.9266; 15.5703 90; 103.901; 90 | 2715.2 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
4519410 | CIF | C22 H46 N4 O9 Si2 | P -1 | 10.2419; 11.9781; 13.8119 72.61; 89.884; 68.752 | 1496.25 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
4519411 | CIF | C14 H28 N2 O4 Si2 | P 1 21/c 1 | 18.6575; 6.3147; 16.0768 90; 96.139; 90 | 1883.25 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
4519412 | CIF | C24 H40 Cl6 N4 O8 Si2 | P -1 | 9.773; 11.6396; 16.0521 86.509; 75.909; 86.201 | 1765.26 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
4519413 | CIF | C16 H32 N2 O4 Si2 | P -1 | 7.6684; 8.5044; 8.923 67.142; 66.196; 88.7 | 484.36 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
4519414 | CIF | C28 H48 Cl6 N4 O8 Si2 | P 1 21/c 1 | 9.3555; 19.1906; 10.8119 90; 91.602; 90 | 1940.38 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
4519415 | CIF | C15 H12 F3 N O2 | A e a 2 | 26.638; 13.754; 7.5085 90; 90; 90 | 2751 | Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M. Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration. ACS omega, 2022, 7, 9867-9878 |
4519416 | CIF | C17 H12 F N O | P 1 21 1 | 7.1922; 7.5334; 12.289 90; 100.816; 90 | 654 | Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M. Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration. ACS omega, 2022, 7, 9867-9878 |
4519417 | CIF | C15 H15 N O | P 21 21 21 | 7.6501; 12.0632; 13.6914 90; 90; 90 | 1263.5 | Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation ACS Omega, 2022, 7, 10568-10579 |
4519418 | CIF | C16 H17 N O2 | P 21 21 21 | 5.731; 12.9388; 18.826 90; 90; 90 | 1395.99 | Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation ACS Omega, 2022, 7, 10568-10579 |
4519419 | CIF | C24 H26 O5 | P 1 21/n 1 | 8.6522; 32.232; 14.3606 90; 97.169; 90 | 3973.5 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
4519420 | CIF | C22 H22 O3 | P 1 21/c 1 | 8.8899; 9.4022; 20.6943 90; 100.172; 90 | 1702.54 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
4519421 | CIF | C24 H28 N2 O | C m c 21 | 21.798; 8.9774; 9.6932 90; 90; 90 | 1896.9 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
4519422 | CIF | C22 H22 O S2 | P 1 21/n 1 | 9.2176; 22.382; 18.333 90; 103.619; 90 | 3675.9 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
4519423 | CIF | C20 H18 O | P 1 21/c 1 | 9.4669; 18.2488; 9.3371 90; 115.269; 90 | 1458.72 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
4519424 | CIF | Na4 P2 S6 | I m -3 m | 8.4851; 8.4851; 8.4851 90; 90; 90 | 610.9 | Scholz, Tanja; Schneider, Christian; Terban, Maxwell W.; Deng, Zeyu; Eger, Roland; Etter, Martin; Dinnebier, Robert E.; Canepa, Pieremanuele; Lotsch, Bettina V. Superionic Conduction in the Plastic Crystal Polymorph of Na4P2S6 ACS Energy Letters, 2022, 1403-1411 |
4519425 | CIF | C4 H3 Na O5 | P 1 c 1 | 3.6294; 8.1444; 9.4044 90; 97.981; 90 | 275.29 | Zhang, Xiaodong; Cao, Dongxu; Yang, Daqing; Wang, Ying; Wu, Kui; Lee, Ming-Hsien; Zhang, Bingbing Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence ACS Materials Letters, 2022, 572-576 |
4519426 | CIF | C25 H15 N O4 | P -1 | 8.6432; 11.0448; 11.1069 62.407; 72.632; 84.054 | 896.1 | Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai Metal-Free C–C Cross Coupling: Electrosynthesis of Azaheterocycles through Anodic Oxidation Cyclization of 1,6-Enynes ACS Sustainable Chemistry & Engineering, 2022, 10, 3288-3294 |
