Search results

Formula: - C50 H34 N2 -
Comments: Han, Pengbo; Lin, Chengwei; Wang, Kaojin; Qiu, Yanping; Wu, Haozhong; Qin, Anjun; Ma, Dongge; Tang, Ben Zhong Aggregation-induced emission luminogen with excellent triplet-triplet upconversion efficiency for highly efficient non-doped blue organic light-emitting diodes. Materials horizons 9(1) (2022) 376-382
Space group: P 1 21/n 1
Cell volume: 3496
Cell parameters: 19.525; 9.546; 20.594; 90; 114.38; 90;

COD ID: 1564683

Formula: - C21 H18 -
Comments: Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons 9(1) (2022) 368-375
Space group: P -1
Cell volume: 784.1
Cell parameters: 8.321; 9.678; 9.879; 94.541; 96.864; 94.634;

COD ID: 1564684

Formula: - C21 H17 Br -
Comments: Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons 9(1) (2022) 368-375
Space group: P 1 21/c 1
Cell volume: 1654.1
Cell parameters: 8.773; 9.273; 20.333; 90; 90.317; 90;

COD ID: 1564685

Formula: - C21 H15 F3 -
Comments: Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons 9(1) (2022) 368-375
Space group: P c a 21
Cell volume: 1620
Cell parameters: 31.9; 8.761; 5.796; 90; 90; 90;

COD ID: 1564686

Formula: - C21 H14 Br F3 -
Comments: Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons 9(1) (2022) 368-375
Space group: P 1 21/c 1
Cell volume: 1817.1
Cell parameters: 13.672; 7.976; 16.909; 90; 99.786; 90;

COD ID: 1564687

Formula: - C21 H16 Br2 -
Comments: Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons 9(1) (2022) 368-375
Space group: P 1 21/c 1
Cell volume: 1815
Cell parameters: 12.88; 8.745; 18.874; 90; 121.39; 90;

COD ID: 1564688

Formula: - C21 H13 Br2 F3 -
Comments: Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons 9(1) (2022) 368-375
Space group: P 1 21/c 1
Cell volume: 1891.1
Cell parameters: 16.448; 6.0973; 19.528; 90; 105.073; 90;

COD ID: 1564845

Formula: - C90 H102 Cl2 F2 N8 O2 S5 -
Comments: Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency Energy & Environmental Science 15(1) (2022) 320-333
Space group: C 1 2/c 1
Cell volume: 18198.1
Cell parameters: 26.5046; 23.0448; 31.2654; 90; 107.646; 90;

COD ID: 1564846

Formula: - C90 H102 Br2 F2 N8 O2 S5 -
Comments: Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency Energy & Environmental Science 15(1) (2022) 320-333
Space group: C 1 2/c 1
Cell volume: 18355.5
Cell parameters: 26.7059; 23.0515; 31.3331; 90; 107.898; 90;

COD ID: 1564847

Formula: - C90 H102 Br2 Cl2 N8 O2 S5 -
Comments: Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency Energy & Environmental Science 15(1) (2022) 320-333
Space group: P -1
Cell volume: 4392.9
Cell parameters: 16.0896; 17.7032; 17.9514; 107.551; 114.327; 90.288;

COD ID: 1564950
CIF file	Formula: - C11 H20 Cu F3 O3 S5 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P 1 21/n 1 Cell volume: 3548.5 Cell parameters: 19.3571; 9.1791; 20.0178; 90; 93.921; 90;

COD ID: 1564951
CIF file	Formula: - C14 H24 Cl4 Cu F6 O6 S6 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P 1 21/n 1 Cell volume: 1436.4 Cell parameters: 9.4758; 10.1782; 15.084; 90; 99.132; 90;

COD ID: 1564952
CIF file	Formula: - C12 H23 Cl2 Co N S4 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: C 1 2/c 1 Cell volume: 1844.1 Cell parameters: 21.553; 8.7583; 9.884; 90; 98.733; 90;

COD ID: 1564953
CIF file	Formula: - C12 H23 Cu F6 N P S4 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P -1 Cell volume: 996.7 Cell parameters: 8.9013; 10.1583; 12.8933; 71.697; 70.925; 67.975;

COD ID: 1564954
CIF file	Formula: - C16 H26 Co F6 N2 O6 S6 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P 1 21/c 1 Cell volume: 1380.67 Cell parameters: 9.7818; 17.6403; 8.0039; 90; 91.436; 90;

COD ID: 1564955
CIF file	Formula: - C78 H50 B2 F48 Fe N2 S4 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P -1 Cell volume: 2071.09 Cell parameters: 12.2236; 12.9921; 14.746; 74.5207; 87.2647; 66.8668;

COD ID: 1564956
CIF file	Formula: - C11 H22 Cu F3 N2 O3 S3 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P 1 21/n 1 Cell volume: 1748.9 Cell parameters: 8.7939; 14.9481; 13.6317; 90; 102.586; 90;

COD ID: 1564957
CIF file	Formula: - C11 H22 Cl2 Cu F6 P S4 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: C 1 2/c 1 Cell volume: 4015.9 Cell parameters: 24.959; 9.584; 20.849; 90; 126.366; 90;

COD ID: 1564958
CIF file	Formula: - C16 H29 Fe2 I4 N3 S4 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P b c a Cell volume: 5972.1 Cell parameters: 13.5519; 19.3693; 22.7518; 90; 90; 90;

COD ID: 1564959
CIF file	Formula: - C28 H52 Fe3 I6 N4 S8 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P 1 21/c 1 Cell volume: 5083.9 Cell parameters: 17.8349; 19.1835; 15.1569; 90; 101.373; 90;

COD ID: 1564960
CIF file	Formula: - C34 H40 B Cu S4 - Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85 Space group: P 61 Cell volume: 4688.2 Cell parameters: 10.7164; 10.7164; 47.139; 90; 90; 120;

COD ID: 1565020

Formula: - C83 H89 F4 N9 O3 S2 Se2 -
Comments: Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y. Regiospecific N-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. Materials horizons 9(1) (2022) 403-410
Space group: P -1
Cell volume: 3852.2
Cell parameters: 11.7514; 17.3977; 19.925; 102.675; 98.649; 99.031;

COD ID: 1565021

Formula: - C88 H99 F4 N9 O3 S2 Se2 -
Comments: Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y. Regiospecific N-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. Materials horizons 9(1) (2022) 403-410
Space group: C 1 2/c 1
Cell volume: 17261.2
Cell parameters: 18.8244; 29.3244; 31.439; 90; 95.951; 90;

COD ID: 1565022

Formula: - C81 H85 F4 N9 O2 S2 Se2 -
Comments: Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y. Regiospecific N-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. Materials horizons 9(1) (2022) 403-410
Space group: P 1 21/c 1
Cell volume: 22877
Cell parameters: 13.938; 52.166; 31.942; 90; 99.927; 90;

COD ID: 1565122

Formula: - C30 H28 S2 -
Comments: Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties. Materials horizons 9(1) (2022) 444-451
Space group: P 1
Cell volume: 1167.9
Cell parameters: 6.0023; 8.1084; 24.3715; 98.319; 94.455; 92.83;

COD ID: 1565123

Formula: - C30 H28 S2 -
Comments: Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties. Materials horizons 9(1) (2022) 444-451
Space group: P 1
Cell volume: 1167.2
Cell parameters: 6.0173; 8.1041; 24.3262; 98.542; 94.452; 92.932;

COD ID: 1565133
CIF file	Formula: - C88 H76 Cl2 Fe2 N12 O13 - Comments: Amanullah, Sk; Saha, Paramita; Dey, Abhishek O<sub>2</sub> reduction by iron porphyrins with electron withdrawing groups: to scale or not to scale. Faraday discussions 234 (2022) 143-158 Space group: P 1 21/c 1 Cell volume: 7744.6 Cell parameters: 8.0718; 26.641; 36.191; 90; 95.657; 90;

COD ID: 1565172

Formula: - C20 H23 Br N4 O2 Ru -
Comments: Illam, Praseetha Mathoor; Rit, Arnab Electronically tuneable orthometalated RuII–NHC complexes as efficient catalysts for C–C and C–N bond formations via borrowing hydrogen strategy Catalysis Science & Technology 12(1) (2022) 67-74
Space group: P 1 21/n 1
Cell volume: 2065.06
Cell parameters: 7.918; 17.8; 14.7128; 90; 95.2089; 90;

COD ID: 1565173

Formula: - H4 N2 O3 -
Comments: Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S. Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant Catalysis Science & Technology 12(1) (2022) 282-299
Space group: P m m n :2
Cell volume: 154.99
Cell parameters: 5.446; 5.7605; 4.9406; 90; 90; 90;

COD ID: 1565174

Formula: - C19 H25 Co N2 O6 -
Comments: Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S. Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant Catalysis Science & Technology 12(1) (2022) 282-299
Space group: P -3
Cell volume: 2925.1
Cell parameters: 17.5321; 17.5321; 10.9885; 90; 90; 120;

