Crystallography Open Database

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Searching year of publication is 2022

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1568020 CIFC30 H15 F2 N3 O6.62 Y1.5I 4/m17.7478; 17.7478; 25.9278
90; 90; 90		8166.85Balkus, 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 CIFC17 H16 B Br F4 N4 OP 21 21 219.7229; 11.8712; 15.4592
90; 90; 90		1784.3Duan, 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 CIFC44 H68 Br6 Mn5 O22P -110.965; 11.6978; 13.6443
111.74; 101.903; 90.098		1584.79Antico, 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 CIFC13 H22 O2 SiP b c a8.0671; 15.0932; 22.4852
90; 90; 90		2737.76Antico, 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 CIFC16 H22 O3 Si2P 1 21/n 112.9559; 10.4977; 28.982
90; 95.735; 90		3922Antico, 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 CIFC22 H12 F3 NP 1 21/c 126.91; 6.4608; 9.318
90; 94.442; 90		1615.2Liu, 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 CIFC22 H15 NP 1 21/c 117.626; 7.6841; 11.574
90; 100.988; 90		1538.8Liu, 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 CIFC156 H133.5 Cl4.5 F6 N13 O9P -115.6935; 17.9065; 25.3093
102.029; 94.298; 105.192		6649.5Mirabella, 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 CIFC333 H398 Ag30 B3 Cl33 N4 P8 Pt S14P -121.6934; 23.8539; 34.402
96.755; 100.906; 100.248		16989.5Wang, 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 CIFC16 H15 F3 N6 O2 SP 1 21/n 111.715; 7.738; 19.834
90; 95.723; 90		1789Hu, 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 CIFC66 H58 F16 S8P n a 2134.3683; 28.4432; 5.4447
90; 90; 90		5322.44Turley, 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 CIFC56 H32 F16 O2 S8P -113.6071; 14.6029; 15.3344
97.914; 98.988; 110.147		2764.52Turley, 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 CIFC56 H32 F16 S8P -19.5286; 10.3554; 14.25
75.54; 89.177; 73.34		1301.9Turley, 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 CIFC54 H30 F16 N2 O2 S8P 42/n :219.8473; 19.8473; 13.1934
90; 90; 90		5197.08Turley, 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 CIFC49 H17 Cl3 F16 S8P -16.7916; 13.818; 15.064
78.57; 81.39; 82.79		1363.3Turley, 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 CIFC68 H36 F16 N4 S8P 1 21/c 15.89701; 32.2682; 16.4767
90; 95.0947; 90		3122.9Turley, 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 CIFCu4 Na4.39 O Se4I 4/m11.232; 11.232; 4.0301
90; 90; 90		508.43Zhou, 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 CIFCu11.19 Na10.21 O2 Se10C 1 2/m 115.772; 4.0654; 20.828
90; 110.33; 90		1252.3Zhou, 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 CIFCu7.7 Na5.3 O Se6C 1 2/m 115.714; 4.0699; 11.643
90; 93.15; 90		743.5Zhou, 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 CIFCu4 Na4.55 O S4I 4/m10.9081; 10.9081; 3.886
90; 90; 90		462.38Zhou, 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 CIFCu3 Na S2R -3 m :H3.936; 3.936; 22.003
90; 90; 120		295.2Zhou, 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 CIFCu11.4 Na9.74 O2 S10P 1 2/c 120.388; 7.7841; 15.311
90; 110.9; 90		2270Zhou, 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 CIFCu7.43 Na5.34 O S6C 1 2/m 115.278; 3.9247; 11.324
90; 91.89; 90		678.6Zhou, 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 CIFCu3.52 K4.33 O0.88 Se4I 4/m12.335; 12.335; 4.433
90; 90; 90		674.5Zhou, 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 CIFCu2.78 Na0.84 Se2C 1 2/m 17.0555; 4.0808; 7.9345
90; 108.39; 90		216.78Zhou, 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 CIFCu0.59 Li0.42 Na SP 4/n m m :23.9745; 3.9745; 6.548
90; 90; 90		103.44Zhou, 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 CIFCu0.65 Li0.35 Na SeP 4/n m m :24.1307; 4.1307; 6.815
90; 90; 90		116.28Zhou, 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 CIFBa Cu1.42 Li0.58 S2I 4 m m3.9191; 3.9191; 12.677
90; 90; 90		194.71Zhou, 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 CIFBa9 Cu13.46 Na4 O8 S12I 4/m20.247; 20.247; 3.9958
90; 90; 90		1638Zhou, 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 CIFBa0.44 Cu2.02 Rb0.56 Se2I 4/m m m4.0442; 4.0442; 13.357
90; 90; 90		218.46Zhou, 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 CIFBa1.89 Cu13.92 Na6 S12C 1 2/m 17.1315; 12.365; 14.892
90; 99.15; 90		1296.5Zhou, 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 CIFBa Cu7 K3 S6C 1 2/m 17.2499; 12.4798; 8.3691
90; 106.647; 90		725.48Zhou, 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 CIFBa2 Cu2 Na1.24 O1.25 S3C 1 2/m 122.188; 4.2597; 17.111
90; 91.544; 90		1616.6Zhou, 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 CIFBa1.89 Cu5.56 O Se4P n m a19.354; 4.2315; 12.261
90; 90; 90		1004.1Zhou, 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 CIFBa2 Cu2.8 O2 Se2I 4/m m m4.1491; 4.1491; 19.594
90; 90; 90		337.31Zhou, 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 CIFBa2 Cu2 Na0.55 O2 Se2I 4/m m m4.2049; 4.2049; 19.231
90; 90; 90		340.03Zhou, 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 CIFBa1.59 Cu1.92 K0.41 O1.86 Se2I 4 m m4.2047; 4.2047; 19.346
90; 90; 90		342.03Zhou, 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 CIFBa2 Cu1.79 O3 SP 4/n m m :24.0099; 4.0099; 16.532
90; 90; 90		265.82Zhou, 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 CIFBa0.63 Cu1.83 K0.87 S0.9 Se1.1P b a m7.483; 16.0919; 4.1041
90; 90; 90		494.2Zhou, 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 CIFCu10 K2 Se6P 42/m n m12.9183; 12.9183; 4.0117
90; 90; 90		669.48Zhou, 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 CIFCu6.09 Rb Se4I 4/m10.561; 10.561; 3.974
90; 90; 90		443.24Zhou, 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 CIFBa4 Cu12 Rb6 Se13I m -312.1735; 12.1735; 12.1735
90; 90; 90		1804.04Zhou, 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 CIFCu7.66 Na6 Se8P b a m7.417; 15.192; 3.9244
90; 90; 90		442.2Zhou, 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 CIFBa Cu7 K3 S6C 1 2/m 17.2523; 12.4863; 8.3687
90; 106.661; 90		726.01Zhou, 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 CIFMg P2 SiI -4 2 d5.7156; 5.7156; 10.074
90; 90; 90		329.1Chen, 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 CIFAl24 H72 O132 P24P 1 1 223.7976; 13.7337; 8.41344
90; 90; 89.6583		2749.71Kolokathis, 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 CIFCo Na O P SrP 1 21/a 19.20152; 5.265935; 13.54116
90; 90.0661; 90		656.131Bader, 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 CIFO7 Ti2 Y2F d -3 m :210.1109; 10.1109; 10.1109
90; 90; 90		1033.64Nishio-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 CIFCa2 O7 P2P -16.666; 6.722; 6.7374
65.113; 87.7634; 85.0755		272.849Sauskojus, 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 OP 32 2 19.5838; 9.5838; 23.227
90; 90; 120		1847.56Budzianowski, 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 CIFC6 H17 Br3 N2 OP 3 c 116.0425; 16.0425; 7.9666
90; 90; 120		1775.61Budzianowski, 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 O8P 1 21/c 111.6652; 20.9692; 11.0438
90; 113.609; 90		2475.3Li, 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 O8P 1 21/c 111.6277; 20.8495; 11.0075
90; 113.689; 90		2443.7Li, 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 SP 1 21/c 17.2214; 6.6059; 25.962
90; 94.233; 90		1235.11Lobana, 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 SP b c a15.8897; 10.9845; 16.8393
90; 90; 90		2939.14Lobana, 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 SP 1 21/c 118.7299; 11.1592; 21.6646
90; 96.296; 90		4500.8Lobana, 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 S2P 1 21/c 17.6398; 14.393; 9.7339
90; 107.823; 90		1018.97Lobana, 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 Se2P -4 b 221.507; 21.507; 13.434
90; 90; 90		6214Malla, 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 OP 1 21/c 117.0494; 6.9334; 15.241
90; 108.635; 90		1707.19Rojkiewicz, 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 OP 1 21/c 114.0379; 10.3133; 11.4344
90; 96.829; 90		1643.7Rojkiewicz, 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 OP 1 21/n 17.1747; 7.8832; 24.9469
90; 93.765; 90		1407.94Rojkiewicz, 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 SP 1 21/n 19.8459; 10.953; 12.6881
90; 91.524; 90		1367.83Wzgarda-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 SP 1 21/n 17.392; 11.2356; 16.674
90; 101.33; 90		1357.8Wzgarda-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 O8P 1 21 15.1153; 7.1849; 18.4639
90; 96.817; 90		673.8Akram, 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 O8P 1 21 15.1153; 7.1849; 18.4639
90; 96.817; 90		673.8Akram, 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 O26P n a 2123.5976; 11.8723; 22.2989
90; 90; 90		6247.2Patel, 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 O3P 1 21/c 114.1863; 7.4446; 18.338
90; 90.3606; 90		1936.66Yu, 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 TeP b c n9.3633; 14.2339; 17.7479
90; 90; 90		2365.37Shibuya, 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 N15.8P -111.9972; 12.8711; 13.0907
62.528; 82.929; 77.21		1748.47Sünkel, 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 SP 21 21 215.4591; 9.6001; 25.0301
90; 90; 90		1311.78Grześkiewicz, 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 SP 21 21 215.1311; 9.1135; 28.4
90; 90; 90		1328.05Grześkiewicz, 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 SP 1 21/n 114.0829; 7.749; 14.6419
90; 116.329; 90		1432.09Grześkiewicz, 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 SP n a 2118.4026; 10.90882; 7.37881
90; 90; 90		1481.3Grześkiewicz, 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 SP 1 21/c 17.22965; 37.4539; 10.85314
90; 90.0541; 90		2938.8Grześkiewicz, 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 SP 21 21 215.4341; 13.322; 20.9587
90; 90; 90		1517.26Grześkiewicz, 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 SP 21 21 215.3187; 8.3866; 36.019
90; 90; 90		1606.66Grześkiewicz, 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 SP 1 21/n 110.927; 7.2754; 40.2818
90; 93.094; 90		3197.7Grześkiewicz, 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 SP 1 21/n 112.252; 7.0563; 19.1866
90; 100.261; 90		1632.22Grześkiewicz, 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 O13P 1 21 113.88124; 15.36081; 5.59335
90; 94.9763; 90		1188.16Kaduk, 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 O13P 1 21 113.8811; 15.3608; 5.5934
90; 94.98; 90		1188.15Kaduk, 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 O3P -19.8671; 10.6765; 11.8719
85.77; 86.907; 63.586		1116.73Jiang, 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 Zn2P -18.03; 10.1184; 14.4723
87.217; 89.232; 83.518		1166.95Jiang, 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 O8F d d d :217.9185; 18.0874; 26.5146
90; 90; 90		8593.4Tiwari, 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 O6P 1 21/n 118.4889; 10.9722; 19.1517
90; 94.035; 90		3875.6Trieu-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 CIFC26 H32 Mo N4 O6P -19.601; 12.86; 21.428
91.44; 91.49; 93.22		2639.68Trieu-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 O2C m c e14.3402; 14.2577; 13.1777
90; 90; 90		2694.3Chang, 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 VP 1 21/c 110.985; 17.243; 18.532
90; 101.014; 90		3445.6Kucera, 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 VP 1 2 110.3028; 8.6409; 14.5778
90; 108.835; 90		1228.3Kucera, 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 V2P -19.1729; 9.3501; 27.928
89.695; 88.67; 83.918		2381.2Kucera, 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 VP -19.6431; 14.4883; 20.804
74.992; 84.667; 71.815		2667Kucera, 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 VP -112.4421; 13.9771; 15.1934
97.35; 93.436; 101.178		2561Kucera, 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 V2P -110.9951; 12.0777; 13.502
78.594; 68.517; 78.738		1620.6Kucera, 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 O12I a -322.27; 22.27; 22.27
90; 90; 90		11045Chen, 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 O5P 21 21 215.3043; 11.1405; 22.6067
90; 90; 90		1335.89Budow-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 O8P -18.697; 9.203; 15.916
75.369; 82.049; 89.151		1220.5Smith, 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 O7P b c a16.208; 14.849; 18.052
90; 90; 90		4345Smith, 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 O7P 1 21 17.6238; 23.318; 12.655
90; 100.677; 90		2210.8Smith, 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 S2P -110.1813; 10.2237; 15.0154
73.446; 82.398; 61.781		1320.11Blake, 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 S2P -18.4426; 8.5739; 11.8497
96.585; 99.023; 95.313		836.19Blake, 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 S5C 1 2/c 128.537; 8.4362; 27.216
90; 119.94; 90		5677.7Blake, 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 N3P 1 21/n 110.4887; 6.9632; 19.8755
90; 99.441; 90		1431.94Broadhurst, 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 N3P 1 21/n 110.416; 6.8137; 19.69
90; 99.691; 90		1377.49Broadhurst, 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 N3P 1 21/n 110.3807; 6.743; 19.605
90; 99.757; 90		1352.4Broadhurst, 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 N3P 1 21/n 110.3374; 6.629; 19.466
90; 99.78; 90		1314.6Broadhurst, 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 N3P 1 21/n 110.3045; 6.5805; 19.408
90; 99.823; 90		1296.74Broadhurst, 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 N3P 1 21/n 110.276; 6.5173; 19.3323
90; 99.826; 90		1275.73Broadhurst, 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 N3P 1 21/n 110.2411; 6.4507; 19.247
90; 99.913; 90		1252.5Broadhurst, 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 N3P 1 21/n 110.2225; 6.4019; 19.203
90; 99.864; 90		1238.1Broadhurst, 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 N3P 1 21/n 110.1831; 6.3399; 19.111
90; 99.868; 90		1215.5Broadhurst, 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 N3P 1 21/n 110.1864; 6.3323; 19.118
90; 99.822; 90		1215.1Broadhurst, 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 N3P 1 21/n 110.1302; 6.2215; 18.955
90; 99.899; 90		1176.85Broadhurst, 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 N3P 1 21/n 110.0953; 6.1527; 18.8502
90; 99.934; 90		1153.29Broadhurst, 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 N3P 1 21/n 110.0607; 6.0918; 18.733
90; 99.951; 90		1130.8Broadhurst, 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 N3P 1 21/n 110.0326; 6.0553; 18.571
90; 100.029; 90		1111Broadhurst, 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 N3P 1 21/n 110.0002; 6.0842; 18.352
90; 100.026; 90		1099.54Broadhurst, 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 N3P 1 21/n 19.9832; 6.0752; 18.29
90; 100.005; 90		1092.4Broadhurst, 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 N3P 1 21/n 19.9663; 6.0642; 18.252
90; 100.025; 90		1086.3Broadhurst, 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 SP 1 21/n 111.039; 6.7554; 15.6951
90; 91.905; 90		1169.78Shahbaz, 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 O4P 1 21/n 14.6003; 6.2969; 30.726
90; 90.886; 90		889.95Yeşilbağ, 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 O17P -18.606; 12.153; 13.562
77.48; 74.393; 72.198		1286.6Gallagher, 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 Zn3P -111.0968; 12.8319; 13.3134
111.703; 108.028; 93.125		1643.97Mbani 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 O4P 1 21/c 19.94703; 17.8262; 14.31
90; 92.0063; 90		2535.86Grosu, 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 O4P 1 21/c 19.7816; 18.3758; 14.1998
90; 91.029; 90		2551.93Grosu, 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 O4P 1 21/c 19.76826; 18.481; 14.42279
90; 90.7205; 90		2603.5Grosu, 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 O4P 1 21/c 19.77352; 19.3316; 14.3425
90; 90.3045; 90		2709.8Grosu, 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 O5P 1 21/c 110.25267; 19.21448; 14.29015
90; 90.1353; 90		2815.15Grosu, 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 O3P 1 21/c 110.0422; 18.3553; 14.4134
90; 91.5895; 90		2655.77Grosu, 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 O3P 1 21/c 19.92522; 17.86566; 14.34306
90; 91.437; 90		2542.52Grosu, 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 S3P 1 21/c 126.461; 21.2115; 9.2552