4519427 | CIF HKL | C34 H64 N O8.5 | C 1 2 1 | 28.0367; 7.5296; 17.7558 90; 113.99; 90 | 3424.5 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519428 | CIF HKL | C30 H57 N O6 | P 1 21 1 | 13.9188; 7.9078; 14.5323 90; 110.581; 90 | 1497.44 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519429 | CIF HKL | C32 H63 N O7 | P 1 21 1 | 13.6675; 7.5914; 16.113 90; 97.613; 90 | 1657.08 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519430 | CIF HKL | C30 H53 N O4 | P 1 21 1 | 10.2444; 7.6716; 18.0614 90; 90.471; 90 | 1419.41 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519431 | CIF HKL | C32 H59 N O4 | P 1 21 1 | 11.8383; 7.727; 17.0565 90; 104.126; 90 | 1513.06 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519432 | CIF HKL | C30 H59 N O6 | P 21 21 21 | 7.573; 11.0104; 36.2681 90; 90; 90 | 3024.1 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519433 | CIF HKL | C27 H49 N O3 | P 1 21 1 | 12.9687; 6.8993; 14.8695 90; 106.707; 90 | 1274.3 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519434 | CIF HKL | C27 H49 N O3 | P 1 21 1 | 9.8247; 7.5533; 17.2646 90; 96.125; 90 | 1273.87 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
4519435 | CIF HKL | C22 H22 Cl2 Co N22 O8 | P 1 21/c 1 | 17.4712; 11.0286; 17.8449 90; 111.32; 90 | 3203.1 | Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes ACS Applied Energy Materials, 2022, 5, 11077-11090 |
4519436 | CIF HKL | C22 H22 Cl2 N22 Ni O8 | C 1 2/c 1 | 18.678; 10.7344; 16.0745 90; 98.829; 90 | 3184.7 | Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes ACS Applied Energy Materials, 2022, 5, 11077-11090 |
4519447 | CIF | C2 Mg O6 Ra | R -3 m :H | 5.1227; 5.1227; 17.2957 90; 90; 120 | 393.067 | Pimentel, Carlos; Pina, Carlos M.; Sainz-Díaz, C. Ignacio New Insights into Dolomite and Dolomite-Analogue Structures from First Principles Calculations ACS Earth and Space Chemistry, 2022, 6, 2360-2367 |
7061065 | CIF | C29 H27 N O4 | P 1 21/n 1 | 13.578; 11.198; 15.831 90; 94.443; 90 | 2399.8 | Hazarika, Hemanta; Chutia, Kangkana; Das, Babulal; Gogoi, Pranjal One-pot synthesis of 3-substituted-3-hydroxyindolin-2-ones: three component coupling of N-protected isatin, aryne precursor and 1,3-cyclodione under metal-free conditions New Journal of Chemistry, 2022, 46, 86-96 |
7061067 | CIF | C30 H32.5 N4 O5.25 | P 1 21/c 1 | 9.7391; 25.2387; 11.2459 90; 93.42; 90 | 2759.3 | Shatokhin, Stanislav S.; Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Markova, Alina A.; Pozdnyakov, Dmitry I.; Denisov, Gleb L.; Melnikova, Elizaveta K.; Bulychev, Boris M.; Oganesyan, Eduard T. Synthesis, cytotoxicity and antioxidant activity of new 1,3-dimethyl-8-(chromon-3-yl)-xanthine derivatives containing 2,6-di-tert-butylphenol fragments New Journal of Chemistry, 2022, 46, 621-631 |
7061068 | CIF | C114 H108 Al Cl4 N64 O53 | I 1 2/c 1 | 28.162; 22.226; 28.39 90; 90.21; 90 | 17770 | Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe New Journal of Chemistry, 2022, 46, 97-102 |
7061080 | CIF | C38 H35 O6 Sn | P -1 | 11.815; 11.9686; 12.7177 67.247; 78.484; 85.626 | 1625.06 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
7061081 | CIF | C40 H40 O6 Sn | P -1 | 8.2279; 12.1695; 18.0429 85.696; 89.597; 75.392 | 1743.16 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
7061082 | CIF | C40 H40 O6 Sn | P -1 | 8.2415; 12.1785; 18.0555 85.719; 89.598; 75.364 | 1748.39 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
7061083 | CIF | C34 H28 O6 Sn | P 1 21/c 1 | 11.5018; 14.9532; 17.597 90; 99.344; 90 | 2986.33 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
7061084 | CIF | C34 H32 O8 Sn | P 1 21/n 1 | 9.466; 16.2902; 19.8338 90; 98.453; 90 | 3025.21 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
7061088 | CIF | C24 H27 Br N2 O6 | P -1 | 10.1274; 10.9703; 11.701 105.831; 108.602; 98.017 | 1148.2 | Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry, 2022, 46, 592-598 |
7061089 | CIF | C34 H32 N2 O6 | P -1 | 9.569; 10.7671; 14.771 95.207; 105.767; 94.81 | 1449.2 | Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry, 2022, 46, 592-598 |
7061090 | CIF | C28 H33 N2 O6 | P -1 | 8.1765; 11.7233; 14.474 103.629; 93.336; 100.024 | 1320.6 | Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry, 2022, 46, 592-598 |