COD ID: 1565226
CIF file	Formula: - C10 H15 N O2 S - Comments: Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia Highest-Tc single-component homochiral organic ferroelectrics Chemical Science 13(3) (2022) 657-664 Space group: P 1 21 1 Cell volume: 540.05 Cell parameters: 7.72; 7.7534; 9.0532; 90; 94.725; 90;

COD ID: 1565227
CIF file	Formula: - C10 H15 N O2 S - Comments: Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia Highest-Tc single-component homochiral organic ferroelectrics Chemical Science 13(3) (2022) 657-664 Space group: P 1 21 1 Cell volume: 540.68 Cell parameters: 7.7253; 7.7557; 9.0549; 90; 94.727; 90;

COD ID: 1565228
CIF file	Formula: - C10 H15 N O2 S - Comments: Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia Highest-Tc single-component homochiral organic ferroelectrics Chemical Science 13(3) (2022) 657-664 Space group: P 1 21 1 Cell volume: 529.941 Cell parameters: 7.748; 7.6312; 8.9986; 90; 95.11; 90;

COD ID: 1565229
CIF file	Formula: - C10 H15 N O2 S - Comments: Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia Highest-Tc single-component homochiral organic ferroelectrics Chemical Science 13(3) (2022) 657-664 Space group: P 1 21/m 1 Cell volume: 523.188 Cell parameters: 7.699; 7.6119; 8.9599; 90; 94.873; 90;

COD ID: 1565230
CIF file	Formula: - C10 H15 N O2 S - Comments: Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia Highest-Tc single-component homochiral organic ferroelectrics Chemical Science 13(3) (2022) 657-664 Space group: P 1 21 1 Cell volume: 530.68 Cell parameters: 7.7527; 7.6368; 8.9989; 90; 95.097; 90;

COD ID: 1565386

Formula: - Al2.69 B50 -
Comments: Zheng, Xu; Yan, Dayu; Yi, Changjiang; Zhu, Jinlong; Zhang, Qinghua; Zhai, Junyi; Ma, Teng; Zhu, Pinwen; Li, Hui; Gu, Lin; Zhao, Yusheng; Yao, Yugui; Shi, Youguo; Yu, Xiaohui; Jin, Changqing The discovery of a superhard P-type transparent semiconductor: Al2.69B50. Materials horizons 9(2) (2022) 748-755
Space group: C m m a
Cell volume: 795.5
Cell parameters: 12.661; 12.337; 5.0928; 90; 90; 90;

COD ID: 1565433

Formula: - C48 H41 Cl9 N6 -
Comments: He, Jian-Li; Tang, Yukun; Zhang, Kai; Zhao, Yue; Lin, Yu-Ching; Hsu, Chih-Kai; Chen, Chia-Hsun; Chiu, Tien-Lung; Lee, Jiun-Haw; Wang, Chuan-Kui; Wu, Chung-Chih; Fan, Jian An extended π-backbone for highly efficient near-infrared thermally activated delayed fluorescence with enhanced horizontal molecular orientation. Materials horizons 9(2) (2022) 772-779
Space group: P -1
Cell volume: 2440.85
Cell parameters: 8.1464; 11.8837; 25.5753; 83.931; 83.143; 86.209;

COD ID: 1565488

Formula: - C43 H44 N2 O P2 -
Comments: Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G. Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis Catalysis Science & Technology 12(5) (2022) 1392-1399
Space group: P 21 21 21
Cell volume: 3623.65
Cell parameters: 10.0784; 11.7543; 30.5885; 90; 90; 90;

COD ID: 1565568
CIF file	Formula: - F4 I3 K3 O12 V2 - Comments: Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations Chemical Science 13(2) (2022) 454-460 Space group: C m c 21 Cell volume: 1493.4 Cell parameters: 11.6074; 8.5215; 15.0981; 90; 90; 90;

COD ID: 1565590

Formula: - C18 H15 Br Cl F2 N O2 -
Comments: Xu, Xiao; Bao, Longzhu; Ran, Lu; Yang, Zhenyan; Yan, Dingce; Wang, Chun-Jiang; Teng, Huailong Synthesis of bioactive fluoropyrrolidines via copper(i)-catalysed asymmetric 1,3-dipolar cycloaddition of azomethine ylides Chemical Science 13(5) (2022) 1398-1407
Space group: P 1 21 1
Cell volume: 857.627
Cell parameters: 11.04668; 5.51936; 14.34857; 90; 101.385; 90;

COD ID: 1565601
CIF file	Formula: - C27 H29 N3 O4 - Comments: Kuhn, Ariel J.; Ehlke, Beatriz; Johnstone, Timothy C.; Oliver, Scott R. J.; Raskatov, Jevgenij A. A crystal-structural study of Pauling–Corey rippled sheets Chemical Science 13(3) (2022) 671-680 Space group: P 1 21/c 1 Cell volume: 2358.54 Cell parameters: 11.3563; 16.7472; 12.6545; 90; 101.483; 90;

COD ID: 1565602

Formula: - C40 H52 O2 S2 Si2 -
Comments: Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems Chemical Science 13(2) (2022) 430-438
Space group: P -1
Cell volume: 3830.5
Cell parameters: 14.2639; 14.5005; 20.4969; 105.307; 109.588; 90.479;

COD ID: 1565603

Formula: - C42 H52 S5 Si2 -
Comments: Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems Chemical Science 13(2) (2022) 430-438
Space group: C 1 2/c 1
Cell volume: 8384.61
Cell parameters: 39.5034; 9.2352; 23.1512; 90; 96.916; 90;

COD ID: 1565604

Formula: - C18 H14 Br N O2 -
Comments: Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes Chemical Science 13(2) (2022) 478-485
Space group: P 1 21/c 1
Cell volume: 1467.9
Cell parameters: 8.8605; 21.1565; 7.8415; 90; 93.025; 90;

COD ID: 1565605

Formula: - C20 H16 Br N O2 -
Comments: Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes Chemical Science 13(2) (2022) 478-485
Space group: P 1 21/c 1
Cell volume: 1671.26
Cell parameters: 7.9559; 6.808; 30.863; 90; 91.251; 90;

COD ID: 1565606

Formula: - C19 H16 F3 N O2 -
Comments: Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes Chemical Science 13(2) (2022) 478-485
Space group: P -1
Cell volume: 1750.05
Cell parameters: 9.4212; 10.7629; 18.7421; 94.939; 96.779; 110.576;

COD ID: 1565640

Formula: - C3 H8 Cl N O4 -
Comments: Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S. Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals. Nanoscale 14(3) (2022) 675-679
Space group: P 1 21/c 1
Cell volume: 660.3
Cell parameters: 8.1; 8.269; 9.997; 90; 99.57; 90;

COD ID: 1565641

Formula: - C3 H8 Cl N O4 -
Comments: Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S. Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals. Nanoscale 14(3) (2022) 675-679
Space group: P 1 21 1
Cell volume: 319.21
Cell parameters: 4.9117; 8.1838; 8.056; 90; 99.683; 90;

COD ID: 1565662

Formula: - C34 H68 B Ce O2 Si2 -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P 1 21/c 1
Cell volume: 3812.7
Cell parameters: 7.4686; 26.405; 19.52; 90; 97.925; 90;

COD ID: 1565663

Formula: - C30 H60 B Er O Si2 -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P n m a
Cell volume: 3363.1
Cell parameters: 15.8956; 24.908; 8.4943; 90; 90; 90;

COD ID: 1565664

Formula: - C34 H68 B O2 Si2 Sm -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P 1 21/c 1
Cell volume: 3804
Cell parameters: 7.5051; 26.3267; 19.4417; 90; 98.004; 90;

COD ID: 1565665

Formula: - C58 H96 Er Li O Pb Si4 -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P 1 21 1
Cell volume: 2951.02
Cell parameters: 13.3164; 13.319; 16.7792; 90; 97.425; 90;

COD ID: 1565666

Formula: - C65 H104 Li O Pb Si4 Sm -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P 1 21/n 1
Cell volume: 6674.9
Cell parameters: 13.5678; 13.7727; 35.796; 90; 93.725; 90;

COD ID: 1565667

Formula: - C70 H126.8 Er Li O4 Pb Si4 -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P 1 21/n 1
Cell volume: 7494.4
Cell parameters: 22.0069; 16.3287; 22.8084; 90; 113.88; 90;

COD ID: 1565668

Formula: - C58 H96 Ce Li O Pb Si4 -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P 1 21 1
Cell volume: 3046.2
Cell parameters: 13.4211; 13.6559; 16.7671; 90; 97.576; 90;

COD ID: 1565669

Formula: - C73.5 H124 Er Li O8 Pb Si4 -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P -1
Cell volume: 3923.4
Cell parameters: 13.1318; 13.3996; 24.0543; 90.114; 99.276; 109.783;

COD ID: 1565670

Formula: - C58 H97 La Li O Pb Si4 -
Comments: Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. Introduction of plumbole to f-element chemistry Chemical Science 13(4) (2022) 945-954
Space group: P 1 21 1
Cell volume: 3061.59
Cell parameters: 13.4752; 13.6204; 16.909; 90; 99.42; 90;