90; 90.044; 90		5194.73Li, 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 O4P 21 21 214.9935; 7.1864; 33.3673
90; 90; 90		1197.4Zhang, 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 P6.012P 19.449; 9.449; 6.908
90; 90; 120		534.14Arnold, 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 O3P -110.0118; 11.8026; 13.6496
65.234; 73.354; 78.437		1397.18González-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 O4P c a 2113.6888; 11.037; 9.6269
90; 90; 90		1454.46González-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 P2P 1 21/n 15.13; 8.6729; 6.8473
90; 97.104; 90		302.311Kiriukhina, 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 P2P -14.8292; 5.4051; 6.5968
72.716; 86.579; 69.064		153.35Kiriukhina, 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 O664C 1 2/c 154.272; 38.896; 31.734
90; 112.145; 90		62048Al-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 O9P 1 21 15.9097; 7.7974; 11.7206
90; 97.816; 90		535.07Belhouas, 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 SP -19.3699; 15.3897; 16.0267
92.6869; 105.154; 100.015		2186.3Takase, 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 S2P 1 21/c 112.6556; 14.0986; 17.4421
90; 108.535; 90		2950.7Takase, 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 O3P 1 21/c 110.8897; 10.6951; 9.0496
90; 108.059; 90		1002.05Gordon, 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 O3P 1 21/c 111.3076; 10.8912; 9.0769
90; 106.673; 90		1070.85Gordon, 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 O3P 1 21/c 111.4762; 5.437; 9.1941
90; 92.848; 90		572.97Gordon, 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 O2P b c a8.77; 11.658; 23.843
90; 90; 90		2437.7van 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 O2P b c a8.859; 12.038; 23.805
90; 90; 90		2538.7van 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 O3P 1 21/c 112.9151; 11.3061; 12.5239
90; 90.6281; 90		1828.62van 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 O2P b c a6.9163; 12.5609; 19.9264
90; 90; 90		1731.11Ranaweera, 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 OP 1 21/c 17.1902; 18.5341; 14.2507
90; 102.814; 90		1851.81Kaspiaruk, 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 O2P -18.0766; 11.5926; 13.0383
115.423; 99.068; 94.776		1073.06Kaspiaruk, 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 O1.5P 1 21/c 18.063; 33.261; 16.5481
90; 117.864; 90		3923.4Kaspiaruk, 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 ReP -19.9301; 10.1686; 12.7882
80.948; 71.899; 88.682		1211.6Schutte-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 ReP -18.5413; 8.7024; 20.376
102.221; 93.891; 109.093		1383.3Schutte-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 SP 1 21/n 114.987; 10.835; 15.997
90; 100.49; 90		2554.2Jo, 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 SP 1 21/c 18.4347; 15.5581; 14.9879
90; 100.31; 90		1935.07Jo, 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 O2.5P 31 2 110.5989; 10.5989; 28.4478
90; 90; 120		2767.58Turza, 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 O2P 1 21 110.8409; 10.225; 16.4751
90; 93.759; 90		1822.31Turza, 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 O7P 43 21 210.70311; 10.70311; 68.7275
90; 90; 90		7873.19Turza, 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 O5P 21 21 2110.3088; 12.9337; 29.6661
90; 90; 90		3955.41Turza, 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 O33P 1 21/n 19.0957; 17.4571; 11.5422
90; 95.107; 90		1825.45Zhou, 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 O32P 1 21/n 19.3197; 17.6285; 11.2707
90; 94.131; 90		1846.88Zhou, 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 O5P 21 21 217.2057; 11.0792; 41.2346
90; 90; 90		3291.9Mei, 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 S2P 1 c 14.9916; 10.8497; 10.0075
90; 98.411; 90		536.15Çakmak, 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 O22C 1 c 19.4539; 29.9892; 13.1934
90; 106.454; 90		3587.3Nirmal 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 O7P 1 21/c 16.2591; 11.1312; 17.2257
90; 98.646; 90		1186.5Nirmal 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 O4P c a 2123.7648; 8.5785; 6.9373
90; 90; 90		1414.28Kochel, 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 O6P b c n21.9637; 12.4106; 11.5844
90; 90; 90		3157.71Kochel, 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 O2P 1 21/n 19.4503; 12.7805; 10.9605
90; 100.687; 90		1300.84Bosch, 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 O2P 1 21/n 110.4088; 5.32; 23.5462
90; 91.606; 90		1303.35Bosch, 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 O2P 1 21/n 110.2264; 5.3123; 23.281
90; 92.048; 90		1263.9Bosch, 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 OP n a 2115.58979; 10.33883; 9.91195
90; 90; 90		1597.61Naghiyev, 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 N8P -17.7235; 9.4051; 10.5846
112.585; 102.828; 92.852		684.36Setifi, 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 N8P 1 21/c 17.4901; 18.3242; 10.6219
90; 110.017; 90		1369.79Setifi, 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 OP 1 21/n 18.7252; 7.7772; 10.7406
90; 97.969; 90		721.79Jeyaraman 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 O3P 1 21 17.9887; 6.6098; 11.4753
90; 102.08; 90		592.52Jeyaraman 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 O7P 1 21/c 15.4175; 22.634; 11.3668
90; 98.696; 90		1377.8Jeyaraman 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 SP -15.781; 12.717; 14.655
67.751; 78.78; 82.94		976.7Branowska, 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 SP 1 21/n 110.919; 8.0871; 24.875
90; 96.65; 90		2181.8Branowska, 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 S7C 1 c 116.8354; 6.787; 10.1499
90; 93.71; 90		1157.32Craig, 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 O4P 1 21/c 16.7134; 15.9685; 13.3879
90; 93.999; 90		1431.73Çakmak, 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 O4P 1 21/n 112.5769; 7.5529; 18.5933
90; 99.863; 90		1740.11Shen, 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 N4C 1 2/c 120.3512; 6.4815; 18.049
90; 100.452; 90		2341.3DeLancey, 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 OP 1 21/c 18.1632; 20.847; 12.1387
90; 95.024; 90		2057.8DeLancey, 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 N4P b c n9.2912; 11.9579; 17.267
90; 90; 90		1918.4DeLancey, 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 N2P n m a11.205; 6.687; 8.373
90; 90; 90		627.4van 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 SP 1 21/n 16.1202; 25.213; 10.5669
90; 106.403; 90		1564.2Kayukova, 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 SP -18.504; 12.229; 15.834
102.194; 91.589; 95.875		1599Kayukova, 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 SP 1 21/c 18.2022; 6.3857; 34.166
90; 110.022; 90		1681.35Kayukova, 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 S2P -16.2286; 8.5209; 16.2157
84.881; 79.671; 84.66		840.68Kayukova, 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 SP -18.4423; 12.0126; 20.3063
100.315; 96.533; 95.678		1997.85Kayukova, 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 SP 1 21/c 111.0524; 19.127; 8.8414
90; 107.131; 90		1786.1Kayukova, 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 NP 1 21/c 113.5921; 12.7103; 7.6215
90; 103.133; 90		1282.25Vera, 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 NC 1 2/c 117.2696; 10.8096; 16.1495
90; 91.44; 90		3013.8Vera, 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 NC 1 2/c 130.5651; 3.8629; 25.5357
90; 110.497; 90		2824.1Vera, 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 SP 21 21 216.72815; 11.24661; 15.51195
90; 90; 90		1173.77Cheng, 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 SP 21 21 216.72595; 11.23408; 15.51954
90; 90; 90		1172.65Cheng, 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 O3P -16.8722; 11.0502; 11.209
65.618; 89.798; 87.085		774.14Wójcicka, 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 O4P 1 21/c 117.4344; 13.08; 7.0192
90; 92.315; 90		1599.37Wójcicka, 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 O6P -18.679; 8.751; 15.137
92.24; 106.06; 109.46		1030.7Wójcicka, 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 O2P 1 21/m 14.181; 15.0336; 6.797
90; 96.506; 90		424.48Bosch, 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 O2P 1 21/m 13.9721; 14.164; 6.7971
90; 96.486; 90		379.96Bosch, 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 O2P 1 21/m 13.8115; 13.6452; 6.8976
90; 94.632; 90		357.56Bosch, 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 SP b c a9.935; 17.5133; 21.4662
90; 90; 90		3735Priyanka, 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 S3P b c n8.4728; 6.01563; 6.1537
90; 90; 90		313.649Yoshiasa, 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 S3P b c n8.4672; 5.98537; 6.13921
90; 90; 90		311.131Yoshiasa, 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 O7P 1 21/c 17.4465; 8.0745; 23.16
90; 94.31; 90		1388.6An, 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 O7P 1 21/n 110.1105; 12.0603; 21.2013
90; 103.067; 90		2518.3An, 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 O6P 19.4726; 10.3; 15.3583
73.378; 88.382; 86.4		1432.94Mohammed, 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 FeP -17.0903; 7.4318; 13.8071
88.745; 84.993; 77.728		708.21Blockhaus, 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 FeP -16.9395; 7.0548; 8.9271
67.577; 76.16; 86.461		392.06Blockhaus, 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 HgP 1 21/n 18.9784; 14.0971; 15.8485
90; 90.689; 90		2005.79Blockhaus, 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 NP -19.623; 10.13; 10.151
104.686; 103.935; 98.024		907.6Gupta, 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 P3P 1 21/c 115.0438; 13.42; 25.3937
90; 100.933; 90		5033.6Kong, 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 OP n m a9.7906; 9.6859; 9.8673
90; 90; 90		935.72Mandal, 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 PP -19.492; 10.0234; 12.0606
81.515; 74.038; 67.798		1020.21Allen, 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 O8P 1 21/c 114.7026; 8.5449; 16.9929
90; 92.8; 90		2132.31Boutebdja, 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 NP 1 21/c 113.0128; 27.1423; 13.9114
90; 109.485; 90		4632.07Milewski, 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 O5P 21 21 217.1687; 10.6689; 23.4887
90; 90; 90		1796.47Felczak, 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 O5P 21 21 217.1815; 10.684; 23.5104
90; 90; 90		1803.89Felczak, 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 SP b c a11.0392; 8.1756; 23.3673
90; 90; 90		2108.95De 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 SeP b c a11.1945; 7.1006; 25.4725
90; 90; 90		2024.75De 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 SeP b c a11.1735; 7.1222; 26.1875
90; 90; 90		2084De 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 SP b c a10.9919; 6.9945; 26.4076
90; 90; 90		2030.29De 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 Mn4P 4/m m m6.3116; 6.3116; 9.944
90; 90; 90		396.13Pavlyuk, 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 SP 1 21/c 19.5015; 11.992; 31.506
90; 95.785; 90		3571.6Shishkina, 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 SP -17.2868; 10.6462; 11.5637
87.896; 76.578; 87.155		871.2Shishkina, 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 O18P 1 21/c 111.7438; 15.8026; 12.5832
90; 100.074; 90		2299.22Lian, 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 O3P m -3 m4.5226; 4.5226; 4.5226
90; 90; 90		92.5Fábry, 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 PP 1 21/n 19.8195; 9.8992; 16.2764
90; 94.985; 90		1576.17Hasija, 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 PP -18.4356; 9.2086; 11.2129
79.719; 86.293; 73.677		822.39Hasija, 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 PP -18.4547; 9.2155; 11.0953
79.742; 86.939; 72.784		812.55Hasija, 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 PP -18.4777; 9.2823; 11.4187
79.545; 85.778; 75.12		853.67Hasija, 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 PP -110.0639; 10.2306; 10.5227
107.907; 95.159; 118.01		874.05Hasija, 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 PP 1 21/n 19.6702; 18.1551; 10.1914
90; 110.184; 90		1679.4Hasija, 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 PP c a 2135.0174; 7.3265; 12.927
90; 90; 90		3316.5Hasija, 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 PP -110.06; 10.4577; 10.6104
109.098; 95.734; 116.967		898.35Hasija, 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 PC 1 2/c 124.8534; 7.2695; 19.7913
90; 103.346; 90		3479.16Hasija, 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 PP 1 21/c 110.3815; 9.3201; 17.813
90; 90.725; 90		1723.39Hasija, 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 PP -110.1285; 9.148; 17.8798
86.225; 90.171; 91.354		1652.6Hasija, 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 PC 1 2/c 125.2005; 7.3428; 19.8275
90; 103.083; 90		3573.69Hasija, 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 PP 1 21/c 110.1665; 9.3374; 17.5495
90; 94.912; 90		1659.83Hasija, 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 PP -19.2189; 10.0245; 10.0445
68.276; 84.831; 69.889		809.02Hasija, 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 O2P 1 21/c 114.2169; 3.76791; 13.7214
90; 102.298; 90		718.16Habermehl, 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 O2P -13.7718; 6.4792; 15.774
93.744; 92.189; 100.918		377.2Habermehl, 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 H12P 1 21/c 18.7976; 14.331; 7.986
90; 96.276; 90		1000.8Bakowicz, 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 H12P 1 21/c 18.7885; 14.26; 8.0361
90; 96.465; 90		1000.7Bakowicz, 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 H12P 1 21/c 18.672; 14.14; 8.197
90; 97.39; 90		997Bakowicz, 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 H12P 1 21/c 18.485; 13.72; 8.568
90; 99.15; 90		985Bakowicz, 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 H12P 1 21/c 18.444; 13.728; 8.5839
90; 99.365; 90		981.8Bakowicz, 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 H12P 1 21/c 18.782; 14.117; 7.9575
90; 96.241; 90		980.7Bakowicz, 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 H12P 1 21/c 18.785; 14.1121; 7.9525
90; 96.26; 90		980Bakowicz, 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 H12P 1 21/c 18.7518; 14.129; 7.9658
90; 96.24; 90		979.17Bakowicz, 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 H12P 1 21/c 18.7; 14.11; 7.995
90; 96.57; 90		975Bakowicz, 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 H12P 1 21/c 18.48; 13.582; 8.538
90; 99.2; 90		971Bakowicz, 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 O24P -17.7242; 9.0042; 13.3769
92.44; 96.223; 112.469		851.09Pal, 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 N3R -3 :H52.879; 52.879; 5.36308
90; 90; 120		12987.1Vilche, 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 SP 1 21/n 120.6752; 3.7474; 25.1061
90; 111.624; 90		1808.28Postnikov, 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 SP 1 21/n 120.7891; 3.8267; 25.145
90; 111.747; 90		1858Postnikov, 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 CIFAl5 Dy0.75 Gd0.75 Ho0.75 O12 Tb0.75I a -3 d12.08917; 12.08917; 12.08917
90; 90; 90		1766.81Pianassola, 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 CIFAl5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75I a -3 d12.0516; 12.0516; 12.0516
90; 90; 90		1750.39Pianassola, 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 CIFAl5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75I a -3 d12.0703; 12.0703; 12.0703
90; 90; 90		1758.55Pianassola, 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 O4P 21 21 2111.8862; 13.1419; 18.8884
90; 90; 90		2950.51Langer, 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 CIFC33 H52 O4P 21 21 2113.1807; 13.2466; 17.2198
90; 90; 90		3006.57Langer, 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 O4P 21 21 2113.02432; 12.99238; 16.69407
90; 90; 90		2824.92Langer, 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 O5P 21 21 2112.9136; 13.7752; 18.7441
90; 90; 90		3334.34Langer, 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 O4P 1 21/n 16.9129; 6.4872; 11.2465
90; 90.4816; 90		504.336Aree, 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 O4P 1 21/n 16.9146; 6.4963; 11.252