7061091 | CIF | C16 H18 O2 P S2 Tl | P 1 21/c 1 | 10.9662; 11.3253; 14.7907 90; 100.286; 90 | 1807.42 | Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations New Journal of Chemistry, 2022, 46, 832-843 |
7061092 | CIF | C18 H22 O2 P S2 Tl | P -1 | 8.4373; 9.6672; 12.6725 107.092; 95.785; 90.443 | 982.2 | Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations New Journal of Chemistry, 2022, 46, 832-843 |
7061093 | CIF | C29 H18 Br N3 S2 | P -1 | 9.7483; 11.0899; 13.2845 94.979; 109.185; 114.518 | 1191.75 | Chernick, Erin T.; Abdollahi, Maryam F.; Tabasi, Zahra A.; Junge, Marc J.; Zhao, Yuming Study of a carbazole–bromobenzothiadiazole derived fluorescent molecular rotor: crystal structure, redox activity, and solvatofluorochromic effects New Journal of Chemistry, 2022, 46, 572-581 |
7061094 | CIF | C25 H31 Cl N3 P | P 21 21 21 | 10.1489; 12.9048; 19.8932 90; 90; 90 | 2605.4 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061095 | CIF | C52 H64 B2 Cl2 F8 N6 P2 Pd | P 1 21/c 1 | 12.9302; 18.6083; 22.9758 90; 92.54; 90 | 5522.8 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061096 | CIF | C53 H68 Cl4 N6 O P2 Pd | P 1 21/c 1 | 21.5183; 14.4903; 19.5743 90; 115.795; 90 | 5495.2 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061097 | CIF | C28 H36 Cl2 N3 O P Pd | P 1 21/c 1 | 8.573; 32.934; 21.093 90; 96.416; 90 | 5918.2 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061098 | CIF | C25 H30 N3 P Se | P 1 21/c 1 | 14.1735; 9.6026; 17.3982 90; 96.21; 90 | 2354.04 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061099 | CIF | C27 H36 Cl2 N3 O P Pt S | P 1 21/c 1 | 13.5803; 10.3485; 21.273 90; 96.195; 90 | 2972.16 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061100 | CIF | C25.4 H30.8 Cl2.8 N3 P Pt | P 4/n :2 | 25.1425; 25.1425; 8.4349 90; 90; 90 | 5332.1 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061101 | CIF | C25 H31 Cl N3 P Se | P b c a | 11.1802; 13.5729; 33.3512 90; 90; 90 | 5060.97 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061102 | CIF | C27 H34 Cl3 N4 P Pd | P -1 | 9.3439; 10.3772; 16.5278 91.699; 97.475; 110.848 | 1479.94 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061103 | CIF | C39 H54 Cl2 N3 O2 P Pt | P 1 21/n 1 | 10.7829; 27.7176; 13.6704 90; 94.11; 90 | 4075.2 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061104 | CIF | C28 H35 Cl N3 P Pd | P 1 21/c 1 | 8.6425; 13.5124; 24.174 90; 97.545; 90 | 2798.6 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
7061105 | CIF | C40 H48 N2 O2 | P 1 21/c 1 | 36.4315; 7.1569; 6.7041 90; 92.239; 90 | 1746.67 | Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry, 2022, 46, 1339-1346 |
7061106 | CIF | C40 H48 N2 O2 | P -1 | 8.3073; 14.2311; 15.9393 65.653; 85.245; 78.854 | 1684.4 | Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry, 2022, 46, 1339-1346 |
7061107 | CIF | C40 H48 N2 O2 | P -1 | 6.9341; 6.9886; 18.4291 94.532; 93.486; 103.581 | 862.48 | Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry, 2022, 46, 1339-1346 |
7061108 | CIF | C17 H21 N3 O2 | P 1 21 1 | 9.684; 7.971; 10.899 90; 108.39; 90 | 798.342 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061109 | CIF | C18 H23 N3 O2 | P 1 21/c 1 | 6.713; 18.2866; 13.4679 90; 92.78; 90 | 1651.3 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061110 | CIF | C20 H26 Cs N3 O5 | P 1 21/n 1 | 8.1311; 18.283; 14.9298 90; 101.015; 90 | 2178.59 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061111 | CIF | C16 H19 N3 O2 | P 1 21/n 1 | 11.3849; 9.9562; 13.2945 90; 101.34; 90 | 1477.52 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061112 | CIF | C22 H32 Cs N3 O7 | P 1 21/c 1 | 11.8674; 12.8807; 16.3307 90; 92.978; 90 | 2492.9 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061113 | CIF | C34 H41 N7 