COD ID: 1565671

Formula: - C16 H25 Cl2 Fe N3 O12 -
Comments: Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells Chemical Science 13(3) (2022) 737-747
Space group: P 1 21 1
Cell volume: 2340.7
Cell parameters: 14.194; 10.712; 15.769; 90; 102.51; 90;

COD ID: 1565672

Formula: - C32 H46 Cl4 Fe2 N6 O23 -
Comments: Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells Chemical Science 13(3) (2022) 737-747
Space group: C 1 2/c 1
Cell volume: 4450.5
Cell parameters: 15.9079; 17.3412; 16.1343; 90; 90.724; 90;

COD ID: 1565673

Formula: - C16 H21 Cl2 Mn N3 O2 -
Comments: Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells Chemical Science 13(3) (2022) 737-747
Space group: P n a 21
Cell volume: 3576.8
Cell parameters: 14.289; 8.933; 28.022; 90; 90; 90;

COD ID: 1565716
CIF file	Formula: - C14 H9 N O2 S2 - Comments: Wang, Siqi; Chen, Wanli; Ling, Jun PiPo: random copolymers of C- with N-substituted glycines Polymer Chemistry 13(3) (2022) 383-387 Space group: P 1 21/n 1 Cell volume: 1261.7 Cell parameters: 3.8839; 15.124; 21.523; 90; 93.662; 90;

COD ID: 1565717

Formula: - C36 H30 P2 S2 -
Comments: Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory Journal of Synchrotron Radiation 29(1) (2022) 11-20
Space group: P 1 21/n 1
Cell volume: 3122.6
Cell parameters: 14.5406; 13.2405; 17.1497; 90; 108.962; 90;

COD ID: 1565718

Formula: - C38 H28 F6 P2 S2 -
Comments: Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory Journal of Synchrotron Radiation 29(1) (2022) 11-20
Space group: P -1
Cell volume: 1722.39
Cell parameters: 8.7782; 13.264; 15.3166; 87.778; 88.384; 75.173;

COD ID: 1565719

Formula: - C26 H26 O3 P2 S4 U -
Comments: Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory Journal of Synchrotron Radiation 29(1) (2022) 11-20
Space group: P -1
Cell volume: 1475.39
Cell parameters: 11.5443; 11.6402; 13.0973; 113.227; 110.729; 92.865;

COD ID: 1565720

Formula: - C32 H28 F12 O4 P2 S4 U -
Comments: Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory Journal of Synchrotron Radiation 29(1) (2022) 11-20
Space group: P c a 21
Cell volume: 8038.8
Cell parameters: 16.5607; 8.1303; 59.7044; 90; 90; 90;

COD ID: 1565762

Formula: - C18 H15 Al F28 O3 Si -
Comments: Barthélemy, Antoine; Glootz, Kim; Scherer, Harald; Hanske, Annaleah; Krossing, Ingo Ga±catalyzed hydrosilylation? About the surprising system Ga+/HSiR3/olefin, proof of oxidation with subvalent Ga+ and silylium catalysis with perfluoroalkoxyaluminate anions Chemical Science 13(2) (2022) 439-453
Space group: P 1 21/n 1
Cell volume: 3006
Cell parameters: 9.757; 17.585; 17.518; 90; 90.187; 90;

COD ID: 1565763
CIF file	Formula: - C18 H19 N O S2 - Comments: Krishnamurthy, Suvratha; Yoshida, Yoshiaki; Endo, Takeshi Cationic ring-opening polymerization of a five membered cyclic dithiocarbonate having a tertiary amine moiety Polymer Chemistry 13(2) (2022) 267-274 Space group: P 21 21 21 Cell volume: 1696.08 Cell parameters: 8.4425; 10.2492; 19.6013; 90; 90; 90;

COD ID: 1565790

Formula: - C80 H76 K Nd O6 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/c 1
Cell volume: 9988.95
Cell parameters: 15.07667; 18.20509; 36.5229; 90; 94.8279; 90;

COD ID: 1565791

Formula: - C84 H84 O7 Si4 Tb -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: C 1 2/c 1
Cell volume: 8211.1
Cell parameters: 16.445; 23.0841; 21.7459; 90; 95.923; 90;

COD ID: 1565792

Formula: - C92 H78 N O5 P Pr Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/c 1
Cell volume: 8532.69
Cell parameters: 14.39059; 21.1314; 28.0674; 90; 91.3627; 90;

COD ID: 1565793

Formula: - C84 H84 Ce O7 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: C 1 2/c 1
Cell volume: 8286.5
Cell parameters: 16.5246; 23.1693; 21.7608; 90; 95.951; 90;

COD ID: 1565794

Formula: - C94 H92 Ce K O6 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P b c a
Cell volume: 16192.4
Cell parameters: 15.5527; 26.7995; 38.849; 90; 90; 90;

COD ID: 1565795

Formula: - C84 H84 Gd K O7 Si4 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/n 1
Cell volume: 8451.1
Cell parameters: 13.4724; 28.4527; 22.4563; 90; 100.959; 90;

COD ID: 1565796

Formula: - C111 H99 K2 Nd O5 Si5 -
Comments: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides Chemical Science 13(3) (2022) 681-691
Space group: P 1 21/n 1
Cell volume: 10187.8
Cell parameters: 19.0352; 23.9418; 22.3713; 90; 92.2121; 90;

COD ID: 1565814
CIF file	Formula: - C77 H81.33 Cl4.17 Co2 N8 O1.67 - Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697 Space group: P -3 Cell volume: 13035.1 Cell parameters: 31.1312; 31.1312; 15.5307; 90; 90; 120;

COD ID: 1565815
CIF file	Formula: - C81 H92 Cl8 N8 O3 Zn2 - Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697 Space group: P 1 21/c 1 Cell volume: 8020 Cell parameters: 28.535; 13.861; 20.682; 90; 101.36; 90;

COD ID: 1565816
CIF file	Formula: - C77 H80 Cl4 Co2 N8 - Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697 Space group: P 1 21/c 1 Cell volume: 8234.6 Cell parameters: 28.3373; 14.5574; 20.3283; 90; 100.895; 90;

COD ID: 1565817
CIF file	Formula: - C152 H152 N16 Pd4 - Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697 Space group: P -1 Cell volume: 6199 Cell parameters: 11.694; 20.7153; 27.718; 68.59; 89.019; 82.809;

COD ID: 1565818
CIF file	Formula: - C16 H24 B F4 N - Comments: Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation Chemical Science 13(4) (2022) 1003-1008 Space group: I b a 2 Cell volume: 9823.3 Cell parameters: 26.2135; 48.489; 7.7284; 90; 90; 90;

COD ID: 1565819
CIF file	Formula: - C24 H24 O3 - Comments: Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation Chemical Science 13(4) (2022) 1003-1008 Space group: P 1 21 1 Cell volume: 1917.85 Cell parameters: 6.0869; 17.6346; 17.8806; 90; 92.23; 90;

COD ID: 1565820
CIF file	Formula: - C24 H20 F6 O6 S4 - Comments: Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation Chemical Science 13(4) (2022) 1003-1008 Space group: P 1 21/n 1 Cell volume: 2534.5 Cell parameters: 9.1824; 17.1893; 16.2826; 90; 99.542; 90;

COD ID: 1565821

Formula: - C23 H20 I N O2 -
Comments: Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science 13(4) (2022) 1030-1036
Space group: P b c a
Cell volume: 3839.9
Cell parameters: 14.3788; 7.5241; 35.493; 90; 90; 90;

COD ID: 1565822

Formula: - C23 H20 I N O2 -
Comments: Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science 13(4) (2022) 1030-1036
Space group: P 1
Cell volume: 986.31
Cell parameters: 8.7754; 8.8984; 12.8772; 99.2233; 96.0361; 91.197;

COD ID: 1565823

Formula: - C33 H27 N O3 -
Comments: Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers Chemical Science 13(4) (2022) 1030-1036
Space group: P 1
Cell volume: 1246.24
Cell parameters: 6.3151; 11.198; 17.7567; 85.4422; 85.449; 86.8128;

COD ID: 1565826
CIF file	Formula: - K2 Mg2 O12 S3 - Comments: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ 9(1) (2022) 146-162 Space group: P 21 3 Cell volume: 975.882 Cell parameters: 9.91895; 9.91895; 9.91895; 90; 90; 90;

COD ID: 1565827
CIF file	Formula: - K2 Mg2 O12 S3 - Comments: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ 9(1) (2022) 146-162 Space group: P 21 3 Cell volume: 975.882 Cell parameters: 9.91895; 9.91895; 9.91895; 90; 90; 90;

COD ID: 1565828
CIF file	Formula: - K2 Mg2 O12 S3 - Comments: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ 9(1) (2022) 146-162 Space group: P 21 3 Cell volume: 976.124 Cell parameters: 9.91977; 9.91977; 9.91977; 90; 90; 90;

COD ID: 1565829
CIF file	Formula: - K2 Mg2 O12 S3 - Comments: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ 9(1) (2022) 146-162 Space group: P 21 3 Cell volume: 976.124 Cell parameters: 9.91977; 9.91977; 9.91977; 90; 90; 90;