90; 90.49; 90		505.414Aree, 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 O4P 1 21/n 16.9165; 6.5072; 11.2575
90; 90.4987; 90		506.648Aree, 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 O4P 1 21/n 16.9184; 6.5187; 11.2646
90; 90.5108; 90		508.002Aree, 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 O4P 1 21/n 16.9209; 6.5336; 11.2726
90; 90.5215; 90		509.708Aree, 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 O4P 1 21/n 16.9254; 6.5582; 11.2866
90; 90.5441; 90		512.593Aree, 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 O4P 1 21/n 16.9303; 6.5873; 11.3017
90; 90.5672; 90		515.92Aree, 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 O4P 1 21/n 16.935; 6.619; 11.3172
90; 90.5886; 90		519.463Aree, 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 O4P 1 21/n 16.9413; 6.6532; 11.3353
90; 90.608; 90		523.46Aree, 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 O4P 1 21/n 16.9484; 6.6942; 11.3547
90; 90.618; 90		528.12Aree, 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 O0.75R -3 m :H7.3806; 7.3806; 31.5783
90; 90; 120		1489.71Chernyshov, 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 O0.75R -3 m :H7.3869; 7.3869; 31.2243
90; 90; 120		1475.53Chernyshov, 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 O0.75R -3 m :H7.4091; 7.4091; 31.216
90; 90; 120		1484.02Chernyshov, 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 P2P -110.321; 15.231; 15.663
82.73; 80.201; 71.847		2298.4Zheng, 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 O15P -312.3686; 12.3686; 21.1962
90; 90; 120		2808.21Filatov, 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 O12P -17.56; 9.7304; 11.9386
84.368; 87.579; 70.534		823.99Filatov, 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 O30R -3 :H10.2003; 10.2003; 29.408
90; 90; 120		2649.9Filatov, 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 Zn2C 1 2 112.05; 8.11; 31.47
90; 92.48; 90		3073Rey, 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 O12P 1 21 113.9887; 6.891; 14.3405
90; 109.51; 90		1303Rey, 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 O8P 1 21/c 111.279; 5.5252; 17.45
90; 96.84; 90		1079.7Rey, 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 O9P 17.245; 7.251; 16.014
91.685; 97.664; 112.798		765.6Rey, 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 CIFC22 H32 Cu N4 O9P 1 21 113.9687; 6.8845; 14.3443
90; 109.401; 90		1301.13Rey, 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 Sm0.93R 3 2 :H9.5638; 9.5638; 7.579
90; 90; 120		600.349Smirnova, 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 Sm0.93R 3 2 :H9.5635; 9.5635; 7.5823
90; 90; 120		600.572Smirnova, 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 Sm0.93R 3 2 :H9.5642; 9.5642; 7.5883
90; 90; 120		601.136Smirnova, 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 Sm0.93R 3 2 :H9.565; 9.565; 7.5972
90; 90; 120		601.941Smirnova, 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 SmR 3 2 :H9.5665; 9.5665; 7.5911
90; 90; 120		601.647Smirnova, 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 SP 1 21/c 110.4613; 31.2244; 12.2241
90; 104.45; 90		3866.66Tobón 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 S2P 1 21/c 17.3063; 10.8907; 16.4396
90; 90.67; 90		1308.02Tobón 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 O5C 1 2/c 116.0117; 9.6657; 17.4382
90; 101.948; 90		2640.3Konovalova, 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 O5P 1 21/c 114.3254; 8.7613; 11.4085
90; 112.48; 90		1323.07Konovalova, 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 CIFC2 H6 O6P 1 21/c 16.0931; 3.4921; 11.8409
90; 103.842; 90		244.63Davidson, 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 OP 1 21/n 13.5885; 6.7605; 22.434
90; 92.748; 90		543.6Hoser, 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 CIFC5 H5 N3 OP 1 21/n 13.633; 6.753; 22.546
90; 92.39; 90		552.7Hoser, 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 CIFC5 H5 N3 OP 1 21/c 114.3433; 3.6086; 10.6023
90; 100.982; 90		538.72Hoser, 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 CIFC5 H5 N3 OP 1 21/c 114.328; 3.633; 10.628
90; 101.169; 90		542.7Hoser, 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 CIFC5 H5 N3 OP 1 c 17.1818; 3.6295; 10.6533
90; 106.377; 90		266.43Hoser, 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 CIFC5 H5 N3 OP 1 c 17.173; 3.65; 10.686
90; 106.487; 90		268.27Hoser, 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 CIFC5 H5 N3 OP -15.1026; 5.7083; 9.8487
97.526; 98.499; 106.564		267.37Hoser, 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 CIFC5 H5 N3 OP -15.128; 5.708; 9.857
97.45; 98.04; 106.55		269.45Hoser, 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 V3P n a m16.8658; 9.3282; 3.63523
90; 90; 90		571.92Schoiber, 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 V2.85P n a m16.879; 9.3325; 3.64357
90; 90; 90		573.95Schoiber, 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 O3P 17.1158; 13.118; 14.9298
91.25; 91.505; 99.452		1373.75Langer, 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 O3P 17.1484; 13.3087; 15.0523
92.456; 94.221; 98.518		1410.28Langer, 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 O4P 17.1965; 13.3283; 15.0866
92.599; 94.416; 98.623		1424.08Langer, 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 O3P 17.1971; 13.5381; 15.4611
94.146; 96.768; 96.674		1480.16Langer, 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 O3P 1 21 16.8066; 12.8648; 17.883
90; 94.885; 90		1560.25Langer, 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 O4P 1 21 16.7857; 13; 17.8671
90; 94.87; 90		1570.44Langer, 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 O3P 1 21 16.8841; 12.2006; 17.7696
90; 89.794; 90		1492.46Langer, 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 O4P 21 21 2112.1308; 12.7614; 20.027
90; 90; 90		3100.3Langer, 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 O4P 21 21 2110.7032; 16.2471; 17.3698
90; 90; 90		3020.54Langer, 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 O3P 21 21 2110.3008; 16.2751; 17.6374
90; 90; 90		2956.85Langer, 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 O4P 21 21 2110.3043; 16.1852; 17.627
90; 90; 90		2939.78Langer, 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 Pb6.67P 1 21 120.4487; 7.4362; 20.4513
90; 119.953; 90		2694.5Cametti, 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 Pb6.67P 1 1 21/b10.2378; 20.4573; 7.4457
90; 90; 120.039		1349.96Cametti, 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 Pb5P 1 1 21/b10.2398; 20.4774; 7.4554
90; 90; 119.981		1354.1Cametti, 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 Pb3.33P 1 1 21/b10.2552; 20.4913; 7.4576
90; 90; 119.993		1357.29Cametti, 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 Pb6.67P 1 1 21/b10.2544; 20.5052; 7.4568
90; 90; 119.971		1358.26Cametti, 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 CIFAs3 Cl O12 Pb5P 63/m10.2722; 10.2722; 7.4537
90; 90; 120		681.13Cametti, 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 SP 1 21 17.9341; 8.014; 15.3431
90; 91.259; 90		975.34Mahmoudi, 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 PP 1 21/a 19.7872; 8.4868; 7.407
90; 100.43; 90		605.1Bogdanov, 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 PP 1 21/a 19.7823; 8.4929; 7.412
90; 100.44; 90		605.6Bogdanov, 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 PP 1 21/a 19.7272; 8.4963; 7.332
90; 100.45; 90		595.9Bogdanov, 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 PP 1 21/a 19.6758; 8.4905; 7.306
90; 100.43; 90		590.3Bogdanov, 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 PP 1 21/a 19.6118; 8.4921; 7.251
90; 100.4; 90		582.1Bogdanov, 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 PP 1 21/a 19.5551; 8.501; 7.182
90; 100.35; 90		573.9Bogdanov, 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 PP 1 21/a 19.4961; 8.5028; 7.127
90; 100.38; 90		566Bogdanov, 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 PP 1 21/a 19.4462; 8.5075; 7.057
90; 100.46; 90		557.7Bogdanov, 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 PP 1 21/a 19.3869; 8.5115; 6.98
90; 100.5; 90		548.3Bogdanov, 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 PP 1 21/a 19.3265; 8.5118; 6.889
90; 100.68; 90		537.4Bogdanov, 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 PP 1 21/a 19.2779; 8.5031; 6.835
90; 100.76; 90		529.7Bogdanov, 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 PP 1 21/a 19.2492; 8.5144; 6.769
90; 100.94; 90		523.4Bogdanov, 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 PP 1 21/a 19.2008; 8.5014; 6.745
90; 100.94; 90		518Bogdanov, 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 PP 1 21/a 19.1703; 8.4987; 6.695
90; 101.01; 90		512.2Bogdanov, 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 PP 1 21/a 19.1302; 8.4972; 6.657
90; 101; 90		507Bogdanov, 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 PP 1 21/a 19.1044; 8.4959; 6.628
90; 100.98; 90		503.3Bogdanov, 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 PP 1 21/a 19.07; 8.4856; 6.61
90; 100.98; 90		499.4Bogdanov, 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 SP 1 21/c 116.4064; 8.7386; 14.8229
90; 104.983; 90		2052.9Ragusa, 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 SeP b c a17.4279; 15.2522; 31.0253
90; 90; 90		8247Ragusa, 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 SP 1 21/c 113.0884; 12.976; 14.4293
90; 113.028; 90		2255.32Ragusa, 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 SeP 1 21/c 113.1365; 13.3024; 14.2478
90; 113.156; 90		2289.18Ragusa, 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 SP -17.9505; 8.5048; 18.2812
81.04; 89.926; 85.125		1216.54Ragusa, 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 SeP -18.0282; 8.4305; 18.3525
81.814; 89.706; 85.171		1225.08Ragusa, 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 SP -18.3022; 11.351; 15.5656
83.691; 87.18; 75.024		1408.1Ragusa, 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 SeP 1 21/n 111.0063; 22.9632; 11.1015
90; 93.024; 90		2801.9Ragusa, 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 SeP -18.4541; 8.5353; 22.0045
93.258; 90.198; 98.032		1569.59Ragusa, 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 SeC 1 2/c 113.2501; 11.0708; 45.509
90; 96.722; 90		6629.8Ragusa, 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 SP -18.7838; 14.2194; 15.1418
63.522; 74.494; 80.494		1628.9Ragusa, 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 SeP -18.8091; 14.2584; 15.1228
63.952; 74.061; 81.113		1639.67Ragusa, 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 SP n a 217.6668; 16.8546; 22.3786
90; 90; 90		2891.8Ragusa, 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 SP 21 21 218.208; 12.9974; 27.2463
90; 90; 90		2906.71Ragusa, 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 SeP 21 21 218.2583; 12.9953; 27.224
90; 90; 90		2921.65Ragusa, 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 S2C 1 2/c 139.0981; 17.0474; 7.3957
90; 94.344; 90		4915.2Ragusa, 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 Se2C 1 2/c 139.058; 17.2429; 7.4287
90; 94.012; 90		4990.8Ragusa, 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 S2P -17.502; 12.2475; 14.478
104.905; 95.822; 104.609		1224.1Ragusa, 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 Se2P -17.5969; 12.1995; 14.4439
104.613; 95.7464; 104.119		1237.43Ragusa, 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 S2P 1 21/c 113.3377; 15.2129; 13.0613
90; 109.998; 90		2490.41Ragusa, 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 S3P 1 21/c 139.226; 7.9811; 30.341
90; 106.162; 90		9123.3Ragusa, 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 SeP 1 21/n 18.0412; 30.07; 12.4774
90; 92.632; 90		3013.8Ragusa, 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 SP n a 217.8472; 16.1751; 21.7956
90; 90; 90		2766.5Ragusa, 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 Se2P 1 21/c 125.9292; 8.0709; 20.4309
90; 113.037; 90		3934.6Ragusa, 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 SP -17.917; 11.6457; 15.0306
67.358; 83.953; 72.067		1216.73Ragusa, 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 Se2P -17.9777; 11.7334; 15.0059
67.54; 82.671; 71.632		1231.91Ragusa, 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 V3P 63/m10.149; 10.149; 6.7957
90; 90; 120		606.19Matsuura, 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 P3P 63/m9.5773; 9.5773; 6.8033
90; 90; 120		540.43Matsuura, 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 O5I 1 2/a 18.6385; 6.6817; 11.6069
90; 107.466; 90		639.061Bojarowski, 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 H14P 21 21 218.0808; 8.1662; 20.3821
90; 90; 90		1345Bojarowski, 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 H14P 21 21 218.1019; 8.1922; 20.442
90; 90; 90		1356.8Bojarowski, 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 CIFAl0.1 B Fe0.45 Mg2.15 O5 Ti0.3P b a m9.246; 12.2731; 3.0092
90; 90; 90		341.48Biryukov, 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 BrP 1 21/n 15.5329; 9.9018; 7.0147
90; 100.309; 90		378.1Bujak, 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 BrP 1 21/n 15.5204; 9.8941; 6.9655
90; 100.34; 90		374.27Bujak, 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 BrP 1 21/n 15.5087; 9.8814; 6.9315
90; 100.379; 90		371.13Bujak, 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 BrP 1 21/n 15.2831; 9.491; 6.5957
90; 100.623; 90		325.05Bujak, 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 BrP 1 21/n 15.2524; 9.4479; 6.535
90; 100.664; 90		318.69Bujak, 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 BrP 1 21/n 15.173; 9.3305; 6.3822
90; 100.777; 90		302.61Bujak, 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 BrP 1 21/n 15.107; 9.206; 6.285
90; 101.08; 90		290Bujak, 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 IP 1 21/n 15.85463; 10.1532; 7.2722
90; 102.701; 90		421.71Bujak, 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 IP 1 21/n 15.83962; 10.1442; 7.2368
90; 102.705; 90		418.2Bujak, 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 IP 1 21/n 15.82719; 10.1348; 7.20284
90; 102.711; 90		414.956Bujak, 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 IP 1 21/n 15.5767; 9.7073; 6.8424
90; 102.262; 90		361.96Bujak, 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 IP 1 21/n 15.5292; 9.6336; 6.7597
90; 102.209; 90		351.92Bujak, 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 IP 1 21/n 15.4696; 9.5403; 6.6492
90; 102.28; 90		339.03Bujak, 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 IP 1 21/n 15.4335; 9.4863; 6.584
90; 102.191; 90		331.71Bujak, 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 O6P -17.0381; 12.2643; 12.4636
103.215; 97.797; 93.497		1032.92Scheepers, 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 O5P 1 21/n 18.7472; 16.9734; 13.248
90; 94.886; 90		1959.78Scheepers, 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 O4P -16.9734; 11.254; 13.4029
89.949; 82.689; 74.261		1003.55Scheepers, 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 O8P 1 21/n 16.9538; 18.9491; 15.9042
90; 99.261; 90		2068.35Scheepers, 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 O4P 1 21/c 16.9773; 20.6482; 10.5035
90; 98.764; 90		1495.56Scheepers, 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 O6P -16.8701; 12.1647; 12.1779
101.13; 92.818; 105.005		959.26Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109097 CIFC19 H23 N3 O6P 1 21/n 18.5777; 17.5407; 13.22
90; 96.605; 90		1975.86Scheepers, 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 O13C 1 2/c 141.7; 8.2992; 12.9536
90; 97.033; 90		4449.2Scheepers, 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 O2P 21 21 216.8913; 7.6898; 19.7527
90; 90; 90		1046.75Belov, 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 SP -18.6382; 9.8182; 12.1922
77.2839; 85.1708; 74.7224		972.65Kang, 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 SP 1 21/n 111.7685; 16.3641; 16.3798
90; 110.646; 90		2951.85Pirnazarova, 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 SiP -18.2422; 8.3075; 8.294
94.149; 103.012; 104.909		529.55Schmidt, 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 SiP -18.7737; 9.1715; 9.813
102.219; 90.613; 110.28		720.85Schmidt, 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 O2P n a 2117.3298; 14.1856; 6.5857
90; 90; 90		1618.99Gümüş, 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 N2P 1 21/c 15.6987; 8.311; 8.453