O4 | P -1 | 9.9053; 11.6377; 15.0249 86.844; 89.823; 69.381 | 1618.34 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061114 | CIF | C13 H10 Cl Cs N2 O5 | F d d 2 | 48.4669; 32.265; 4.4093 90; 90; 90 | 6895.2 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061115 | CIF | C22 H24 N4 O2 | P 1 21/c 1 | 13.0544; 13.0083; 11.711 90; 104.353; 90 | 1926.64 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061116 | CIF | C19 H25 N3 O2 | P 1 21/c 1 | 6.7988; 18.792; 13.5975 90; 94.066; 90 | 1732.9 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061117 | CIF | C17 H26 Cs N3 O8 S | P -1 | 7.6127; 11.657; 15.4167 101.296; 103.003; 105.412 | 1236.6 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061118 | CIF | C16 H19 N3 O3 | P 1 21/n 1 | 9.4773; 7.8846; 20.2726 90; 95.646; 90 | 1507.52 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061119 | CIF | C16 H19 N3 O2 S | P 1 21 1 | 9.6424; 8.0087; 10.9078 90; 109.047; 90 | 796.22 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061120 | CIF | C26 H29 Cs N6 O2 | P -1 | 9.5466; 11.0591; 14.5749 72.225; 80.49; 70.549 | 1378.2 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061121 | CIF | C20 H29 N3 O6 | P 1 21/c 1 | 12.097; 14.929; 11.827 90; 107.816; 90 | 2033.5 | Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry, 2022, 46, 1080-1086 |
7061122 | CIF | C42 H62 B F2 N5 O6 | P -1 | 12.5711; 13.4042; 14.1491 92.556; 105.136; 111.373 | 2117.2 | Polishchuk, Vladyslav; Kulinich, Andrii; Suikov, Sergey; Rusanov, Eduard; Shandura, Mykola ‘Hybrid’ mero-anionic polymethines with a 1,3,2-dioxaborine core New Journal of Chemistry, 2022, 46, 1273-1285 |
7061123 | CIF | C78.2 H71.55 Cl5.55 N4.45 O18.45 Zn4 | P -1 | 12.662; 13.459; 24.432 90.626; 96.747; 112.981 | 3799.3 | Meng, Wei; Sun, Lin; Long, Yuhao; Wang, Qianping; Zhou, Lian; Zhang, Jun A novel luminescent phosphor of a metal–organic framework with orange-red emission New Journal of Chemistry, 2022, 46, 933-935 |
7061124 | CIF | C20 H20 Cl2 Co N4 O2 | C 1 2/c 1 | 18.645; 13.0336; 11.1471 90; 121.377; 90 | 2312.7 | Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold New Journal of Chemistry, 2022, 46, 521-532 |
7061125 | CIF | C26 H22 Cl2 Co N10 | P n a 21 | 18.2363; 7.2361; 19.5525 90; 90; 90 | 2580.14 | Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold New Journal of Chemistry, 2022, 46, 521-532 |
7061126 | CIF | C22 H14 Cl2 In N7 | P 1 21/n 1 | 9.1353; 19.683; 11.535 90; 93.588; 90 | 2070 | Han, Xu; Tong, Jialin; Ding, Guanyu; Sun, Chunyi; Wang, Xinlong; Su, Zhongmin; Sun, Jing; Wen, Li-Li; Shan, Guo-Gang A low-dimensional N-rich coordination polymer as an effective fluorescence sensor for 2,4,6-trinitrophenol detection in an aqueous medium New Journal of Chemistry, 2022, 46, 1551-1556 |
7061127 | CIF | C14 H30 I2 N2 | P 1 21/c 1 | 6.5208; 14.5116; 10.1283 90; 104.218; 90 | 929.05 | Deng, Chun-Lin; Cheng, Ming; Zavalij, Peter Y.; Isaacs, Lyle Thermodynamics of pillararene·guest complexation: blinded dataset for the SAMPL9 challenge New Journal of Chemistry, 2022, 46, 995-1002 |
7061128 | CIF | C17 H25 N5 S | P -1 | 9.7724; 14.4058; 14.7097 60.822; 88.336; 84.707 | 1800 | Selivanova, Galina; Skolyapova, Alexandrina; Wang, Jiaying; Karpova, Elena; Shundrina, Inna; Bagryanskaya, Irina; Amosov, Evgeny Azo dyes containing 1,3,4-thiadiazole fragment: synthesis and properties New Journal of Chemistry, 2022, 46, 1929-1942 |
7061129 | CIF | C17 H23 N5 O S | P 1 21/c 1 | 5.2794; 20.596; 16.72 90; 98.645; 90 | 1797.4 | Selivanova, Galina; Skolyapova, Alexandrina; Wang, Jiaying; Karpova, Elena; Shundrina, Inna; Bagryanskaya, Irina; Amosov, Evgeny Azo dyes containing 1,3,4-thiadiazole fragment: synthesis and properties New Journal of Chemistry, 2022, 46, 1929-1942 |
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