COD ID: 1565830
CIF file	Formula: - K2 Mg2 O12 S3 - Comments: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ 9(1) (2022) 146-162 Space group: P 21 3 Cell volume: 971.623 Cell parameters: 9.9045; 9.9045; 9.9045; 90; 90; 90;

COD ID: 1565831
CIF file	Formula: - K2 Mg2 O12 S3 - Comments: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ 9(1) (2022) 146-162 Space group: P 21 3 Cell volume: 971.623 Cell parameters: 9.9045; 9.9045; 9.9045; 90; 90; 90;

COD ID: 1565832

Formula: - C30 H14 N4 S2 -
Comments: Jiang, Hui; Ye, Jun; Hu, Peng; Zhu, Shengli; Liang, Yanqin; Cui, Zhenduo; Kloc, Christian; Hu, Wenping Growth direction dependent separate-channel charge transport in the organic weak charge-transfer co-crystal of anthracene-DTTCNQ. Materials horizons 9(3) (2022) 1057-1067
Space group: P -1
Cell volume: 542
Cell parameters: 7.3775; 9.3783; 9.4318; 61.214; 89.717; 73.611;

COD ID: 1565833
CIF file	Formula: - C10 H14 O4 - Comments: Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen An organic plastic ferroelectric with high Curie point Chemical Science 13(3) (2022) 748-753 Space group: P 1 21 1 Cell volume: 491.31 Cell parameters: 6.29835; 10.64131; 7.53892; 90; 103.504; 90;

COD ID: 1565834
CIF file	Formula: - C10 H14 O4 - Comments: Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen An organic plastic ferroelectric with high Curie point Chemical Science 13(3) (2022) 748-753 Space group: P 1 21 1 Cell volume: 513.67 Cell parameters: 6.3879; 10.8484; 7.6137; 90; 103.203; 90;

COD ID: 1565835

Formula: - C10 H11 Fe N4 -
Comments: López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis Chemical Science 13(3) (2022) 842-847
Space group: I -4 3 m
Cell volume: 5064.3
Cell parameters: 17.1728; 17.1728; 17.1728; 90; 90; 90;

COD ID: 1565836

Formula: - C12 H14 Fe N4 -
Comments: López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis Chemical Science 13(3) (2022) 842-847
Space group: I -4 3 m
Cell volume: 5193
Cell parameters: 17.317; 17.317; 17.317; 90; 90; 90;

COD ID: 1565837
CIF file	Formula: - C25 H20 O4 - Comments: Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade Chemical Science 13(4) (2022) 1163-1168 Space group: P 61 Cell volume: 3144.36 Cell parameters: 17.6742; 17.6742; 11.6231; 90; 90; 120;

COD ID: 1565838
CIF file	Formula: - C25 H22 O4 - Comments: Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade Chemical Science 13(4) (2022) 1163-1168 Space group: P 21 21 21 Cell volume: 1957.29 Cell parameters: 6.5263; 13.9032; 21.5712; 90; 90; 90;

COD ID: 1565839
CIF file	Formula: - C23 H21 N O3 - Comments: Nguyen, Nguyen Hoang; Oh, Soo Min; Park, Cheol-Min; Shin, Seunghoon Ortho-Selective C-H Arylation of Phenols with N-Carboxyindoles under Brønsted Acid- or Cu(I)-Catalysis Chemical Science (2022) Space group: P 1 21/n 1 Cell volume: 1889.57 Cell parameters: 10.8503; 8.8759; 19.9348; 90; 100.189; 90;

COD ID: 1565840

Formula: - C22 H19 Cl5 N2 Zn -
Comments: Frye, Connor W.; Egger, Dominic T.; Kounalis, Errikos; Pearce, Adam J.; Cheng, Yukun; Tonks, Ian A. α-Diimine synthesis via titanium-mediated multicomponent diimination of alkynes with C-nitrosos Chemical Science 13(5) (2022) 1469-1477
Space group: P 1 21/c 1
Cell volume: 4818.4
Cell parameters: 23.376; 10.6352; 20.2506; 90; 106.848; 90;

COD ID: 1565841

Formula: - C51 H46 Eu N7 O15 -
Comments: Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties Polymer Chemistry 13(6) (2022) 778-793
Space group: P 1 21/c 1
Cell volume: 5766.9
Cell parameters: 10.2028; 20.5606; 27.5955; 90; 94.989; 90;

COD ID: 1565842

Formula: - C51 H46 Gd N7 O15 -
Comments: Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties Polymer Chemistry 13(6) (2022) 778-793
Space group: P 1 21/c 1
Cell volume: 5598.3
Cell parameters: 10.1478; 20.3871; 27.1677; 90; 95.103; 90;

COD ID: 1565843

Formula: - C51 H46 N7 O15 Tb -
Comments: Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties Polymer Chemistry 13(6) (2022) 778-793
Space group: P 1 21/c 1
Cell volume: 5731.6
Cell parameters: 10.184; 20.5165; 27.539; 90; 95.052; 90;

COD ID: 1565844

Formula: - C28 H34 N4 O8 S2 -
Comments: Mandigma, Mark John; Zurauskas, Jonas; MacGregor, Callum Ian; Edwards, Lee; Shahin, Ahmed; d'Heureuse, Ludwig; Yip, Philip; Birch, David J. S.; Gruber, Thomas; Heilmann, Jorg; John, Matthew P.; Barham, Joshua Philip An Organophotocatalytic Late-stage N-CH3 Oxidation of Trialkylamines to N-formamides with O2 in Continuous Flow Chemical Science (2022)
Space group: C 1 2/c 1
Cell volume: 2984.57
Cell parameters: 26.7306; 5.0492; 24.8887; 90; 117.317; 90;

COD ID: 1565845
CIF file	Formula: - C45 N7 O10 S - Comments: Jeong, Rokam; Eom, Jae-Hoon; Gong, Jintaek; Kang, Minsang; Kim, Jaewook; Lee, Hee-Seung Programmed hierarchical radial association of anisotropic foldamer assemblies. Nanoscale 14(5) (2022) 1700-1705 Space group: P 32 Cell volume: 3809.14 Cell parameters: 14.33767; 14.33767; 21.39635; 90; 90; 120;

COD ID: 1565846
CIF file Original IUCr paper	Formula: - C54 H58 Cl3 O11 Rb - Comments: Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ 9(1) (2022) 43-48 Space group: P -1 Cell volume: 2478.47 Cell parameters: 13.44; 14.3933; 14.8036; 84.073; 76.728; 62.777;

COD ID: 1565847
CIF file	Formula: - C55 H53 Cl9 Cs O10 - Comments: Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ 9(1) (2022) 43-48 Space group: P 1 21/n 1 Cell volume: 5814 Cell parameters: 13.1773; 20.344; 22.581; 90; 106.172; 90;

COD ID: 1565848
CIF file	Formula: - C53 H55 Cl3 Cs2 O11 - Comments: Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ 9(1) (2022) 43-48 Space group: P 1 21/c 1 Cell volume: 5236 Cell parameters: 13.166; 31.338; 14.278; 90; 117.28; 90;

COD ID: 1565849

Formula: - Cu H10 O9 S -
Comments: Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ 9(1) (2022) 73-85
Space group: P -1
Cell volume: 359.02
Cell parameters: 5.9523; 6.1001; 10.647; 77.308; 82.353; 72.64;

COD ID: 1565850

COD ID: 1565851

Formula: - Cu H10 O9 S -
Comments: Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ 9(1) (2022) 73-85
Space group: P -1
Cell volume: 359.016
Cell parameters: 5.9523; 6.1001; 10.647; 77.308; 82.353; 72.64;

COD ID: 1565852

Formula: - Cu H10 O9 S -
Comments: Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ 9(1) (2022) 73-85
Space group: P -1
Cell volume: 359.016
Cell parameters: 5.9523; 6.1001; 10.647; 77.308; 82.353; 72.64;

COD ID: 1565853
CIF file Original IUCr paper	Formula: - C73 H100 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P 1 21/c 1 Cell volume: 6444.9 Cell parameters: 16.252; 23.5373; 17.2102; 90; 101.773; 90;

COD ID: 1565854
CIF file Original IUCr paper	Formula: - C66 H84 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P -1 Cell volume: 2946 Cell parameters: 9.59; 18.199; 18.547; 114.31; 91.36; 91.7;

COD ID: 1565855
CIF file Original IUCr paper	Formula: - C70 H92 Cl8 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P -1 Cell volume: 3474.5 Cell parameters: 13.8727; 16.0717; 17.6177; 77.127; 66.915; 76.404;

COD ID: 1565856
CIF file Original IUCr paper	Formula: - C68 H88 Cl4 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P -1 Cell volume: 3172.8 Cell parameters: 12.261; 17.2425; 17.417; 118.625; 92.647; 98.062;

COD ID: 1565857
CIF file Original IUCr paper	Formula: - C84 H102 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P -1 Cell volume: 3532.8 Cell parameters: 13.5391; 14.7702; 19.045; 80.68; 72.393; 78.191;