90; 106.954; 90		382.95Schrimpf, 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 N3P 1 21/n 111.8528; 10.9022; 24.927
90; 93.057; 90		3216.5Brennessel, 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 O2P -113.8912; 15.4941; 19.7902
85.342; 74.001; 70.884		3868.5Brennessel, 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 O6P 1 21/n 110.784; 9.754; 21.783
90; 91.864; 90		2290.1Brennessel, 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 O4C 1 2/c 110.6287; 12.374; 17.5419
90; 92.836; 90		2304.28Halz, 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 O4P n m a11.488; 6.4726; 15.2012
90; 90; 90		1130.32Halz, 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 O4P 1 21/c 110.8649; 10.6185; 11.3616
90; 118.422; 90		1152.78Halz, 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 OP 1 21/c 114.4934; 5.8247; 9.7836
90; 90.87; 90		825.83Novikov, 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 Rh3P 6/m m m5.4676; 5.4676; 3.10837
90; 90; 120		80.474Tokuda, 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 Rh3P 6/m m m5.4527; 5.4527; 3.11066
90; 90; 120		80.095Tokuda, 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 SmP 6/m m m5.4438; 5.4438; 3.11901
90; 90; 120		80.048Tokuda, 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 S4C 1 2/c 124.0667; 8.8282; 18.891
90; 125.619; 90		3262.76Krebs, 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 O4P 1 21/n 14.7339; 18.406; 11.88
90; 98.47; 90		1023.8Kansiz, 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 O6P 21 21 218.1864; 9.2061; 27.7903
90; 90; 90		2094.4Daoui, 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 O2P -18.2449; 9.1248; 12.1825
101.53; 102.729; 109.2		806.53Kurup, 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 OP -15.4384; 8.8298; 10.0744
102.501; 96.764; 91.415		468.387Guseinov, 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 Sb2P b c a23.5167; 16.1492; 24.0414
90; 90; 90		9130.3Clerc, 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 O3P b c a7.3514; 11.5539; 41.397
90; 90; 90		3516.2Daoui, 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 O10.24P -17.7687; 12.099; 12.572
85.843; 81.208; 83.107		1157.6Aigeldinger, 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 O5P -18.8579; 10.5336; 11.0893
62.282; 75.437; 88.241		882.03El 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 SP 21 21 215.9685; 11.058; 26.215
90; 90; 90		1730.2Simsek, 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 O2C 1 2/c 147.641; 10.1522; 7.8747
90; 97.091; 90		3779.6McAdam, 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 SiP 1 21 18.4627; 12.8187; 10.3926
90; 107.033; 90		1077.95Kirchhoff, 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 NP 21 21 216.7723; 7.1806; 20.542
90; 90; 90		998.94Kirchhoff, 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 S2P -18.4389; 8.8929; 9.7293
91.315; 106.113; 97.158		694.73Toro, 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 SP b c a11.036; 10.1005; 19.291
90; 90; 90		2150.4Kayukova, 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 SP b c a11.0924; 10.1898; 19.6434
90; 90; 90		2220.28Kayukova, 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 O8P -16.6211; 11.891; 12.389
116.32; 98.878; 98.39		838.1Subha, 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 S2P b c a9.5828; 8.8467; 17.64
90; 90; 90		1495.45Schultheiss, 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 S2P b c a9.716; 8.9709; 17.8577
90; 90; 90		1556.5Schultheiss, 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 OP 1 21 18.3063; 7.5842; 13.841
90; 104.174; 90		845.39Periyannan, 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 O0.5F d d d :27.2131; 13.8648; 53.4532
90; 90; 90		5345.8Kalle, 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 N2P b c a11.6878; 18.0941; 26.9604
90; 90; 90		5701.6Kalle, 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 SP 1 21/c 111.2378; 14.7792; 11.3165
90; 102.042; 90		1838.15Dhaene, 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 SP -19.8379; 10.8014; 13.2328
65.913; 87.752; 84.059		1276.82Dhaene, 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 SR -3 :H25.5231; 25.5231; 12.6225
90; 90; 120		7121.03Dhaene, 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 O4P -18.3057; 9.23; 14.397
95.338; 104.493; 112.592		964.23Vassilyeva, 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 Si9R -3 m :H10.163; 10.163; 16.5742
90; 90; 120		1482.54Morito, 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 W12P -112.0541; 12.0821; 12.705
73.18; 65.308; 64.345		1502.07Sifaki, 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 OP 21 21 215.852; 12.437; 12.444
90; 90; 90		905.7Rakhmonova, 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 O4P 1 21/n 18.51; 8.2525; 16.513
90; 93.76; 90		1157.19Rakhmonova, 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 SP -110.0643; 10.3592; 12.0685
83.296; 80.77; 75.638		1199.23Al-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 SC 1 2/c 116.1179; 11.8796; 16.5649
90; 91.974; 90		3169.9Rakhmonova, 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 SP 1 21/n 118.2782; 19.1455; 24.6978
90; 96.323; 90		8590.3Mohamed, 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 S4P -4 21 c15.6121; 15.6121; 11.8359
90; 90; 90		2884.9Park, 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 PtP m -3 m10.5089; 10.5089; 10.5089
90; 90; 90		1160.57Hiiuk, 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 PC 1 c 110.116; 12.186; 10.979
90; 98.26; 90		1339.4Udvardy, 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 S2P 1 21/c 18.2471; 9.9562; 15.7601
90; 98.967; 90		1278.2Luz, 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 S2P 1 21/c 18.4872; 9.9629; 15.6485
90; 97.052; 90		1313.18Luz, 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 Se2P 1 21/c 112.3864; 13.6816; 8.0982
90; 96.398; 90		1363.82Luz, 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 Se2P 1 21/c 112.9606; 13.5999; 8.0448
90; 95.585; 90		1411.27Luz, 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 MgP -18.7025; 9.0903; 9.2033
80.829; 81.151; 63.004		637.68Bachmann, 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 S4P -112.1536; 12.9256; 12.9374
76.629; 80.395; 80.578		1932.9Krebs, 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 S2P 1 21/n 111.1463; 15.7705; 12.1824
90; 103.886; 90		2078.87Krebs, 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 O2P 1 c 19.5889; 13.2144; 14.4529
90; 103.939; 90		1777.4Mamedov, 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 O7P 1 21/c 17.9722; 21.2705; 13.086
90; 101.805; 90		2172.1Nugraha, 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 O8P 17.2165; 8.8298; 10.1184
92.997; 95.219; 111.557		594.6Nugraha, 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 Sb2P -18.7292; 12.968; 13.8936
66.218; 77.035; 83.321		1401.93Näther, 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 OP -15.3606; 7.7831; 14.415
77.17; 79.421; 89.719		576Pearson, 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 O2P 1 21/c 126.783; 5.2477; 8.1343
90; 97.594; 90		1133.24Pearson, 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 ZnP 1 21/c 114.6212; 14.8002; 20.1288
90; 101.719; 90		4265Johnson, 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 O4P 1 21/c 115.9256; 14.8256; 7.6787
90; 90.566; 90		1812.9El 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 O2P 1 21/n 112.91; 6.32; 21.17
90; 106.48; 90		1656.3Asadov, 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 O3P 1 21/n 13.9608; 24.104; 11.1762
90; 90.189; 90		1067Pintro, 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 O2P 21 21 217.6496; 8.7565; 14.128
90; 90; 90		946.3Pintro, 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 O5P -19.4329; 10.9974; 11.931
115.244; 93.939; 104.18		1064.01Yennawar, 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 O5.5P 1 21/n 16.9688; 25.8066; 22.829
90; 95.418; 90		4087.25Diallo, 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 ZnP -19.4588; 10.8892; 10.8343
100.305; 110.91; 90.955		1021.67Vassilyeva, 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 N4P -19.5172; 10.8293; 10.9697
99.62; 110.413; 90.827		1041.45Vassilyeva, 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 N4P -19.4304; 10.7968; 10.7565
99.209; 110.746; 90.837		1007.97Vassilyeva, 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 OP 21 21 218.2248; 8.7542; 13.0712
90; 90; 90		941.15Naeem, 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 S3P b c a10.0771; 16.0292; 17.8768
90; 90; 90		2887.6Azzam, 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 OP 1 21/n 110.6201; 8.0201; 18.2085
90; 91.262; 90		1550.5Wysocki, 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 O2P 1 21/c 15.7062; 34.009; 8.5042
90; 98.178; 90		1633.6Cheng, 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 S2P 21 21 214.7727; 17.5228; 21.8526
90; 90; 90		1827.56Nisbet, 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 S2P 21 21 214.669; 17.8029; 23.1486
90; 90; 90		1924.15Nisbet, 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 O2P -110.0193; 15.2554; 17.7983
69.918; 74.926; 84.14		2466.9Chaudhri, 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 ZnP 1 21/c 110.1249; 13.54; 27.0447
90; 95.1464; 90		3692.64Chaudhri, 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 SP 1 21/c 15.7667; 28.4129; 15.5339
90; 91.728; 90		2544.05Benarous, 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 O2P b c n14.87; 15.2915; 13.103
90; 90; 90		2979.42Çelikesir, 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 O3P 1 21/c 18.3515; 16.6672; 7.9705
90; 107.191; 90		1059.9Filali 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 SeP -17.776; 9.9573; 11.4124
90.97; 92.771; 94.283		879.95Mirgaux, 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 SP b c a7.5884; 7.106; 43.2464
90; 90; 90		2331.98Mirgaux, 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 OP b c a12.0256; 7.7396; 23.8551
90; 90; 90		2220.3Mirgaux, 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 SP b c a7.3003; 18.9557; 21.9045
90; 90; 90		3031.2Ifeanyieze, 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 SP c a 2111.142; 7.2555; 27.333
90; 90; 90		2209.6Nikitina, 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 SP 1 21/c 114.6666; 13.8922; 6.26063
90; 100.127; 90		1255.74Metwally, 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 O3I 1 2/a 119.6562; 7.5587; 26.4903
90; 109.762; 90		3704Daoui, 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 OP 1 21/n 15.87685; 7.5999; 28.4578
90; 90.604; 90		1270.95Taneda, 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 N3P -17.9106; 10.4468; 15.5735
79.988; 77.717; 77.909		1218.33Kubono, 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 Zn2P 1 21/n 115.5436; 8.6538; 16.7362
90; 108.628; 90		2133.27Ebrahimi, 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 O5P -17.332; 9.886; 13.27
93.359; 102.703; 92.41		935.2Kornilova, 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 SC 1 2/c 121.0939; 9.252; 15.0283
90; 116.211; 90		2631.4Bookwala, 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 Zn3P -18.7856; 13.1738; 14.0096
67.018; 77.677; 84.22		1458.1Näther, 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 N2P 1 21/n 19.6519; 28.312; 11.1909
90; 92.154; 90		3055.9Dunning, 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 SP 1 21/n 17.8601; 9.8884; 18.19
90; 98.677; 90		1397.6Hirotsu, 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 SP -18.725; 10.507; 11.316
98.065; 101.274; 96.15		997.6Hirotsu, 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 O6P -17.738; 9.32; 13.949
94.46; 95.04; 104.71		964Mahesha, 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 O6P -17.7652; 9.2852; 13.93
94.985; 95.331; 104.875		960.09Mahesha, 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 O6P -19.636; 10.301; 10.867
103.9; 108.32; 112.96		857.8Mahesha, 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 O5P -16.1136; 7.6965; 19.708
79.577; 87.162; 86.699		909.79Mahesha, 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 O11P 1 21/c 115.808; 7.5198; 31.02
90; 92.561; 90		3683.8Mahesha, 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 O5P -17.874; 9.263; 27.996
81.03; 85.675; 68.229		1872.8Mahesha, 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 S2P 1 21/c 14.1549; 28.708; 13.2735
90; 95.564; 90		1575.8Chooto, 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 S2P 1 21/c 14.5154; 22.2157; 20.4062
90; 94.818; 90		2039.8Chooto, 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 O3P 1 21/c 113.06508; 5.81242; 41.7384
90; 93.3315; 90		3164.25Khalilov, 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 O2P 1 21/c 116.0658; 7.0329; 12.7934
90; 96.847; 90		1435.21Atioğlu, 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 O7C 1 2/c 126.5184; 7.2632; 15.3622
90; 130.906; 90		2236.3Jittipiboonwat, 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 PP b c a13.229; 10.5551; 17.8346
90; 90; 90		2490.3Naeem, 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 S2P 1 21/c 110.394; 26.2421; 8.986
90; 108.056; 90		2330.32Naghiyev, 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 SP 1 21/c 18.7055; 25.9927; 13.6479
90; 91.864; 90		3086.6Sathya, 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 O6P 1 21/c 15.0307; 20.386; 9.0181
90; 94.233; 90		922.34Sathya, 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 OP 1 21/n 115.835; 7.0408; 37.245
90; 96.464; 90		4126.1Hsiao, 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 Te1.9P 42/n :210.1072; 10.1072; 18.2874
90; 90; 90		1868.16Poddig, 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 O4P 1 21/c 113.9798; 11.8411; 15.7406
90; 91.901; 90		2604.21Naghiyev, 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 O3P 1 21/c 115.5987; 13.0782; 11.0396
90; 109.063; 90		2128.6Assila, 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 O2P 1 2/c 111.4741; 7.677; 17.2226
90; 108.166; 90		1441.5Rivera, 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 SI 1 a 110.7979; 10.2238; 17.7316
90; 100.526; 90		1924.55Khrustalev, 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 OP 1 21 111.2574; 8.8445; 11.9039
90; 110.126; 90		1112.85Janzen, 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 O2.5P 41 21 29.9254; 9.9254; 47.1267
90; 90; 90		4642.62Janzen, 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 SP -19.2135; 9.406; 12.9032
79.866; 70; 67.753		971.17Butcher, 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 O4P 21 21 216.7641; 6.9254; 31.4538
90; 90; 90		1473.42Lu, 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 O2P 1 21/c 14.8487; 18.4455; 9.0782
90; 94.808; 90		809.07Sathya, 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 O3P 1 21/c 14.9225; 22.7572; 7.5601
90; 103.003; 90		825.18Sathya, 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 O2C 1 2/c 125.3144; 9.25765; 15.6778
90; 97.8724; 90		3639.49Hebishy, 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 O3P 1 21/c 112.0085; 12.4719; 15.4909
90; 94.489; 90		2312.94Naghiyev, 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 O14P b c a11.0812; 7.63258; 23.7986
90; 90; 90		2012.84Ruzmetov, 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 O6P 1 21/c 17.865; 9.9173; 12.2291
90; 100.836; 90		936.86Dilshad, 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 SP 1 21/c 16.6235; 25.1848; 9.8283
90; 96.504; 90		1628.92Guseinov, 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 O8C 1 2/c 118.7222; 9.787; 16.9398
90; 113.758; 90		2840.9Magrashi, 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 O2P 1 21/c 110.0939; 9.6423; 10.2799
90; 115.531; 90		902.83Missioui, 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 O2P b c n20.8269; 9.09843; 9.0158
90; 90; 90		1708.42Naghiyev, 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 O2P 1 21/c 121.1019; 9.01359; 10.03985
90; 96.1425; 90		1898.65Khalilov, 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 ZnP 1 21 18.5167; 7.8697; 13.1617
90; 94.89; 90		878.94Padgett, 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 ZnP 1 21/c 116.3922; 7.3527; 15.5809
90; 97.113; 90		1863.5Padgett, 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 ZnP 1 21/c 116.7231; 7.6155; 15.8689
90; 97.192; 90		2005.08Padgett, 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 SiP -18.6752; 8.8765; 20.2299
78.107; 87.922; 89.512		1523.37Friedrich, 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 O5C 1 c 116.4968; 14.8697; 16.1836
