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
1574285 CIFLa O4 PP 1 21/n 16.784; 8.2599; 5.321
90; 90; 90		298.2Golle-Leidreiter, P.; Durschang, B.; Kolb, U.; Sextl, G.
Crystal structure determination of a new LaPO4 phase in a multicomponent glass ceramic via 3D electron diffraction _publ_section_title_footnote
Ceramics International, 2022, 48, 3790
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

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