COD ID: 1565858
CIF file Original IUCr paper	Formula: - C69 H90 Cl6 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P 1 21/c 1 Cell volume: 6619.6 Cell parameters: 17.8792; 19.6559; 18.9669; 90; 96.732; 90;

COD ID: 1565859
CIF file Original IUCr paper	Formula: - C72 H96 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P 1 21/n 1 Cell volume: 6158.9 Cell parameters: 17.2109; 18.2986; 19.6172; 90; 94.521; 90;

COD ID: 1565860
CIF file Original IUCr paper	Formula: - C73 H92 O6 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P 1 21/n 1 Cell volume: 6218.9 Cell parameters: 17.1817; 18.7393; 19.4157; 90; 95.843; 90;

COD ID: 1565861
CIF file Original IUCr paper	Formula: - C69 H90 O8 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P 1 21/n 1 Cell volume: 6210.96 Cell parameters: 17.0366; 18.4996; 19.762; 90; 94.288; 90;

COD ID: 1565862
CIF file Original IUCr paper	Formula: - C70 H92 O7 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P 1 21/n 1 Cell volume: 6064.9 Cell parameters: 17.1261; 17.8832; 19.8489; 90; 93.914; 90;

COD ID: 1565863
CIF file Original IUCr paper	Formula: - C73 H92 O7 - Comments: Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ 9(1) (2022) 55-64 Space group: P -1 Cell volume: 3555.3 Cell parameters: 14.1349; 16.1763; 17.0355; 83.979; 72.392; 73.292;

COD ID: 1565864
CIF file Original IUCr paper	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 626.36 Cell parameters: 7.0651; 8.7859; 10.0906; 90; 90; 90;

COD ID: 1565865
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 624.32 Cell parameters: 7.0604; 8.78; 10.0712; 90; 90; 90;

COD ID: 1565866
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 622.29 Cell parameters: 7.0533; 8.7742; 10.0552; 90; 90; 90;

COD ID: 1565867
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 620.19 Cell parameters: 7.0476; 8.7682; 10.0363; 90; 90; 90;

COD ID: 1565868
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 617.99 Cell parameters: 7.0422; 8.7617; 10.0158; 90; 90; 90;

COD ID: 1565869
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 619.44 Cell parameters: 7.0473; 8.7636; 10.0299; 90; 90; 90;

COD ID: 1565870
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 616.28 Cell parameters: 7.0342; 8.7569; 10.0049; 90; 90; 90;

COD ID: 1565871
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 616.37 Cell parameters: 7.0336; 8.7575; 10.0065; 90; 90; 90;

COD ID: 1565872
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 614.902 Cell parameters: 7.0291; 8.7539; 9.9932; 90; 90; 90;

COD ID: 1565873
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 613.638 Cell parameters: 7.0245; 8.7517; 9.9817; 90; 90; 90;

COD ID: 1565874
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 627.5 Cell parameters: 7.0753; 8.7825; 10.099; 90; 90; 90;

COD ID: 1565875
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 609 Cell parameters: 6.934; 8.7568; 10.029; 90; 90; 90;

COD ID: 1565876
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P n m a Cell volume: 588.8 Cell parameters: 10.697; 6.2545; 8.8012; 90; 90; 90;

COD ID: 1565877
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P n m a Cell volume: 579.68 Cell parameters: 10.654; 6.1954; 8.7823; 90; 90; 90;

COD ID: 1565878
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 625.62 Cell parameters: 7.0542; 8.7774; 10.1041; 90; 90; 90;

COD ID: 1565879
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 624.8 Cell parameters: 7.0733; 8.7965; 10.042; 90; 90; 90;

COD ID: 1565880
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 619.37 Cell parameters: 6.9987; 8.774; 10.0863; 90; 90; 90;

COD ID: 1565881
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 618.6 Cell parameters: 7.005; 8.7554; 10.086; 90; 90; 90;

COD ID: 1565882
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 617.39 Cell parameters: 7.0156; 8.7539; 10.0529; 90; 90; 90;

COD ID: 1565883
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 21 21 21 Cell volume: 607.95 Cell parameters: 6.9235; 8.7578; 10.0265; 90; 90; 90;

COD ID: 1565884
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P n m a Cell volume: 581.1 Cell parameters: 10.668; 6.2042; 8.78; 90; 90; 90;

COD ID: 1565885
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 584.9 Cell parameters: 7.878; 13.2446; 5.7134; 90; 101.14; 90;

COD ID: 1565886
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 582 Cell parameters: 7.885; 13.2116; 5.6949; 90; 101.2; 90;

COD ID: 1565887
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 577.4 Cell parameters: 7.864; 13.1668; 5.6843; 90; 101.159; 90;

COD ID: 1565888
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 571.5 Cell parameters: 7.824; 13.1476; 5.6603; 90; 101.05; 90;

COD ID: 1565889
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 565.8 Cell parameters: 7.824; 13.0789; 5.629; 90; 100.793; 90;

COD ID: 1565890
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 558.4 Cell parameters: 7.836; 12.9703; 5.5885; 90; 100.542; 90;

COD ID: 1565891
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 554 Cell parameters: 7.808; 12.9522; 5.5722; 90; 100.54; 90;

COD ID: 1565892
CIF file	Formula: - C4 H2 Cl N5 - Comments: Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ 9(1) (2022) 49-54 Space group: P 1 21/c 1 Cell volume: 531.1 Cell parameters: 7.756; 12.7163; 5.468; 90; 100.006; 90;

COD ID: 1565903

Formula: - C48 H26 N5 O2 P -
Comments: Kumar, sharvan; Yoshida, Kohshi; Hattori, Yusuke; Higashino, Tomohiro; Imahori, Hiroshi; Seki, Shu Facile Synthesis of Ambient Stable Pyreno[4,5-b]pyrrole Monoanion and Pyreno[4,5-b:9,10-b’]dipyrrole Dianion: From Serendipity to Design Chemical Science (2022)
Space group: P -1
Cell volume: 1799.6
Cell parameters: 9.287; 14.079; 14.828; 99.42; 100.745; 104.38;

COD ID: 1565904

Formula: - C48 H28 N5 P -
Comments: Kumar, sharvan; Yoshida, Kohshi; Hattori, Yusuke; Higashino, Tomohiro; Imahori, Hiroshi; Seki, Shu Facile Synthesis of Ambient Stable Pyreno[4,5-b]pyrrole Monoanion and Pyreno[4,5-b:9,10-b’]dipyrrole Dianion: From Serendipity to Design Chemical Science (2022)
Space group: P -1
Cell volume: 1799.6
Cell parameters: 11.934; 13.207; 14.026; 117.428; 103.381; 100.452;

COD ID: 1565905

Formula: - C40.5 H24 Cl N5 P -
Comments: Kumar, sharvan; Yoshida, Kohshi; Hattori, Yusuke; Higashino, Tomohiro; Imahori, Hiroshi; Seki, Shu Facile Synthesis of Ambient Stable Pyreno[4,5-b]pyrrole Monoanion and Pyreno[4,5-b:9,10-b’]dipyrrole Dianion: From Serendipity to Design Chemical Science (2022)
Space group: P 1 21/c 1
Cell volume: 3178.4
Cell parameters: 7.529; 30.222; 13.985; 90; 92.77; 90;

COD ID: 1565906

Formula: - C24 H29 N O3 -
Comments: Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines Chemical Science 13(3) (2022) 775-780
Space group: C 1 2/c 1
Cell volume: 4107.88
Cell parameters: 32.9756; 9.2126; 13.7861; 90; 101.232; 90;

COD ID: 1565907

Formula: - C27 H27 N O3 -
Comments: Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines Chemical Science 13(3) (2022) 775-780
Space group: C 1 c 1
Cell volume: 4516.98
Cell parameters: 5.7626; 21.7654; 36.032; 90; 91.845; 90;

COD ID: 1565908

Formula: - C23 H26 N2 O3 -
Comments: Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis Chemical Science 13(4) (2022) 1088-1094
Space group: P 1 21 1
Cell volume: 1035.79
Cell parameters: 9.4239; 10.0699; 11.235; 90; 103.712; 90;

COD ID: 1565909
CIF file	Formula: - C12 H9 Br F N3 O - Comments: Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro Ring-opening fluorination of bicyclic azaarenes Chemical Science 13(3) (2022) 665-670 Space group: P 1 21 1 Cell volume: 610.89 Cell parameters: 8.0916; 6.0738; 12.9097; 90; 105.671; 90;

COD ID: 1565910
CIF file	Formula: - C16 H13 N O3 - Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483 Space group: P 1 21/c 1 Cell volume: 1273.85 Cell parameters: 8.8242; 7.5306; 19.3128; 90; 96.98; 90;

COD ID: 1565911
CIF file	Formula: - C13 H15 N O4 - Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483 Space group: P 1 21/c 1 Cell volume: 1272.96 Cell parameters: 6.8237; 21.9249; 8.5663; 90; 96.654; 90;

COD ID: 1565912
CIF file	Formula: - C22 H23 N O2 - Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483 Space group: P 1 21/c 1 Cell volume: 1755.74 Cell parameters: 11.917; 7.3388; 20.1019; 90; 92.932; 90;