90; 114.879; 90		3601.5Li, 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 O5P 1 21/c 18.2862; 23.5895; 8.6219
90; 97.728; 90		1669.99Li, 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 O2P n a 2113.8678; 13.5442; 8.3017
90; 90; 90		1559.29Akkurt, 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 O4P b c a19.998; 9.7472; 23.54
90; 90; 90		4588.5Rivera, 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 S2P b c n17.47811; 8.9357; 17.36177
90; 90; 90		2711.55Ceglarska, 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 S2P b c n17.3733; 8.94119; 17.24862
90; 90; 90		2679.37Ceglarska, 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 W4I 41/a :211.6365; 11.6365; 16.304
90; 90; 90		2207.69Simura, 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 OP 1 21/n 114.416; 5.8569; 25.354
90; 96.116; 90		2128.5Liu, 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 SnP 639.255; 9.255; 11.4441
90; 90; 120		848.92Reuter, 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 CIFC18 H20 N4 O8P -17.3729; 8.4842; 15.5411
88.954; 81.333; 89.352		960.85Subha, 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 O22P -19.2008; 9.3137; 10.647
86.551; 79.378; 72.369		854.61Velazquez-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 O2P c a 217.1426; 17.0566; 11.152
90; 90; 90		1358.63Bernhard, 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 O4P 1 21/n 110.443; 18.4563; 14.2378
90; 107.93; 90		2610.9Sughanya, 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 ZnC 1 2/c 120.4223; 11.326; 7.4019
90; 98.31; 90		1694.11Pirimova, 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 OP 1 21/c 18.9102; 13.5595; 22.052
90; 98.024; 90		2638.2Mahmudov, 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 O2P b c a6.6579; 15.7683; 29.0301
90; 90; 90		3047.69Atioğlu, 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 O5P -16.0768; 7.4427; 18.4737
78.894; 85.87; 83.668		813.77Shankara 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 O9P -17.9599; 8.5391; 14.2227
90.426; 105.273; 98.538		921.15Shankara 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 O3C 1 2/c 127.539; 6.343; 21.354
90; 118.17; 90		3288.3Naghiyev, 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 OP -18.6444; 8.9104; 16.0902
79.196; 86.485; 69.003		1136.52Naghiyev, 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 S2P -19.9635; 14.4905; 20.1131
96.736; 101.49; 95.216		2806.5Petrenko, 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 O4P 1 21/c 114.2508; 15.3046; 15.2593
90; 113.311; 90		3056.43Stapf, 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 SP 1 21/c 114.8117; 10.7086; 15.1887
90; 112.417; 90		2227.1Mohamed, 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 OP 1 21/c 110.8398; 19.0207; 9.3307
90; 112.378; 90		1778.93Missioui, 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 O3P 1 21/c 114.5241; 10.0718; 13.271
90; 97.042; 90		1926.69Mohamed, 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 O4P 1 21/n 111.6407; 7.4412; 42.2828
90; 93.038; 90		3657.42Faraj, 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 SP 1 21/c 114.4316; 10.8518; 15.594
90; 109.941; 90		2295.74Mohamed, 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 OP 1 21/c 17.5654; 11.4972; 12.1025
90; 105.583; 90		1013.99Tojiboev, 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 O7P -18.3023; 10.0792; 10.1052
116.966; 105.481; 92.871		711.77Qiu, 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 O2P c a 2124.367; 4.3979; 10.1424
90; 90; 90		1086.9Plutenko, 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 TiP -113.8643; 14.3017; 20.0502
86.4852; 80.0328; 73.6493		3756.9Fitschen, 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 TiP -112.1151; 13.2796; 21.1662
77.916; 88.8857; 87.9827		3327.5Fitschen, 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 O4P 1 21/c 113.8608; 8.8352; 15.5411
90; 98.468; 90		1882.46Nchioua, 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 O6P 1 21/c 127.091; 6.2408; 18.685
90; 90.975; 90		3158.6Priyanka, 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 OI 1 2/a 118.6588; 5.4739; 35.5689
90; 100.729; 90		3569.37Cheng, 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 N3P 1 21/n 112.253; 22.699; 12.884
90; 104.164; 90		3474.5Muñoz 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 O4P b c a9.388; 12.226; 28.693
90; 90; 90		3293.3Naghiyev, 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 O4P -17.4141; 12.3595; 19.9917
86.695; 83.654; 82.182		1802.1Shankara 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 O6P n a 2117.8424; 8.8124; 34.9337
90; 90; 90		5492.8Shankara 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 O3C 1 2/c 115.3747; 4.6699; 23.0423
90; 103.122; 90		1611.2Irrou, 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 S2P -16.5986; 7.4183; 13.2847
74.1712; 88.6035; 77.92		611.41Bettinger, 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 S2P -16.7774; 6.9866; 13.721
91.107; 90.401; 117.583		575.66Bettinger, 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 Rb6P n n m13.395; 9.251; 12.368
90; 90; 90		1532.6Qiu, 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 SP 1 21/c 113.5689; 9.2906; 13.4358
90; 118.53; 90		1488.1Schinke, 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 O22P a -312.2966; 12.2966; 12.2966
90; 90; 90		1859.32Qiu, 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 O7P -18.0202; 9.8474; 19.4712
95.422; 94.693; 103.857		1477.66Selvanandan, 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 SI 1 a 18.1644; 15.9237; 9.6936
90; 106.661; 90		1207.33Mutalliev, 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 S3P -15.7955; 7.3789; 10.0344
89.459; 89.719; 78.956		421.15Schriver, 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 O3P -16.239; 7.496; 17.817
93.55; 92.94; 94.87		827.3Archana, 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 O3P 1 21/c 16.183; 37.748; 7.506
90; 93.69; 90		1748.2Archana, 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 O2P 1 21/c 110.8507; 23.4045; 13.3019
90; 102.491; 90		3298.13Archana, 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 O4P 1 21/c 113.0683; 15.7868; 7.9255
90; 95.137; 90		1628.52Archana, 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 O7P 1 21/c 17.779; 7.411; 31.357
90; 96.82; 90		1794.9Archana, 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 O6P -15.707; 12.505; 13.116
97.41; 93.28; 102.82		901.5Archana, 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 O7P 1 21/c 18.517; 6.825; 30.265
90; 95.33; 90		1751.7Archana, 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 O3P 1 21/c 16.202; 34.573; 7.596
90; 93.83; 90		1625.1Archana, 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 SP 1 21 18.325; 10.949; 18.418
90; 92.67; 90		1677Archana, 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 O7P 21 21 217.1185; 7.5255; 29.955
90; 90; 90		1604.7Archana, 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 O4P c a 2126.702; 7.9626; 6.7571
90; 90; 90		1436.68Archana, 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 O5P 1 21/c 17.9531; 13.4224; 21.2015
90; 92.484; 90		2261.1Naeem, 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 O5P 1 21/c 18.0087; 13.7968; 21.878
90; 90.749; 90		2417.2Naeem, 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 O3P 1 n 14.5017; 14.047; 10.567
90; 96.3; 90		664.2Vinaya; 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 O3P 1 21/c 127.904; 11.1207; 9.0648
90; 94.485; 90		2804.3Vinaya; 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 O3P n a 2118.7779; 10.0699; 15.7288
90; 90; 90		2974.18Archana, 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 OP 1 21 17.5162; 6.1125; 15.7249
90; 98.625; 90		714.28Archana, 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 SiP 1 21/n 19.732; 19.0598; 10.9186
90; 110.526; 90		1896.7Schwab, 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 SP 21 21 2110.0322; 12.0784; 12.9412
90; 90; 90		1568.1Neils, 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 N3P n a 2113.4639; 7.8555; 20.1288
90; 90; 90		2128.94Collis, 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 O2I 4/m17.305; 17.305; 26.04
90; 90; 90		7798van 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 O3P -14.5931; 8.9134; 15.0764
74.808; 85.309; 77.43		581.18Cattey, 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 O4P -17.2941; 9.6773; 14.4302
82.1992; 88.3216; 75.9397		978.92Steiger, 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 O4P 1 21/n 115.3492; 14.0314; 18.3862
90; 90.0834; 90		3959.8Steiger, 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 O5P 1 21/n 19.2745; 22.1655; 11.3475
90; 108.201; 90		2216.03Steiger, 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 S2C 1 2/c 118.2934; 11.7472; 9.7341
90; 117.043; 90		1863.11Näther, 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 O2A e a 212.6854; 26.315; 10.6511
90; 90; 90		3555.5Znovjyak, 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 O3P 1 21/m 13.8283; 10.972; 6.1096
90; 93.523; 90		256.14Chandrasekaran, 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 S2P c a 2110.7521; 5.5245; 14.48
90; 90; 90		860.1Kellou, 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 O2P 1 21/n 14.9172; 12.7016; 11.8573
90; 96.294; 90		736.1Priyanka, 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 O4P n a 2127.4318; 12.6723; 10.6434
90; 90; 90		3699.9Znovjyak, 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 O2P b c a12.0297; 14.6357; 32.763
90; 90; 90		5768.4Pollock, 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 O12P 1 21/c 15.4741; 22.5679; 7.6478
90; 92.286; 90		944.05Kamolov, 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 O2P n n a10.4669; 26.589; 12.8313
90; 90; 90		3571Znovjyak, 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 O4P -14.6914; 13.0677; 16.9923
68.441; 83.739; 88.032		963.05Banna, 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 SP 21 21 217.9857; 9.0145; 22.1621
90; 90; 90		1595.39Priyanka, 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 SP 21 21 218.0717; 9.1135; 22.506
90; 90; 90		1655.6Priyanka, 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 S2C 1 2/c 118.5763; 11.6179; 15.8998
90; 97.448; 90		3402.51Krebs, 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 S2C 1 2/c 118.799; 11.3033; 15.8639
90; 96.825; 90		3347.04Krebs, 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 S2P 1 21/n 110.2275; 25.0468; 12.718
90; 94.6; 90		3247.4Krebs, 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 O3P 1 21/n 16.0404; 8.6114; 17.611
90; 98.771; 90		905.35El 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 O3P 1 21 116.1906; 7.5752; 17.7591
90; 95.36; 90		2168.6Banna, 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 O2P -17.694; 15.013; 15.281
71.04; 77.874; 87.78		1631.3Richter, 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 O28P 4/n :218.2654; 18.2654; 13.4219
90; 90; 90		4477.9Aziz, 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 SP -18.1589; 12.2053; 12.9129
101.569; 93.086; 92.481		1256Madhan, 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 SP 1 21/n 110.142; 12.097; 16.2218
90; 104.846; 90		1923.8Madhan, 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 Se8P -111.495; 11.665; 22.233
92.885; 92.383; 103.51		2890.7Fuss, 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 O16P 1 21/n 115.542; 14.001; 16.3217
90; 94.791; 90		3539.25Chong, 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 S2P b c a7.84; 16; 18.51
90; 90; 90		2322Brown, 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 Cu18.381P 6310.9995; 10.9995; 12.698
90; 90; 120		1330.5Samuha, 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 CIFCa2.86 H7.67 O10.92 Si2.2P 1200; 3.675; 100
90; 90; 90		73500Mesecke, 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 Pr4C 1 2/c 127.6254; 12.7853; 23.5496
90; 98.4791; 90		8226.8Tsymbarenko, 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 Sc3C 1 2/m 15.53; 11.9606; 5.535
90; 104.508; 90		354.42Fischer, 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 Sc3C 1 2/m 15.5124; 11.9341; 5.5167
90; 104.413; 90		351.5Fischer, 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 CIFH8 Mg6 O18 Si4C 1 c 15.3418; 9.1166; 14.697
90; 93.91; 90		714.06Levin, 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 CIFH8 Mg4 Ni2 O18 Si4C 1 c 15.3444; 9.1074; 14.7086
90; 94.18; 90		714.02Levin, 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 CIFH8 Mg3 Ni3 O18 Si4C 1 c 15.3406; 9.0991; 14.7019
90; 94.44; 90		712.29Levin, 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 CIFH8 Mg2 Ni4 O18 Si4C 1 c 15.3415; 9.1095; 14.6976
90; 94.31; 90		713.14Levin, 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 CIFH8 Ni6 O18 Si4C 1 c 15.3411; 9.0924; 14.6494
90; 94.86; 90		708.87Levin, 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 Si3P 63/m c m6.8534; 6.8534; 4.7556
90; 90; 120		193.441Ait 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 CIFC24 H22 N2 O3R -3 :H49.85; 49.85; 4.9234
90; 90; 120		10596Topkan, 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 CIFC16 H20 O3P c a 2129.189; 5.5877; 8.686
90; 90; 90		1416.7Topkan, 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 O21P 21 21 218.8921; 12.2495; 23.798
90; 90; 90		2592.2Kawasaki, 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 O20P 21 21 218.987; 12.3973; 23.528
90; 90; 90		2621.4Kawasaki, 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 SP 1 21/n 18.6173; 14.6662; 9.4885
90; 108.075; 90		1140.01Kolade, 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 SP 1 21/n 18.6881; 15.0266; 9.8337
90; 106.526; 90		1230.8Kolade, 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 SP 1 21/n 17.4701; 23.6743; 7.8614
90; 94.989; 90		1385.02Kolade, 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 SP 1 21/c 116.399; 7.9485; 18.376
90; 113.907; 90		2189.8Kolade, 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 SP b c a11.1747; 10.485; 20.1368
90; 90; 90		2359.36Kolade, 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 SP 1 21/n 19.799; 10.2612; 13.201
90; 100.682; 90		1304.4Kolade, 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 O8P -110.4795; 11.1326; 12.1768
101.393; 105.793; 115.958		1143.78Bhat, 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 OP 1 21/n 15.687; 6.3969; 8.447
90; 107.08; 90		293.7Yamashita, 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 TeP 1 21/n 118.2538; 7.3008; 20.0497
90; 106.867; 90		2557.02Nag, 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 TeP -16.95; 9.5921; 13.604
102.427; 101.89; 91.876		863.8Nag, 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 Se2P 1 21/c 16.2634; 7.4089; 18.32
90; 96.42; 90		844.8Nag, 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 ZnP 1 21/c 17.5409; 21.4401; 11.7364
90; 91.352; 90		1896.99José 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 CIFB4 Co10.3 Hf1.7 O20P b a m9.42623; 12.3374; 3.09543
90; 90; 90		359.984Mariano, 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 CIFB4 Co10.33 O20 Zr1.67P b a m9.41497; 12.33136; 3.09365
90; 90; 90		359.171Mariano, 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 CIFFe3 O4F d -3 m :28.39912; 8.39912; 8.39912
90; 90; 90		592.518Paul, 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 CIFFe3 O4P b c m2.8202; 9.4378; 9.382
90; 90; 90		249.716Paul, Tanmoy
A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses
Scientific Reports, 2022, 4851
3000344 CIFO2 VP 1 21/c 15.752316; 4.525392; 5.382368
90; 122.611; 90		118.022Wilson, 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 CIFO2 V0.989 W0.011P 1 21/c 15.756886; 4.528684; 5.383653
90; 122.586; 90		118.263Wilson, 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 CIFO2 V0.973 W0.027P 1 21/c 15.765868; 4.531848; 5.384223
90; 122.645; 90		118.465Wilson, 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 CIFO V0.488 W0.012P 42/m n m4.554985; 4.554985; 2.854296
90; 90; 90		59.221Wilson, 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 CIFO2 V0.957 W0.043P 1 21/c 15.740803; 4.593496; 5.356922
90; 122.28; 90		119.431Wilson, 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 CIFO V0.481 W0.019P 42/m n m4.55898; 4.55898; 2.856885
90; 90; 90		59.378Wilson, 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 CIFO V0.468 W0.032P 42/m n m4.56274; 4.56274; 2.863021
90; 90; 90		59.604Wilson, 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 CIFO V0.455 W0.045P 42/m n m4.566021; 4.566021; 2.868822