COD ID: 1565913
CIF file	Formula: - C20 H21 N O2 - Comments: Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis Chemical Science 13(5) (2022) 1478-1483 Space group: P -1 Cell volume: 1659.59 Cell parameters: 6.9435; 11.9044; 21.0418; 74.164; 85.968; 83.016;

COD ID: 1565914
CIF file	Formula: - C108 H128 Cl4 N12 O26 - Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803 Space group: P 1 21/c 1 Cell volume: 13256 Cell parameters: 13.6939; 19.0018; 50.945; 90; 90.412; 90;

COD ID: 1565915
CIF file	Formula: - C49 H57 Cl2 N6 O11.5 - Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803 Space group: P -1 Cell volume: 5285.6 Cell parameters: 10.312; 20.687; 26.395; 74.272; 81.268; 78.693;

COD ID: 1565916
CIF file	Formula: - C50 H52 F12 N6 O7 P2 - Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803 Space group: P -1 Cell volume: 3260 Cell parameters: 9.22; 19.51; 20.82; 62.99; 86.96; 78.01;

COD ID: 1565917
CIF file	Formula: - C102 H102 Cl2 N38 O25 - Comments: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao Ultramacrocyclization in water via external templation Chemical Science 13(3) (2022) 798-803 Space group: P -1 Cell volume: 7366.6 Cell parameters: 14.5032; 23.2785; 23.8851; 107.441; 93.266; 104.627;

COD ID: 1565922

Formula: - C49 H37 B Cl2 O2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P 1 21/n 1
Cell volume: 3678.72
Cell parameters: 9.0213; 12.4023; 32.9897; 90; 94.685; 90;

COD ID: 1565923

Formula: - C63 H53 B Cl2 O2 Si2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P -1
Cell volume: 2448.02
Cell parameters: 9.1151; 12.6682; 21.4094; 89.252; 84.01; 84.665;

COD ID: 1565924

Formula: - C54 H37 B O2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P 1 21/c 1
Cell volume: 3751
Cell parameters: 18.5697; 12.0685; 16.8103; 90; 95.339; 90;

COD ID: 1565925

Formula: - C50 H35 B O2 -
Comments: Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media Chemical Science 13(5) (2022) 1484-1491
Space group: P 1 21/c 1
Cell volume: 6808.4
Cell parameters: 12.1456; 15.8222; 35.8589; 90; 98.879; 90;

COD ID: 1565926
CIF file	Formula: - C50 H59 Ni O9 P2 - Comments: Luu, Quang H.; Li, Junqi A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones Chemical Science 13(4) (2022) 1095-1100 Space group: P 1 21/c 1 Cell volume: 4750.6 Cell parameters: 12.239; 20.228; 19.483; 90; 99.971; 90;

COD ID: 1565927
CIF file	Formula: - C45 H64 Ni O P2 - Comments: Luu, Quang H.; Li, Junqi A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones Chemical Science 13(4) (2022) 1095-1100 Space group: P 1 21 1 Cell volume: 2032 Cell parameters: 9.0475; 18.2763; 12.7484; 90; 105.437; 90;

COD ID: 1565928
CIF file	Formula: - Ba5 F O12 V3 - Comments: Oka, K.; Nishiki, W.; Takasu, M.; Noma, N.; Iwasaki, M. Site preference of fluoride anion and potential ionic conductivity in fluorapatites A5(VO4)3F (A = Pb, Sr, and Ba) Journal of the Ceramic Society of Japan 130 (2022) 35-38 Space group: P 63/m Cell volume: 740.61 Cell parameters: 10.4308; 10.4308; 7.86002; 90; 90; 120;

COD ID: 1565929
CIF file	Formula: - F O12 Sr5 V3 - Comments: Oka, K.; Nishiki, W.; Takasu, M.; Noma, N.; Iwasaki, M. Site preference of fluoride anion and potential ionic conductivity in fluorapatites A5(VO4)3F (A = Pb, Sr, and Ba) Journal of the Ceramic Society of Japan 130 (2022) 35-38 Space group: P 63/m Cell volume: 645.235 Cell parameters: 10.01267; 10.01267; 7.43169; 90; 90; 120;

COD ID: 1565930
CIF file	Formula: - F O12 Pb5 V3 - Comments: Oka, K.; Nishiki, W.; Takasu, M.; Noma, N.; Iwasaki, M. Site preference of fluoride anion and potential ionic conductivity in fluorapatites A5(VO4)3F (A = Pb, Sr, and Ba): Pb(VO4)3F Journal of the Ceramic Society of Japan 130 (2022) 35-38 Space group: P 63/m Cell volume: 650.67 Cell parameters: 10.10647; 10.10647; 7.35582; 90; 90; 120;

COD ID: 1565931

Formula: - C78 H94 Cl4 P2 Pt2 S4 -
Comments: Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui Atomically precise structures of Pt2(S-Adam)4(PPh3)2 complexes and catalytic application in propane dehydrogenation. Nanoscale 14(6) (2022) 2482-2489
Space group: P 1 21/n 1
Cell volume: 3606.2
Cell parameters: 11.7531; 23.1655; 13.3165; 90; 95.94; 90;

COD ID: 1565932

Formula: - C76 H90 P2 Pt2 S4 -
Comments: Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui Atomically precise structures of Pt2(S-Adam)4(PPh3)2 complexes and catalytic application in propane dehydrogenation. Nanoscale 14(6) (2022) 2482-2489
Space group: P 1 21/n 1
Cell volume: 3607.2
Cell parameters: 14.31; 17.506; 14.665; 90; 100.92; 90;

COD ID: 1565933

Formula: - C76 H90 P2 Pt2 S4 -
Comments: Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui Atomically precise structures of Pt2(S-Adam)4(PPh3)2 complexes and catalytic application in propane dehydrogenation. Nanoscale 14(6) (2022) 2482-2489
Space group: P -1
Cell volume: 1948.3
Cell parameters: 13.016; 13.366; 14.337; 62.656; 63.186; 69.974;

COD ID: 1565934

Formula: - H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 353.97
Cell parameters: 6.8611; 7.6716; 7.6014; 90; 117.787; 90;

COD ID: 1565935

Formula: - H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 353.38
Cell parameters: 6.856; 7.6675; 7.6008; 90; 117.821; 90;

COD ID: 1565936

Formula: - Fe0 H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 354.18
Cell parameters: 6.8648; 7.6684; 7.6055; 90; 117.792; 90;

COD ID: 1565937

Formula: - Fe0 H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 354.35
Cell parameters: 6.8717; 7.6629; 7.6098; 90; 117.833; 90;

COD ID: 1565938

Formula: - Fe0 H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 354.6
Cell parameters: 6.8815; 7.6534; 7.6172; 90; 117.884; 90;

COD ID: 1565939

Formula: - Fe0 H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 355.2
Cell parameters: 6.8937; 7.6466; 7.6275; 90; 117.943; 90;

COD ID: 1565940

Formula: - Fe0 H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 355.57
Cell parameters: 6.907; 7.6356; 7.6373; 90; 118.021; 90;

COD ID: 1565941

Formula: - Fe0 H2 Mg O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 355.94
Cell parameters: 6.9227; 7.6212; 7.6488; 90; 118.112; 90;

COD ID: 1565942

Formula: - Fe H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 362.95
Cell parameters: 7.0304; 7.5789; 7.7374; 90; 118.314; 90;

COD ID: 1565943

Formula: - Fe H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 363.06
Cell parameters: 7.032; 7.5783; 7.7396; 90; 118.328; 90;

COD ID: 1565944

Formula: - Fe H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 363.23
Cell parameters: 7.0337; 7.5789; 7.7406; 90; 118.325; 90;

COD ID: 1565945

Formula: - Fe H2 Mg0 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 363.48
Cell parameters: 7.0404; 7.5756; 7.745; 90; 118.368; 90;

COD ID: 1565946

Formula: - Fe H2 Mg0 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 363.74
Cell parameters: 7.0482; 7.5706; 7.7498; 90; 118.404; 90;

COD ID: 1565947

Formula: - Fe H2 Mg0 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 364.23
Cell parameters: 7.058; 7.5663; 7.7576; 90; 118.454; 90;

COD ID: 1565948

Formula: - Fe H2 Mg0 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 364.85
Cell parameters: 7.0696; 7.562; 7.7669; 90; 118.515; 90;

COD ID: 1565949

Formula: - Fe H2 Mg0 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 365.31
Cell parameters: 7.0802; 7.5565; 7.7755; 90; 118.579; 90;

COD ID: 1565950

Formula: - Fe H2 Mg0 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 365.93
Cell parameters: 7.0923; 7.5523; 7.7848; 90; 118.648; 90;

COD ID: 1565951

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 352.48
Cell parameters: 6.9143; 7.629; 7.5815; 90; 118.191; 90;

COD ID: 1565952

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 352.38
Cell parameters: 6.9142; 7.6267; 7.581; 90; 118.179; 90;

COD ID: 1565953

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 353.01
Cell parameters: 6.9295; 7.6205; 7.5982; 90; 118.381; 90;

COD ID: 1565954

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 353.42
Cell parameters: 6.9354; 7.6179; 7.6043; 90; 118.397; 90;

COD ID: 1565955

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 353.72
Cell parameters: 6.9432; 7.6126; 7.6107; 90; 118.441; 90;

COD ID: 1565956

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 354.02
Cell parameters: 6.9526; 7.6051; 7.6184; 90; 118.497; 90;

COD ID: 1565957

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 354.56
Cell parameters: 6.9641; 7.599; 7.6275; 90; 118.553; 90;

COD ID: 1565958

Formula: - Co H2 O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 355.03
Cell parameters: 6.9765; 7.5904; 7.6373; 90; 118.616; 90;

COD ID: 1565959

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 343.14
Cell parameters: 6.7979; 7.6403; 7.4489; 90; 117.51; 90;

COD ID: 1565960

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 341.82
Cell parameters: 6.7999; 7.6222; 7.4405; 90; 117.579; 90;

COD ID: 1565961

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 341.93
Cell parameters: 6.8026; 7.6191; 7.445; 90; 117.611; 90;

COD ID: 1565962

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 341.66
Cell parameters: 6.8037; 7.6178; 7.4371; 90; 117.58; 90;

COD ID: 1565963

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 341.77
Cell parameters: 6.8069; 7.6152; 7.4398; 90; 117.597; 90;

COD ID: 1565964

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 341.98
Cell parameters: 6.8115; 7.6122; 7.4444; 90; 117.629; 90;

COD ID: 1565965

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 342.35
Cell parameters: 6.8176; 7.6098; 7.4513; 90; 117.676; 90;

COD ID: 1565966

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 342.79
Cell parameters: 6.8252; 7.607; 7.4587; 90; 117.724; 90;

COD ID: 1565967

Formula: - H2 Ni O5 S -
Comments: Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ 9(2) (2022) 194-203
Space group: C 1 2/c 1
Cell volume: 343.21
Cell parameters: 6.8332; 7.6026; 7.4669; 90; 117.776; 90;

COD ID: 1565968

Formula: - C16 H22 Cl Cr F6 N5 O P -
Comments: Das, Sandip; kulbir, Kulbir; Ray, Soumyadip; Devi, Tarali; Ghosh, Somnath; Harmalkar, Sarvesh S.; Dhuri, Sunder Narayan; Mondal, Padmabati; Kumar, Pankaj Why Intermolecular Nitric Oxide (NO) Transfer? Exploring the Factors and Mechanistic Aspects of NO Transfer Reaction Chemical Science (2022)
Space group: P 1 21/c 1
Cell volume: 2161.97
Cell parameters: 9.2977; 18.09; 12.934; 90; 96.379; 90;

COD ID: 1565969

Formula: - C94 H76 B2 Cu2 F8 N4 P4 -
Comments: Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations Inorganica Chimica Acta 529 (2022) 120639
Space group: P -1
Cell volume: 2305
Cell parameters: 13.074; 14.786; 14.943; 61.869; 70.792; 66.806;

COD ID: 1565970

Formula: - C76 H68 B2 Cu2 F8 N4 P4 -
Comments: Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations Inorganica Chimica Acta 529 (2022) 120639
Space group: P -1
Cell volume: 1830
Cell parameters: 10.047; 13.7944; 14.3988; 92.486; 109.632; 101.325;

COD ID: 1565971

Formula: - C94 H72 B2 Cu2 F8 N4 O2 P4 -
Comments: Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations Inorganica Chimica Acta 529 (2022) 120639
Space group: P -1
Cell volume: 2281.8
Cell parameters: 10.211; 14.868; 16.393; 111.293; 91.589; 98.853;

COD ID: 1565972

Formula: - C20 H13 B Br N -
Comments: Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science 13(4) (2022) 1136-1145
Space group: P c a 21
Cell volume: 1518.15
Cell parameters: 22.958; 9.4271; 7.0146; 90; 90; 90;

COD ID: 1565973

Formula: - C33 H26 B N -
Comments: Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science 13(4) (2022) 1136-1145
Space group: P -1
Cell volume: 1210.42
Cell parameters: 6.6409; 12.0504; 15.9138; 78.061; 78.902; 79.901;

COD ID: 1565974

Formula: - C34 H30 B N -
Comments: Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J. Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties Chemical Science 13(4) (2022) 1136-1145
Space group: P 1 21/c 1
Cell volume: 2553
Cell parameters: 12.0461; 17.1985; 13.07; 90; 109.463; 90;

COD ID: 1565975

Formula: - C113 H252 F4 N6 O71 V24 -
Comments: Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species Catalysis Science & Technology 12(8) (2022) 2438-2445
Space group: P 1 21/n 1
Cell volume: 8632.7
Cell parameters: 15.755; 25.4335; 21.5604; 90; 92.253; 90;

COD ID: 1565976

Formula: - C59 H126 F2 N4 O34 V12 -
Comments: Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species Catalysis Science & Technology 12(8) (2022) 2438-2445
Space group: P 1 21/n 1
Cell volume: 8808.6
Cell parameters: 17.7995; 23.6442; 20.9424; 90; 91.945; 90;

COD ID: 1565977

Formula: - C52 H117 F2 N3 O32 V12 -
Comments: Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species Catalysis Science & Technology 12(8) (2022) 2438-2445
Space group: P c a 21
Cell volume: 20167.8
Cell parameters: 17.199; 21.6914; 54.059; 90; 90; 90;

COD ID: 1565978
CIF file	Formula: - C214 H136 Cl4 O4 - Comments: Chen, Han; Xia, Zeming; Miao, Qian Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox Chemical Science 13(8) (2022) 2280-2285 Space group: P 1 2/c 1 Cell volume: 7713.3 Cell parameters: 16.922; 17.1293; 27.104; 90; 100.952; 90;

COD ID: 1565979
CIF file	Formula: - C148 H128 Cl14 O4 - Comments: Chen, Han; Xia, Zeming; Miao, Qian Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox Chemical Science 13(8) (2022) 2280-2285 Space group: P -1 Cell volume: 3805.1 Cell parameters: 14.1531; 17.009; 17.275; 93.079; 100.115; 110.482;

COD ID: 1565980

Formula: - C108 H62 Ca4 F8 O19 -
Comments: Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation Chemical Science 13(5) (2022) 1375-1381
Space group: P -1
Cell volume: 6602.7
Cell parameters: 10.0419; 15.6393; 42.1081; 92.477; 91.364; 91.427;

COD ID: 1565981

Formula: - C100 H108 F6 N8 O2 S5 -
Comments: Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J. Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells Energy & Environmental Science 15(2) (2022) 645-659
Space group: P -1
Cell volume: 4446.7
Cell parameters: 16.0665; 17.2536; 17.4364; 111.025; 94.188; 96.672;

COD ID: 1565982

Formula: - C98 H102 F6 N8 O2 S5 -
Comments: Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J. Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells Energy & Environmental Science 15(2) (2022) 645-659
Space group: P 1 2/c 1
Cell volume: 26615.8
Cell parameters: 24.0563; 25.5964; 43.2943; 90; 93.25; 90;

COD ID: 1565983

Formula: - Al61.49 Mn11.35 Ni4 -
Comments: Hu, Qifa; Wen, Bin; Fan, Changzeng The Al~61.49~Mn~11.35~Ni~4~ phase in the Al–Mn–Ni system IUCrData 7(1) (2022) x220038
Space group: C m c m
Cell volume: 2276.93
Cell parameters: 7.6135; 23.9582; 12.4828; 90; 90; 90;

COD ID: 1565984

Formula: - C14 H12 Br2 O2 S -
Comments: Corfield, Peter W. R. [Sulfonylbis(bromomethylene)]dibenzene IUCrData 7(1) (2022) x211351
Space group: P b c a
Cell volume: 2850
Cell parameters: 16.53; 12.81; 13.46; 90; 90; 90;

COD ID: 1565985

Formula: - C22 H26 Cu N8 O4 -
Comments: Liu, Lin; Han, Zheng-Bo Bis(dimethylamine-κN)bis[4-(1,2,4-triazol-1-yl)benzoato-κO]copper(II) IUCrData 7(1) (2022) x220046
Space group: P -1
Cell volume: 602.47
Cell parameters: 6.3657; 8.1428; 12.1896; 72.595; 89.376; 87.805;

COD ID: 1565987

Formula: - C26 H32 N4 O8 Zn -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 650
Cell parameters: 8.4854; 8.9023; 10.1517; 68.874; 65.755; 77.396;

COD ID: 1565988

Formula: - C36 H54 N8 Ni2 O8 -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 943.68
Cell parameters: 8.1759; 10.9024; 11.1088; 98.356; 99.482; 100.719;

COD ID: 1565989

Formula: - C32 H36 N4 Ni O8 -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 779.04
Cell parameters: 8.7501; 9.4842; 10.6727; 70.743; 68.904; 80.513;