90; 90; 90		59.811Wilson, 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 CIFO V0.448 W0.052P 42/m n m4.569537; 4.569537; 2.87232
90; 90; 90		59.976Wilson, 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 CIFO V0.425 W0.075P 42/m n m4.572685; 4.572685; 2.878604
90; 90; 90		60.19Wilson, 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 W0.038P 42/m n m4.56124; 4.56124; 2.88795
90; 90; 90		60.0835Wilson, 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 W0.047P 42/m n m4.56631; 4.56631; 2.88937
90; 90; 90		60.247Wilson, 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 W0.067P 42/m n m4.57222; 4.57222; 2.8669
90; 90; 90		59.9331Wilson, 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 CIFO2 V0.992 W0.008P 15.70293; 4.55591; 5.39085
90; 122.337; 90		118.343Wilson, 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 CIFO2 V0.992 W0.008P 14.54028; 4.54028; 2.86067
90; 90; 90		58.97Wilson, 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 CIFO2 V0.975 W0.025P 15.77225; 4.54015; 5.40157
90; 122.914; 90		118.836Wilson, 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 CIFO2 V0.975 W0.025P 14.5539; 4.5539; 2.85868
90; 90; 90		59.283Wilson, 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 CIFO2 V0.964 W0.036P 14.55959; 4.55959; 2.85856
90; 90; 90		59.429Wilson, 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 CIFO2 V0.937 W0.063P 14.56377; 4.56377; 2.86364
90; 90; 90		59.644Wilson, 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 CIFO2 V0.911 W0.089P 14.56774; 4.56774; 2.86988
90; 90; 90		59.878Wilson, 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 CIFO2 V0.896 W0.104P 14.5719; 4.5719; 2.87401
90; 90; 90		60.073Wilson, 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 CIFO2 V0.85 W0.15P 14.57297; 4.57297; 2.87908
90; 90; 90		60.207Wilson, 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 CIFO2 Sc0.005 V0.995P 1 21/c 15.755932; 4.528083; 5.385573
90; 122.606; 90		118.244Wilson, 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 CIFO2 Sc0.007 V0.993P 1 21/c 15.755554; 4.527687; 5.384285
90; 122.593; 90		118.214Wilson, 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 CIFO2 Sc0.003 V0.997P 1 21/c 15.756384; 4.528615; 5.386136
90; 122.617; 90		118.265Wilson, 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 CIFO2 Sc0.018 V0.982P 1 21/c 15.754162; 4.527055; 5.384134
90; 122.603; 90		118.153Wilson, 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 CIFO2 Sc0.021 V0.979P 1 21/c 15.755693; 4.527684; 5.383801
90; 122.585; 90		118.217Wilson, 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 CIFO2 Sc0.015 V0.985P 1 21/c 15.756596; 4.528448; 5.386749
90; 122.613; 90		118.284Wilson, 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 CIFO2 Sc0.047 V0.953P 1 21/c 15.755818; 4.52814; 5.384144
90; 122.582; 90		118.243Wilson, 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 CIFCr0.005 O2 V0.995P 1 21/c 15.753169; 4.526911; 5.381891
90; 122.588; 90		118.1Wilson, 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 CIFCr0.02 O4 V1.98C 1 2/m 19.065126; 5.767309; 4.522985
90; 91.1962; 90		236.416Wilson, 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 CIFCr0.06 O4 V1.94C 1 2/m 19.064784; 5.791293; 4.526692
90; 91.9246; 90		237.503Wilson, 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 Pt2C 1 2/c 119.3247; 8.8795; 12.7062
90; 108.332; 90		2069.65Vinci, Doriana; Chateigner, Daniel
Personal communication to COD, 2022
3000396 CIF
HKL		C5 H15 Cl3 N2 O2 PtP 1 21/c 117.4485; 13.007; 11.9676
90; 108.578; 90		2574.55Vinci, Doriana; Chateigner, Daniel
Personal communication to COD, 2022
3000397 CIF
HKL		C5 H12 Cl3 N2 PtC 1 2/c 137.154; 5.9294; 21.808
90; 105.654; 90		4626.1Vinci, Doriana; Chateigner, Daniel
Personal communication to COD, 2022
3000398 CIF
HKL		C14 H14 Cl2 N2 O2 PtP -14.1881; 9.4591; 10.1852
102.793; 91.304; 100.914		385.478Vinci, Doriana; Chateigner, Daniel
Personal communication to COD, 2022
3000405 CIFGe4 Mn4 Tb2I 4/m m m3.98329; 3.98329; 10.83074
90; 90; 90		171.847Shuai Huang
Personal communication to COD, 2022
3000407 CIFC39 H40 N2 O3 S2P 1 21/c 122.4116; 18.4777; 17.2409
90; 106.899; 90		6831.4Augustina 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 CIFC47 H44 N2 O3 S4P -111.4921; 16.4689; 24.1238
94.468; 93.849; 109.226		4277.1Augustina 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 CIFC55 H48 N2 O3 S6C 1 2/c 116.1211; 24.605; 27.4779
90; 106.823; 90		10432.9Augustina 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 CIFC19 H20 O6P 21 21 216.4; 9.9684; 25.9394
90; 90; 90		1654.88Phansuang Udomputtimekakul
Personal communication to COD, 2022
3000419 CIFAg Cu O2P 63/m m c3.039; 3.039; 12.395
90; 90; 120		99.138Amira. 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 CIFAg Cu O2R -3 m :H3.039101; 3.039101; 18.59
90; 90; 120		148.696Amira. 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 SP 1 21/n 15.7306; 30.3712; 9.9232
90; 95.852; 90		1718.08Thierry Maris
dodecane-1,12-diaminium sulfate monohydrate
Personal communication to COD, 2022
3500121 CIF
HKL		C6 H5 Cl N4P 1 21/c 18.3768; 12.0691; 6.8173
90; 91.318; 90		689.05José Manuel Méndez-Arriaga; Miguel Quirós
Personal communication to COD, 2022
3500122 CIF
HKL		C10 H10 Cd I2 N10P -18.5479; 9.685; 11.565
82.991; 79.282; 74.526		904Noelia Santamaría; Miguel Quirós; Juan M. Salas
Personal communication to COD, 2022
3500123 CIF
HKL		C30 H44 La2 N24 O19P 1 21/n 120.6591; 11.7739; 29.897
90; 107.089; 90		6951Noelia Santamaría; Miguel Quirós; Juan M. Salas
Personal communication to COD, 2022
3500124 CIF
HKL		C6 H16 Cl2 Cu N4 O14P n a 2126.241; 12.644; 10.303
90; 90; 90		3418.4Noelia Santamaría; Miguel Quirós; Juan M. Salas
Personal communication to COD, 2022
3500125 CIF
HKL		C12 H16 Cl2 Cu N8 O12P b c a13.338; 13.199; 23.572
90; 90; 90		4150Noelia Santamaría; Miguel Quirós; Juan M. Salas
Personal communication to COD, 2022
3500126 CIF
HKL		C6 H8 N4 O2P 1 21/c 17.665; 14.324; 6.949
90; 92.975; 90		761.9José Manuel Méndez-Arriaga; Miguel Quirós
5-methyl-7-hydroxy-1,2,4-triazolo-[1,5-a]-pyrimidine mononydrate
Personal communication to COD, 2022
3500127 CIFCo0.8 Fe2 O4 Zn0.2F d -3 m :18.3877; 8.3877; 8.3877
90; 90; 90		590.104Taju 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 O9R -3 :H9.5544; 9.5544; 16.9655
90; 90; 120		1341.23Mohanty, Chetna; Maris, Thierry; Wuest, James D.
Aluminium Formate Trihydrate
Personal communication to COD, 2022
3500129 CIF
HKL		C12 H7 Br4 NP 1 21 19.8662; 3.9711; 17.3372
90; 105.352; 90		655.03Lautmann, Michael; Maris, Thierry; Wuest, James D.
2,2',4,4'-tetrabromodiphenylamine
Personal communication to COD, 2022
3500130 CIF
HKL		C41 H52 O12I 41/a :226.1308; 26.1308; 5.4539
90; 90; 90		3724.02Maris, Thierry; Laliberté, Dominic; Wuest, James D.
tetrakis[(3,5-dimethoxybenzyloxy) methyl]methane
Personal communication to COD, 2022
3500131 CIF
HKL		C12 H8 N2 O4 SC 1 2/c 17.3431; 14.0371; 11.816
90; 103.573; 90		1183.9Maris, Thierry; Laliberté, Dominic; Raymond, Nathalie; Wuest, James D.
Bis(4-nitrophenyl) sulfide
Personal communication to COD, 2022
3500132 CIF
HKL		C17 H22 Cl N OP n a 2110.7451; 14.031; 10.4824
90; 90; 90		1580.37Thierry Maris
Diphenhydramine hydrochloride - Refinement using Spherical Atom-form-factors
Personal communication to COD, 2022
4004059 CIFC40 H64 Cl10 N4 Sb2P 1 n 118.4709; 9.53635; 18.6873
90; 114.223; 90		3001.86Molokeev, 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 CIFC8 H20 Cl5 N2 SbP b c a11.7848; 11.8754; 23.334
90; 90; 90		3265.57Molokeev, 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 CIFC8 H20 I4 N2 O2 PbC 1 2/c 19.392; 8.6729; 23.2152
90; 94.5715; 90		1885Li, 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 CIFC4 H10 I3 N O PbP 21 21 218.1767; 8.7039; 16.5225
90; 90; 90		1175.89Li, 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 CIFC1.14 H1.43 N0.86P b c a10.906; 5.7031; 15.132
90; 90; 90		941.2Zhang, 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 CIFC2 H4 N1.5 O1.5 P0.5P 1 21 14.536; 17.4264; 4.7517
90; 95.35; 90		373.97Zhang, 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 CIFC24 H22 Cd I4 N4 O2C 1 c 120.5433; 9.6018; 15.8277
90; 102.817; 90		3044.27Lv, 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 CIFC12 H11 Br N2 OP 1 21/c 112.4902; 7.3161; 13.3109
90; 106; 90		1169.22Lv, 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 CIFC12 H11 I N2 OP 1 21/c 112.5159; 7.5277; 13.7218
90; 106.358; 90		1240.48Lv, 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 CIFC24 H22 Br4 Cd N4 O2P -19.2789; 9.3226; 16.7163
97.28; 90.319; 94.783		1429.18Lv, 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 CIFC6 H9 Br4 N3 PbC 1 2/c 116.3428; 9.061; 18.5386
90; 101.743; 90		2687.8Ma, 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 CIFC6 H9 Cl4 N3 PbP -18.7977; 8.8461; 9.5142
105.05; 96.33; 115.707		622.8Ma, 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 CIFC6 H9 I4 N3 PbC 1 2/c 117.0883; 9.4534; 19.6226
90; 101.866; 90		3102.1Ma, 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 CIFGa2 Ir3 LaP 6/m m m5.5884; 5.5884; 3.9063
90; 90; 120		105.65Gui, Xin; Cava, Robert J.
LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir
Chemistry of Materials, 2022, 34, 2824-2832
4004073 CIFC19 H29 N5P 1 21/c 116.1515; 6.0242; 20.0589
90; 109.261; 90		1842.48Huang, 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 CIFC32 H48 Ag Cl8 Fe N4C 1 2 138.6306; 7.3226; 7.2843
90; 90.585; 90		2060.45Xue, 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 CIFC36 H56 Ag Cl8 Fe N4P 1 21 17.7313; 35.4619; 7.7347
90; 90.807; 90		2120.39Xue, 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 CIFC32 H48 Cl8 Fe N4 NaP 1 21/c 17.25334; 39.2496; 7.18736
90; 90.6398; 90		2046.05Xue, 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 CIFC8 H28 Ag Cl8 In N4P -17.7161; 7.8117; 9.3428
102.735; 91.155; 90.898		549.06Xue, 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 CIFC8 H28 Ag Cl8 Fe N4P -17.5923; 10.8224; 13.3237
76.162; 89.632; 89.618		1062.96Xue, 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 CIFAl3 K Na2 O12 Si3P -17.94578; 5.1687; 15.1654
89.848; 93.6133; 89.9481		621.593Asselman, 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 CIFAl3 K Na2 O12 Si3P m n 2115.1422; 8.125613; 5.176215
90; 90; 90		636.88Asselman, 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 CIFCs Gd S2R -3 m :H4.11724; 4.11724; 24.0408
90; 90; 120		352.933Delacotte, 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 CIFCs Gd S2P 63/m m c4.11494; 4.11494; 16.0144
90; 90; 120		234.838Delacotte, 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 CIFGd2 O2 SP -3 m 13.8535; 3.8535; 6.6663
90; 90; 120		85.729Delacotte, 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 CIFGd2 O3I a -310.8113; 10.8113; 10.8113
90; 90; 90		1263.67Delacotte, 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 CIFGd2 S3P n m a7.3424; 3.93196; 15.2841
90; 90; 90		441.25Delacotte, 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 CIFGd10 S19P 42/n :28.7147; 8.7147; 15.8569
90; 90; 90		1204.27Delacotte, 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 CIFGd K S2R -3 m :H4.07711; 4.07711; 21.917
90; 90; 120		315.513Delacotte, 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 CIFGd Li S2F m -3 m5.52988; 5.52988; 5.52988
90; 90; 90		169.101Delacotte, 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 CIFGd Na S2R -3 m :H4.01349; 4.01349; 19.9189
90; 90; 120		277.869Delacotte, 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 CIFGd Rb S2R -3 m :H4.09729; 4.09729; 22.874
90; 90; 120		332.557Delacotte, 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 CIFC26 H29 Mo2 O7 P WP 1 21/n 110.4841; 20.5016; 13.3506
90; 105.05; 90		2771.16Alvarez, 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 CIFC25 H31 Fe Mo2 O6 PP 1 21/n 117.3932; 17.6468; 18.7329
90; 113.905; 90		5256.55Alvarez, 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 N8P 1 21/c 116.44; 17.2113; 14.4688
90; 116.005; 90		3679.5Numez 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 N8P 21 21 214.9738; 12.2716; 14.6059
90; 90; 90		891.49Numez 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 N8P -116.4145; 17.1201; 19.7351
76.729; 85.855; 89.965		5383Numez 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 N8P 1 21/c 116.423; 17.1344; 25.7615
90; 97.989; 90		7178.9Numez 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 N8P 1 21 14.9733; 12.1827; 14.5857
90; 92.319; 90		883Numez 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 N8P 1 21/c 18.3082; 13.8805; 8.052
90; 100.967; 90		911.61Numez 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 N8F d d 220.2505; 33.1064; 5.3773
90; 90; 90		3605.1Numez 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 N8P 1 21/c 16.1658; 17.1862; 8.8111
90; 102.164; 90		912.72Numez 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 N8P 1 21 17.4796; 5.1345; 11.9958
90; 104.155; 90		446.699Numez 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 O5.5C 2 2 2118.3893; 18.6897; 12.66
90; 90; 90		4351.12Néron, 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 O4P b c a12.8587; 8.9635; 30.2132
90; 90; 90		3482.34Néron, 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 O4P b c a12.955; 9.0569; 30.47
90; 90; 90		3575.1Néron, 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 O6P 1 21/n 13.8692; 13.0002; 13.4342
90; 92.021; 90		675.32Néron, 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 O2P 1 21/c 13.7666; 11.9321; 9.487
90; 90.18; 90		426.38Néron, 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 O2P n m a9.4974; 20.7529; 4.8353
90; 90; 90		953.03Néron, 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 O2P 1 21/n 14.8559; 10.7212; 12.4441
90; 98.773; 90		640.27Néron, 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 O2P -17.4617; 10.9134; 11.5066
81.561; 74.206; 83.191		888.83Néron, 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 O2P 1 21/c 16.9048; 4.6436; 19.7929
90; 99.258; 90		626.36Néron, 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 O2P 1 21/n 15.1591; 11.0703; 10.7115
90; 95.006; 90		609.43Néron, 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 O2P 1 21/n 15.576; 10.2185; 10.9447
90; 90.06; 90		623.61Néron, 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 O2P b c a9.9404; 12.579; 15.1193
90; 90; 90		1890.52Néron, 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 O2P -13.9361; 8.1328; 10.09
103.215; 98.917; 94.489		308.46Néron, 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 O4P -17.7126; 8.7927; 10.319
97.989; 102.763; 115.573		593.39Néron, 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 O2P -17.8307; 8.1915; 10.2693
75.078; 76.037; 85.769		617.66Néron, 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 O4C 1 2/m 119.7264; 6.2955; 8.8067
90; 110.054; 90		1027.37Néron, 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 O4C 1 2/m 119.8053; 6.3558; 9.0498
90; 109.266; 90		1075.38Néron, 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 CIFC18 H15 Cl2 N3 Pt SP -19.3943; 9.6599; 11.7278
68.234; 76.018; 64.339		886.73Elena 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 CIFC21 H20 Cl2 N4 Pt SP -19.5617; 11.1072; 11.4558
66.525; 77.155; 74.355		1065.48Elena 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 CIFC6 H7 Cl2 N3 Pt SC 1 2/m 116.2764; 6.7492; 8.8152
90; 95.47; 90		963.96Elena 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 CIFC7 H9 Cl2 N3 Pt SP 1 21/n 19.042; 7.4539; 16.156
90; 101.815; 90		1065.8Elena 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 CIFH0.36 Mo O3C m c m3.8854; 14.0556; 3.73791
90; 90; 90		204.13Keilholz, 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 CIFC12 H38 Br12 N4 Pb3P m c 2153.477; 8.4509; 8.4407
90; 90; 90		3814.6Li, 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 CIFC48 H24 Mn2 N4 O11.67 VP 6/m m m32.603; 32.603; 16.679
90; 90; 120		15354Wang, 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 CIFC132 Nd4.17 O36.77 Yb5.9P 3 m 121.8128; 21.8128; 16.9894
90; 90; 120		7000.5Deneff, 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 CIFC132 Eu5.8 Nd3.2 O45.68 Yb0.32P 3 m 122.29; 22.29; 16.495
90; 90; 120		7097.5Deneff, 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 CIFC132 Eu9.09 O44.72P 3 m 122.3548; 22.3548; 16.5163
90; 90; 120		7148Deneff, 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 CIFC132 O45.32 Yb9.76P 3 m 121.7387; 21.7387; 16.9015
90; 90; 120		6917.1Deneff, 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 CIFCd2 Cs2 Ga8 S15I b a 211.8574; 12.9781; 17.527
90; 90; 90		2697.2Yang, 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 CIFCd4 Ga3 Rb S9C 2 2 2118.194; 18.5228; 9.8042
90; 90; 90		3304.1Yang, 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 CIFCd3 Ga5 K S11P n a 2113.0701; 11.6218; 12.2714
90; 90; 90		1864Yang, 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 CIFC64 H64 Cl4 Co4 F4 N8 O8P 1 21/c 110.159; 9.178; 17.895
90; 96.617; 90		1657.4Mills, 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 CIFC78 H130 Cl2 Co2 N8 O8P -19.1336; 12.9774; 18.9147
99.113; 96.967; 107.686		2074.56Mills, 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 CIFC54 H76 Co N2 O2P -114.2566; 14.6272; 15.6252
73.694; 69.455; 86.611		2925.6Mills, 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 CIFC58 H56 Cl8 Co2 N4 O8P 1 21/c 19.9281; 19.0648; 16.0575
90; 103.738; 90		2952.37Mills, 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 CIFC56 H48 Co2 N4 O8P -18.9504; 11.3578; 11.9921
84.297; 87.43; 71.693		1151.53Mills, 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 CIFC20 H21 F2 N O3 SiP 19.1912; 12.9247; 18.6126
97.232; 97.041; 109.612		2033.8Fang, 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 CIFC32 H40 B2 F3 Fe N O6P 21 21 2111.6087; 12.4217; 22.4749
90; 90; 90		3240.88Zou, 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 CIFC22 H24 Cl N O4 SP 1 21 19.8706; 5.4872; 20.3442
90; 95.248; 90		1097.26Liu, 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 CIFC20 H21 N O4 SC 1 2 122.954; 8.0412; 10.4938
90; 94.297; 90		1931.5Liu, 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 CIFC20 H21 N O4 SP 21 21 215.3884; 14.8582; 23.6108
90; 90; 90		1890.33Liu, 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 CIFC12 H18 O3P 21 21 214.6204; 7.0144; 36.1467
90; 90; 90		1171.49Gu, 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 CIFC51 H60 Co N4 O11 S2P 1 21/c 113.1519; 27.2945; 14.7065
90; 97.54; 90		5233.6Zhang, 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 CIFC26 H20 N2 OC 1 2/c 130.4714; 7.81348; 16.8852
90; 96.0459; 90		3997.8Zhang, 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 CIFC42 H42 N2 Ni O5 P2 SP 1 21/n 111.9758; 27.1961; 12.687
90; 107.865; 90		3932.9Simon, 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 CIFC48 H51 N Ni O5 P2 SP -110.7191; 12.009; 18.2064
82.6614; 76.5673; 71.5732		2158.89Simon, 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 CIFC40 H40 B2 Cl3 Cu F8 N4 O2P 21 21 2113.07; 14.339; 21.988
90; 90; 90		4120.8Nishimura, 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 CIFC41 H48 Cu F6 N4 O10 S2P 21 21 2114.6616; 15.7092; 19.6198
90; 90; 90		4518.9Nishimura, 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 CIFC24 H21 NC 1 2/c 124.644; 7.0908; 20.5784
90; 91.432; 90		3594.9Rodriguez, 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 CIFC40 H38 N2 O8 S2P 1 21/c 114.4266; 7.4071; 33.2757
90; 96.682; 90		3531.66He, 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 CIFC28 H37 N O3C 1 2/c 127.2805; 9.5063; 18.9097
90; 92.819; 90		4898.04Su, 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 CIFC25 H36 N O3C 1 2/c 124.2586; 10.3745; 18.8315
90; 93.703; 90		4729.4Su, 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 CIFC16 H15 N OP -14.86815; 8.4796; 15.0305
75.423; 85.496; 84.466		596.74Leclair, 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 CIFC19 H17 N OP b c n26.2423; 15.2953; 7.4169
90; 90; 90		2977.02Zhao, 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 CIFC36 H35 N3 O8P -16.8134; 14.9283; 16.487
87.748; 78.963; 79.267		1617.11Zhao, 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 CIFC23 H25 N5 O4P 21 21 216.36481; 17.9645; 18.8399
90; 90; 90		2154.17Zhao, 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 CIFC68 H42 N6I 1 2/a 116.9883; 11.5454; 25.4733
90; 104.9; 90		4828.3Acharya, 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 CIFC34 H21 N3P 1 21/c 15.4935; 23.625; 18.7705
90; 91.838; 90		2434.9Acharya, 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 CIFC34 H24 N2P c c n22.7897; 11.5629; 18.4891
90; 90; 90		4872.2Acharya, 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 CIFC15 H15 N3 O3 SP -18.6805; 9.276; 10.4682
75.499; 83.008; 67.834		755.39Oh, 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 CIFC13 H11 N3 O SP n a 219.9488; 12.8366; 18.5222
90; 90; 90		2365.4Oh, 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 CIFC62 H44 Cl4 Eu2 N10 O12P 1 21/n 112.1286; 11.7919; 21.603
90; 92.461; 90		3086.8Lu, 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 CIFC62 H44 Cl4 Dy2 N10 O12P 1 21/n 112.0593; 11.7251; 21.6822
90; 92.72; 90		3062.33Lu, 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 CIFC62 H44 Cl4 N10 O12 Tb2P 1 21/n 112.0765; 11.7333; 21.6298
90; 92.55; 90		3061.85Lu, 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 CIFC62 H44 Cl4 Gd2 N10 O12P 1 21/n 112.0936; 11.7499; 21.6432
90; 92.625; 90		3072.24Lu, 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 CIFC66 H137 Br La N11 O16P 1 21/c 129.689; 14.194; 20.253
90; 108.716; 90		8083Zakharova, 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 CIFC44 H92 Br2 N4 OP 1 21 15.8282; 6.931; 56.791
90; 92.934; 90		2291.1Zakharova, 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 CIFC2 Ca O5I -4 2 d6.994; 6.994; 9.897
90; 90; 90		484.1König, 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 CIFC138 Nd6 O64 Yb6P 340.2698; 40.2698; 23.9273
90; 90; 120		33603.4Sava 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 CIFC6 H6 N10 O10P 1 21/c 19.314; 5.943; 13.344
90; 97.847; 90		731.7Zhang, 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 CIFC6 K2 N10 O8P 1 21/c 18.998; 4.7624; 15.5601
90; 99.744; 90		657.16Zhang, 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 CIFC6 H4 N6 O6P b c a8.7185; 10.9411; 18.8132
90; 90; 90		1794.59Zhang, 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 CIFC6 H12 N12 O10P -17.1996; 10.1924; 11.2601
101.457; 92.636; 99.304		796.55Zhang, 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 CIFC28 H23 N3 O9 SrI 41/a :228.5283; 28.5283; 13.6804
90; 90; 90		11134Wang, 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 CIFC49 H34 Ca3 N4 O24P -110.0392; 15.8473; 18.4586
73.212; 86.207; 72.155		2675.43Li, 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 CIFC18 H22 O3P 21 21 218.9764; 10.4533; 16.0723
90; 90; 90		1508.11Peng, 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 CIFC30 H50 N3 O3 Sc Si2P -19.295; 9.951; 18.689
96.21; 96.947; 109.414		1597.9Belli, 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 CIFC22 H19 Fe N O3P 1 21 16.7812; 22.3955; 12.8222
90; 105.197; 90		1879.19Wang, 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 CIFC23 H18 OP -18.8621; 10.1071; 10.9059
93.225; 112.881; 109.629		827.8Abel-Snape, Xavier; Wycich, Gina; Lautens, Mark
Synthesis of Indenes and Benzofulvenes via a Palladium-Catalyzed Three-Component Reaction
ACS Catalysis, 2022, 3291-3301
4519331 CIFC17 H14 O4P 21 21 216.37486; 13.7162; 15.6002
90; 90; 90		1364.06Li, 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 CIFC11 H10 O4P 1 21/c 17.4832; 16.3724; 8.0317
90; 109.335; 90		928.53Li, 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 CIFC7 H10 O4P 1 21/n 16.8234; 9.9156; 10.9182
90; 93.902; 90		737Li, 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 CIFC20 H45 B F4 N2 Ni O P2P -19.7943; 10.8646; 13.9683
100.077; 105.481; 107.418		1313.2Gunasekara, 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 CIFC32 H57.25 B2 F8 N2.5 Ni P2P -112.173; 20.1578; 33.802
106.291; 97.137; 92.346		7874.6Gunasekara, 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 CIFC25 H36 Fe N2 SiC m c e18.7305; 14.4274; 17.8945
90; 90; 90		4835.7Linford-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 CIFC37 H57 B Fe N2P n m a19.2143; 20.1989; 9.3011
90; 90; 90		3609.83Linford-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 CIFC29 H41 B Fe N2C 1 2/c 118.1664; 12.4604; 23.9387
90; 94.823; 90		5399.59Linford-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 CIFC42 H52 Fe2 N4P n m a21.9805; 16.4818; 10.6196
90; 90; 90		3847.25Linford-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 CIFC42 H50 Fe N4P 1 21/n 110.9682; 17.6194; 18.8246
90; 95.32; 90		3622.24Linford-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 CIFC21 H19 Fe N O6P 1 21 17.6105; 8.0429; 15.2788
90; 101.481; 90		916.51Lv, 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 CIFC16 H17 N3 O3P 1 21/n 111.5366; 9.0589; 30.02
90; 98.806; 90		3100.4Wang, 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 CIFC55 H52 Br Co N2 P2P 1 21/c 110.276; 26.264; 17.399
90; 103.191; 90		4571.9Jheng, 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 CIFC13 H16 Cl N O2P 1 21 16.5842; 11.023; 8.603
90; 101.266; 90		612.35Highland, 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 CIFC24.94 H34.88 B3 Cl1.88 N2 O8P 1 21/n 118.071; 7.8493; 21.159
90; 101.232; 90		2943.8Stepanova, 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 CIFC21 H20 O4C 1 2/c 111.62; 10.769; 13.577
90; 98.985; 90		1678.1Stepanova, 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 CIFC24 H24 O4P 1 21/n 110.6564; 7.937; 22.4894
90; 97.249; 90		1886.9Stepanova, 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 CIFC19 H14 Cl2 O2P 21 21 25.08; 27.367; 5.5795
90; 90; 90		775.7Stepanova, 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 CIFAl2 Cl Li O6P -3 1 m5.1098; 5.1098; 7.1704
90; 90; 120		162.137Venkataraman, 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 CIFAl2 Li N O9C 1 2/m 15.0877; 8.814; 9.0504
90; 100.51; 90		399.04Venkataraman, 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 CIFC32 H18 Br4 N4P 1 21/c 112.6185; 12.3442; 17.9746
90; 103.4; 90		2723.6Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G.
Diindolylamine Preparation and Stability Investigations.
ACS omega, 2022, 7, 5197-5205
4519352 CIFC15 H15 N OP c a 2110.631; 13.873; 8.6997
90; 90; 90		1283.1Ashfaq, 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 CIFC15 H23 F N2 O5P 21 21 216.5137; 15.684; 17.611
90; 90; 90		1799.2Pons, 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 CIFC10 H6 N6 O3P -15.6104; 5.738; 17.8464
91.354; 92.008; 92.293		573.53Shafran, 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 CIFC11 H18 N6 O2C 1 2/c 116.633; 6.8163; 25.874
90; 90.625; 90		2933.3Shafran, 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 CIFC26 H21 N O4P 1 21/c 18.7961; 16.2533; 14.8259
90; 93.4435; 90		2115.77Murugan, 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 CIFC29 H19 N OP 1 21/c 110.0432; 9.4172; 22.1188
90; 98.0439; 90		2071.39Murugan, 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 CIFC24 H17 N OP 1 21/n 16.264; 17.8352; 15.8767
90; 97.605; 90		1758.14Murugan, 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 CIFC32.25 H30.5 Cl0.5 N2 O3P b c n14.8518; 15.7023; 25.8545
90; 90; 90		6029.5Murugan, 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 CIFC8 H10 Co N2 O5P 1 21/c 17.1468; 17.7533; 8.5534
90; 103.318; 90		1056.06D'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 CIFC6 H6 Co N2 O4C 1 2/c 112.1608; 7.5544; 8.6393
90; 90.528; 90		793.64D'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 CIFC8 H16 Co N2 O8P n n m10.316; 7.114; 9.458
90; 90; 90		694.1D'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 CIFC4 H12 Co O8P 1 21/c 17.4075; 14.8143; 7.7787
90; 99.741; 90		841.3D'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 CIFC8 H12 Co N2 O6C 1 2/c 112.7414; 6.7729; 13.4227
90; 107.659; 90		1103.75D'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 CIFC12 H16 Co2 N2 O10P -17.7368; 9.0843; 11.321
90.118; 99.312; 97.756		777.78D'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 CIFC12 H9 N OP 1 21/c 19.335; 5.768; 8.261
90; 103.17; 90		433.11Kaltenegger, 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 CIFC48 H40 O8P 1 21/n 111.44; 5.98; 12.43
90; 108.06; 90		808.5Hipwell, 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 CIFC48 H40 O8P 1 21/n 110.83; 5.86; 13.42
90; 108.32; 90		808.5Hipwell, 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 CIFC26 H20 Cu2 F6 N8 O5 ZrC m m m17.105; 28.211; 15.588
90; 90; 90		7522Wang, 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 CIFC26 H19 Cu2 F6 N8 O5 TiC m m m28.1998; 16.7324; 15.648
90; 90; 90		7383.5Wang, 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 CIFC26 H20 Cu2 F6 N8 O5 SiC m m m28.295; 16.336; 15.6802
90; 90; 90		7247.8Wang, 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 CIFC54 H45 N4 O15 P4 UI 41/a :238.087; 38.087; 16.6075
90; 90; 90		24091Zhao, 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 CIFC10 H22 Br2 Cu NP b c a13.832; 12.061; 17.097
90; 90; 90		2852.25Xu, 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 CIFC24 H20 Br2 Cu PP 1 21/c 19.3658; 18.3538; 13.6212
90; 102.217; 90		2288.4Xu, 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 CIFC15 H17 N3 OP -17.688; 9.1076; 10.6827
95.94; 109.12; 110.396		642.108Khake, 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 CIFC32 H36 F6 N3 P Pd SC 1 c 120.3; 10.543; 15.816
90; 109.54; 90		3190Alberoni, 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 CIFC34.5 H41 Cl F6 N3 P Pd SP 1 21/c 112.153; 28.037; 21.613
90; 94.356; 90		7343Alberoni, 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 CIFC19 H21 Bi F3 NP 1 21/c 112.9594; 9.2852; 14.7567
90; 91.483; 90		1775.09Louis-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 CIFC15 H14 Bi F3P b c a17.435; 9.004; 18.23
90; 90; 90		2861.8Louis-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 CIFC16 H14 Bi F3P b c a9.7284; 9.7063; 30.3122
90; 90; 90		2862.3Louis-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 CIFC23 H22 OP 1 21/c 16.1078; 23.368; 12.0794
90; 100.277; 90		1696.4Xue, 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 CIFC20 H26 O2P -110.2627; 13.449; 14.5521
115.316; 101.172; 101.362		1690.21Xue, 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 CIFC33 H50 N3 Ni O5 PP 1 21/c 116.5365; 15.9821; 12.9995
90; 97.271; 90		3408Takahashi, 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 CIFC31 H49 Au F6 P SbP -18.7636; 13.6876; 28.412
86.489; 89.678; 77.831		3325.2Navarro, 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 CIFC63 H81 Au F3 N2 O P Sb0.5P -115.519; 15.638; 17.4595
68.369; 80.53; 65.864		3594Navarro, 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 CIFC46 H67 Au Cl PP 21 21 2112.6694; 18.1472; 18.894
90; 90; 90		4344Navarro, 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 CIFC53 H82 Au Cl4 F6 P SbC 1 2/c 133.253; 13.3849; 26.02
90; 93.079; 90		11564.5Navarro, 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 CIFC126 H159 Au2 F12 P2 Sb2P 1 21/n 113.714; 51.58; 18.755
90; 99.2; 90		13096Navarro, 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 CIFC120 H165 Au3 Cl3 P3C 1 2/c 154.233; 14.371; 32.268
90; 102.216; 90		24580Navarro, 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 CIFC32 H39 Au F6 P SbP 1 21/n 111.3949; 16.7262; 18.567
90; 104.78; 90		3421.7Navarro, 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 CIFC66 H90 Au F6 N P SbP -115.3509; 15.473; 19.0096
95.2651; 103.141; 117.913		3781Navarro, 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 CIFC53 H59 Cl2 Co N4 O2 ZnP -110.7552; 11.5789; 21.0514
103.464; 93.118; 103.01		2468.27de Vries, Folkert; Otten, Edwin
Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand
ACS Catalysis, 2022, 12, 4125-4130
4519393 CIFC59 H52 N8 O2 Zn2P -19.1508; 10.8692; 14.2352
80.73; 73.248; 67.252		1248.34de Vries, Folkert; Otten, Edwin
Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand
ACS Catalysis, 2022, 12, 4125-4130
4519394 CIFC60 H40 B Cl2 F4 NP 1 21/n 18.5453; 22.0815; 24.6638
90; 97.013; 90		4619.1Ulč, 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 CIFC51 H45 N Si2P -111.0371; 13.4132; 15.606
70.893; 73.798; 74.546		2057Ulč, 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 CIFC52 H47 Cl2 N Si2P 1 21/n 18.2706; 34.0842; 15.5666
90; 94.273; 90		4376Ulč, 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 CIFC20 H12 SP 1 21/c 115.5106; 4.9274; 18.1757
90; 99.752; 90		1369.04Gazdag, 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 CIFC27 H20 Co2 N2 O12 SC 1 2/c 144.87; 8.909; 14.807
90; 90.851; 90		5918Rothman, Jeffrey H.
Synthesis of Endocyclic Cycloalkyne Amino Acids.
ACS omega, 2022, 7, 9053-9060
4519399 CIFC52 H42 F4 N4P -19.2143; 12.7406; 12.62
85.167; 73.242; 71.786		1347.51Chou, 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 CIFC23 H39 N O14P 1 21 19.5087; 7.8793; 18.5965
90; 91.407; 90		1392.87Zhang, 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 CIFC25 H43 N O14P 1 21 19.41201; 7.9414; 19.98256
90; 97.5366; 90		1480.68Zhang, 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 CIFC26 H45 N O14P 1 21 19.41164; 7.95651; 20.651
90; 100.299; 90		1521.51Zhang, 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 CIFC49 H36 Au2 P2 S4P 1 n 114.3012; 8.9089; 16.767
90; 96.005; 90		2124.5Abe, 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 CIFC108 H87 Au4 Cl8 P4 S8P -116.0501; 17.0934; 20.701
91.582; 108.552; 96.765		5333.93Abe, 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 CIFC111 H98 Au4 O3 P4 S8P b c n18.48; 16.1182; 33.0678
90; 90; 90		9849.7Abe, 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 CIFC50 H38 Au2 P2 S4P 1 21/n 112.3768; 16.5846; 21.3999
90; 101.368; 90		4306.46Abe, 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 CIFC34 H20 S4P 1 21/n 121.019; 7.8788; 46.469
90; 97.275; 90		7633.5Abe, 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 CIFC24 H48 N6 Si2P 1 21/c 110.2644; 15.054; 10.2555
90; 119.67; 90		1376.9Ryll, 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 CIFC24 H48 N6 Si2P 1 21/n 110.0211; 17.9266; 15.5703
90; 103.901; 90		2715.2Ryll, 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 CIFC22 H46 N4 O9 Si2P -110.2419; 11.9781; 13.8119
72.61; 89.884; 68.752		1496.25Ryll, 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 CIFC14 H28 N2 O4 Si2P 1 21/c 118.6575; 6.3147; 16.0768
90; 96.139; 90		1883.25Ryll, 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 CIFC24 H40 Cl6 N4 O8 Si2P -19.773; 11.6396; 16.0521
86.509; 75.909; 86.201		1765.26Ryll, 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 CIFC16 H32 N2 O4 Si2P -17.6684; 8.5044; 8.923
67.142; 66.196; 88.7		484.36Ryll, 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 CIFC28 H48 Cl6 N4 O8 Si2P 1 21/c 19.3555; 19.1906; 10.8119
90; 91.602; 90		1940.38Ryll, 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 CIFC15 H12 F3 N O2A e a 226.638; 13.754; 7.5085
90; 90; 90		2751Ashfaq, 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 CIFC17 H12 F N OP 1 21 17.1922; 7.5334; 12.289
90; 100.816; 90		654Ashfaq, 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 CIFC15 H15 N OP 21 21 217.6501; 12.0632; 13.6914
90; 90; 90		1263.5Tatlidil, 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 CIFC16 H17 N O2P 21 21 215.731; 12.9388; 18.826
90; 90; 90		1395.99Tatlidil, 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 CIFC24 H26 O5P 1 21/n 18.6522; 32.232; 14.3606
90; 97.169; 90		3973.5Fomina, 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 CIFC22 H22 O3P 1 21/c 18.8899; 9.4022; 20.6943
90; 100.172; 90		1702.54Fomina, 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 CIFC24 H28 N2 OC m c 2121.798; 8.9774; 9.6932
90; 90; 90		1896.9Fomina, 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 CIFC22 H22 O S2P 1 21/n 19.2176; 22.382; 18.333
90; 103.619; 90		3675.9Fomina, 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 CIFC20 H18 OP 1 21/c 19.4669; 18.2488; 9.3371
90; 115.269; 90		1458.72Fomina, 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 CIFNa4 P2 S6I m -3 m8.4851; 8.4851; 8.4851
90; 90; 90		610.9Scholz, 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 CIFC4 H3 Na O5P 1 c 13.6294; 8.1444; 9.4044
90; 97.981; 90		275.29Zhang, 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 CIFC25 H15 N O4P -18.6432; 11.0448; 11.1069
62.407; 72.632; 84.054		896.1Cai, 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 O8.5C 1 2 128.0367; 7.5296; 17.7558
90; 113.99; 90		3424.5Li, 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 O6P 1 21 113.9188; 7.9078; 14.5323
90; 110.581; 90		1497.44Li, 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 O7P 1 21 113.6675; 7.5914; 16.113
90; 97.613; 90		1657.08Li, 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 O4P 1 21 110.2444; 7.6716; 18.0614
90; 90.471; 90		1419.41Li, 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 O4P 1 21 111.8383; 7.727; 17.0565
90; 104.126; 90		1513.06Li, 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 O6P 21 21 217.573; 11.0104; 36.2681
90; 90; 90		3024.1Li, 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 O3P 1 21 112.9687; 6.8993; 14.8695
90; 106.707; 90		1274.3Li, 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 O3P 1 21 19.8247; 7.5533; 17.2646
90; 96.125; 90		1273.87Li, 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 O8P 1 21/c 117.4712; 11.0286; 17.8449
90; 111.32; 90		3203.1Khaoula 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 O8C 1 2/c 118.678; 10.7344; 16.0745
90; 98.829; 90		3184.7Khaoula 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 CIFC2 Mg O6 RaR -3 m :H5.1227; 5.1227; 17.2957
90; 90; 120		393.067Pimentel, 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 CIFC29 H27 N O4P 1 21/n 113.578; 11.198; 15.831
90; 94.443; 90		2399.8Hazarika, 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 CIFC30 H32.5 N4 O5.25P 1 21/c 19.7391; 25.2387; 11.2459
90; 93.42; 90		2759.3Shatokhin, 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 CIFC114 H108 Al Cl4 N64 O53I 1 2/c 128.162; 22.226; 28.39
90; 90.21; 90		17770Luo, 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 CIFC38 H35 O6 SnP -111.815; 11.9686; 12.7177
67.247; 78.484; 85.626		1625.06Kaur, 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 CIFC40 H40 O6 SnP -18.2279; 12.1695; 18.0429
85.696; 89.597; 75.392		1743.16Kaur, 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 CIFC40 H40 O6 SnP -18.2415; 12.1785; 18.0555
85.719; 89.598; 75.364		1748.39Kaur, 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 CIFC34 H28 O6 SnP 1 21/c 111.5018; 14.9532; 17.597
90; 99.344; 90		2986.33Kaur, 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 CIFC34 H32 O8 SnP 1 21/n 19.466; 16.2902; 19.8338
90; 98.453; 90		3025.21Kaur, 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 CIFC24 H27 Br N2 O6P -110.1274; 10.9703; 11.701
105.831; 108.602; 98.017		1148.2Wang, 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 CIFC34 H32 N2 O6P -19.569; 10.7671; 14.771
95.207; 105.767; 94.81		1449.2Wang, 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 CIFC28 H33 N2 O6P -18.1765; 11.7233; 14.474
103.629; 93.336; 100.024		1320.6Wang, 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 CIFC16 H18 O2 P S2 TlP 1 21/c 110.9662; 11.3253; 14.7907
90; 100.286; 90		1807.42Firdoos, 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 CIFC18 H22 O2 P S2 TlP -18.4373; 9.6672; 12.6725
107.092; 95.785; 90.443		982.2Firdoos, 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 CIFC29 H18 Br N3 S2P -19.7483; 11.0899; 13.2845
94.979; 109.185; 114.518		1191.75Chernick, 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 CIFC25 H31 Cl N3 PP 21 21 2110.1489; 12.9048; 19.8932
90; 90; 90		2605.4Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061095 CIFC52 H64 B2 Cl2 F8 N6 P2 PdP 1 21/c 112.9302; 18.6083; 22.9758
90; 92.54; 90		5522.8Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061096 CIFC53 H68 Cl4 N6 O P2 PdP 1 21/c 121.5183; 14.4903; 19.5743
90; 115.795; 90		5495.2Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061097 CIFC28 H36 Cl2 N3 O P PdP 1 21/c 18.573; 32.934; 21.093
90; 96.416; 90		5918.2Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061098 CIFC25 H30 N3 P SeP 1 21/c 114.1735; 9.6026; 17.3982
90; 96.21; 90		2354.04Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061099 CIFC27 H36 Cl2 N3 O P Pt SP 1 21/c 113.5803; 10.3485; 21.273
90; 96.195; 90		2972.16Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061100 CIFC25.4 H30.8 Cl2.8 N3 P PtP 4/n :225.1425; 25.1425; 8.4349
90; 90; 90		5332.1Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061101 CIFC25 H31 Cl N3 P SeP b c a11.1802; 13.5729; 33.3512
90; 90; 90		5060.97Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061102 CIFC27 H34 Cl3 N4 P PdP -19.3439; 10.3772; 16.5278
91.699; 97.475; 110.848		1479.94Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061103 CIFC39 H54 Cl2 N3 O2 P PtP 1 21/n 110.7829; 27.7176; 13.6704
90; 94.11; 90		4075.2Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061104 CIFC28 H35 Cl N3 P PdP 1 21/c 18.6425; 13.5124; 24.174
90; 97.545; 90		2798.6Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Coordination behaviour of a hybrid phosphinoguanidine ligand
New Journal of Chemistry, 2022, 46, 1060-1071
7061105 CIFC40 H48 N2 O2P 1 21/c 136.4315; 7.1569; 6.7041
90; 92.239; 90		1746.67Ramya, 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 CIFC40 H48 N2 O2P -18.3073; 14.2311; 15.9393
65.653; 85.245; 78.854		1684.4Ramya, 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 CIFC40 H48 N2 O2P -16.9341; 6.9886; 18.4291
94.532; 93.486; 103.581		862.48Ramya, 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 CIFC17 H21 N3 O2P 1 21 19.684; 7.971; 10.899
90; 108.39; 90		798.342Todorova, 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 CIFC18 H23 N3 O2P 1 21/c 16.713; 18.2866; 13.4679
90; 92.78; 90		1651.3Todorova, 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 CIFC20 H26 Cs N3 O5P 1 21/n 18.1311; 18.283; 14.9298
90; 101.015; 90		2178.59Todorova, 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 CIFC16 H19 N3 O2P 1 21/n 111.3849; 9.9562; 13.2945
90; 101.34; 90		1477.52Todorova, 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 CIFC22 H32 Cs N3 O7P 1 21/c 111.8674; 12.8807; 16.3307
90; 92.978; 90		2492.9Todorova, 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 CIFC34 H41 N7 O4P -19.9053; 11.6377; 15.0249
86.844; 89.823; 69.381		1618.34Todorova, 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 CIFC13 H10 Cl Cs N2 O5F d d 248.4669; 32.265; 4.4093
90; 90; 90		6895.2Todorova, 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 CIFC22 H24 N4 O2P 1 21/c 113.0544; 13.0083; 11.711
90; 104.353; 90		1926.64Todorova, 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 CIFC19 H25 N3 O2P 1 21/c 16.7988; 18.792; 13.5975
90; 94.066; 90		1732.9Todorova, 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 CIFC17 H26 Cs N3 O8 SP -17.6127; 11.657; 15.4167
101.296; 103.003; 105.412		1236.6Todorova, 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 CIFC16 H19 N3 O3P 1 21/n 19.4773; 7.8846; 20.2726
90; 95.646; 90		1507.52Todorova, 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 CIFC16 H19 N3 O2 SP 1 21 19.6424; 8.0087; 10.9078
90; 109.047; 90		796.22Todorova, 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 CIFC26 H29 Cs N6 O2P -19.5466; 11.0591; 14.5749
72.225; 80.49; 70.549		1378.2Todorova, 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 CIFC20 H29 N3 O6P 1 21/c 112.097; 14.929; 11.827
90; 107.816; 90		2033.5Todorova, 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 CIFC42 H62 B F2 N5 O6P -112.5711; 13.4042; 14.1491
92.556; 105.136; 111.373		2117.2Polishchuk, 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 CIFC78.2 H71.55 Cl5.55 N4.45 O18.45 Zn4P -112.662; 13.459; 24.432
90.626; 96.747; 112.981		3799.3Meng, 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 CIFC20 H20 Cl2 Co N4 O2C 1 2/c 118.645; 13.0336; 11.1471
90; 121.377; 90		2312.7Muley, 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 CIFC26 H22 Cl2 Co N10P n a 2118.2363; 7.2361; 19.5525
90; 90; 90		2580.14Muley, 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 CIFC22 H14 Cl2 In N7P 1 21/n 19.1353; 19.683; 11.535
90; 93.588; 90		2070Han, 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 CIFC14 H30 I2 N2P 1 21/c 16.5208; 14.5116; 10.1283
90; 104.218; 90		929.05Deng, 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 CIFC17 H25 N5 SP -19.7724; 14.4058; 14.7097
60.822; 88.336; 84.707		1800Selivanova, 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 CIFC17 H23 N5 O SP 1 21/c 15.2794; 20.596; 16.72
90; 98.645; 90		1797.4Selivanova, 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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