COD ID: 1565990

Formula: - C37 H49 N6 O9 Zn1.5 -
Comments: Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure 1254 (2022) 132317
Space group: P -1
Cell volume: 1866.23
Cell parameters: 9.8822; 10.8076; 19.0586; 91.26; 99.324; 111.144;

COD ID: 1565992

Formula: - C80 H199 K4 O99.5 P2 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 42 21 2
Cell volume: 13329.4
Cell parameters: 23.4286; 23.4286; 24.2838; 90; 90; 90;

COD ID: 1565993

Formula: - C81 H195 K4 O96.5 P2 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 42 21 2
Cell volume: 13516
Cell parameters: 23.5333; 23.5333; 24.406; 90; 90; 90;

COD ID: 1565994

Formula: - C168 H443 K8 O213.5 P4 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 1 21 1
Cell volume: 14335
Cell parameters: 22.944; 13.9699; 44.772; 90; 92.681; 90;

COD ID: 1565995

Formula: - C82 H201.75 K4 O98.88 P2 -
Comments: Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes Chemical Science 13(8) (2022) 2218-2225
Space group: P 43 21 2
Cell volume: 26540
Cell parameters: 23.3244; 23.3244; 48.784; 90; 90; 90;

COD ID: 1565996
CIF file	Formula: - C17 H26 B F O4 S - Comments: Tao, Xiangzhang; Ni, Shengyang; Kong, Lingyu; Wang, Yi; Pan, Yi Radical Boron Walking of Allylboronic Esters Chemical Science (2022) Space group: P 1 21/n 1 Cell volume: 1783.6 Cell parameters: 11.1868; 10.5562; 15.7691; 90; 106.7; 90;

COD ID: 1565997

Formula: - C13 H29 B2 Nd O2 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 1 21/c 1
Cell volume: 1781.54
Cell parameters: 15.1747; 7.9459; 15.6507; 90; 109.255; 90;

COD ID: 1565998

Formula: - C30 H58 B2 Na Nd O8 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 1 21/c 1
Cell volume: 3581.8
Cell parameters: 9.2168; 21.925; 17.7809; 90; 94.5619; 90;

COD ID: 1565999

Formula: - C14 H22 B Nd O -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 1 21/c 1
Cell volume: 1476.96
Cell parameters: 8.0165; 14.0995; 13.664; 90; 106.997; 90;

COD ID: 1566000

Formula: - C26 H50 B2 Na Nd O7 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P c a 21
Cell volume: 6443
Cell parameters: 24.842; 14.238; 18.216; 90; 90; 90;

COD ID: 1566001

Formula: - C57 H109 B5 Na Nd3 O14 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 1 21/n 1
Cell volume: 6882
Cell parameters: 20.668; 13.072; 25.51; 90; 93.12; 90;

COD ID: 1566002

Formula: - C27 H45.39 B1.6 Cl1.4 O6 Tb2 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 1 21/c 1
Cell volume: 3173.6
Cell parameters: 11.254; 11.7537; 24.0869; 90; 95.079; 90;

COD ID: 1566003

Formula: - C32.5 H58.5 B1.5 Na Nd O8 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 31 2 1
Cell volume: 5706.3
Cell parameters: 13.8957; 13.8957; 34.124; 90; 90; 120;

COD ID: 1566004

Formula: - C32.5 H58.5 B1.5 Na O8 Tb -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 32 2 1
Cell volume: 5568.3
Cell parameters: 13.8128; 13.8128; 33.7; 90; 90; 120;

COD ID: 1566005

Formula: - C58.39 H109.28 B4.72 La3 Na O14 -
Comments: Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M. Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization Inorganica Chimica Acta 529 (2022) 120638
Space group: P 1 21/n 1
Cell volume: 6993
Cell parameters: 20.6479; 13.1522; 25.776; 90; 92.54; 90;

COD ID: 1566006
CIF file	Formula: - C21 H20 N2 O5 - Comments: Yao, Guang-Xu; Zhang, Jin-Qiang; Li, Peng; Liu, Hui; Wang, Li; Sun, Yin-Xia; Dong, Wen-Kui A unitary fluorescence probe to sense Co2+: Validated by theoretical studies and X-ray crystallography Inorganica Chimica Acta 529 (2022) 120642 Space group: C 1 2/c 1 Cell volume: 3660.5 Cell parameters: 28.4132; 4.957; 25.9948; 90; 91.098; 90;

COD ID: 1566007

Formula: - C50 H58 Co3 N4 O18 -
Comments: Yao, Guang-Xu; Zhang, Jin-Qiang; Li, Peng; Liu, Hui; Wang, Li; Sun, Yin-Xia; Dong, Wen-Kui A unitary fluorescence probe to sense Co2+: Validated by theoretical studies and X-ray crystallography Inorganica Chimica Acta 529 (2022) 120642
Space group: P -1
Cell volume: 1290.84
Cell parameters: 10.7978; 11.712; 12.4107; 105.267; 112.786; 103.687;

COD ID: 1566008

Formula: - C16 H17 Cl Cu N4 O6 -
Comments: Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand Inorganica Chimica Acta 529 (2022) 120634
Space group: P -1
Cell volume: 933.52
Cell parameters: 8.8691; 10.1399; 11.7773; 77.18; 77.012; 66.128;

COD ID: 1566009

Formula: - C15 H13 Br Cu N4 O5 -
Comments: Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand Inorganica Chimica Acta 529 (2022) 120634
Space group: P 1 21/n 1
Cell volume: 1657.45
Cell parameters: 10.1814; 11.8905; 13.7196; 90; 93.703; 90;

COD ID: 1566010

Formula: - C15 H13 Cu N5 O8 -
Comments: Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand Inorganica Chimica Acta 529 (2022) 120634
Space group: P 1 21/c 1
Cell volume: 3443.35
Cell parameters: 17.2783; 11.857; 17.5045; 90; 106.222; 90;

COD ID: 1566011

Formula: - C16 H13 Br Cl2 Mo N2 O5 -
Comments: Yang, Shuang; Li, Gong; Yang, Yujie; Zhu, Mengdi; Fu, Yuejiao; Xing, Na; Shi, Lei Styrene selective oxidation to benzaldehyde catalyzed by acylhydrazone Mo complexes: Reaction parameter effects and kinetics Inorganica Chimica Acta 529 (2022) 120643
Space group: P 1 21/c 1
Cell volume: 1961.1
Cell parameters: 13.8585; 8.0415; 17.6091; 90; 92.087; 90;

COD ID: 1566012

Formula: - C17 H16 Cl2 Mo N2 O7 -
Comments: Yang, Shuang; Li, Gong; Yang, Yujie; Zhu, Mengdi; Fu, Yuejiao; Xing, Na; Shi, Lei Styrene selective oxidation to benzaldehyde catalyzed by acylhydrazone Mo complexes: Reaction parameter effects and kinetics Inorganica Chimica Acta 529 (2022) 120643
Space group: P 1 21/n 1
Cell volume: 1998.1
Cell parameters: 7.6789; 16.0866; 16.4934; 90; 101.267; 90;

COD ID: 1566013

Formula: - C17 H13 Cl2 F3 Mo N2 O5 -
Comments: Yang, Shuang; Li, Gong; Yang, Yujie; Zhu, Mengdi; Fu, Yuejiao; Xing, Na; Shi, Lei Styrene selective oxidation to benzaldehyde catalyzed by acylhydrazone Mo complexes: Reaction parameter effects and kinetics Inorganica Chimica Acta 529 (2022) 120643
Space group: P 1 21/c 1
Cell volume: 2001.5
Cell parameters: 13.9165; 8.1234; 17.7116; 90; 91.574; 90;

COD ID: 1566014
CIF file	Formula: - C76 H72 N8 O8 Zn2 - Comments: Niklas, J.E.; Hiti, E.A.; Wilkinson, G.R.; Mayhugh, J.T.; Gorden, J.D.; Gorden, A.E.V. Steric control of mesocate and helicate formation: Bulky pyrrol-2-yl Schiff base complexes of Zn2+ Inorganica Chimica Acta 529 (2022) 120653 Space group: P 1 21/c 1 Cell volume: 6662.4 Cell parameters: 21.6846; 14.7454; 20.9637; 90; 96.318; 90;

COD ID: 1566015
CIF file	Formula: - C152 H136 N16 O16 Zn4 - Comments: Niklas, J.E.; Hiti, E.A.; Wilkinson, G.R.; Mayhugh, J.T.; Gorden, J.D.; Gorden, A.E.V. Steric control of mesocate and helicate formation: Bulky pyrrol-2-yl Schiff base complexes of Zn2+ Inorganica Chimica Acta 529 (2022) 120653 Space group: I 41/a :2 Cell volume: 16243 Cell parameters: 24.2528; 24.2528; 27.6148; 90; 90; 90;

COD ID: 1566016
CIF file	Formula: - C16 H17 Cd N2 O9 - Comments: Yadav, Archana; Somnath,; Ahmad, Musheer; Ahmad Siddiqui, Kafeel Luminescent properties of activated forms of rigid ligand Cd(II)-coordination polymers sustained by hydrogen bond Inorganica Chimica Acta 529 (2022) 120660 Space group: P 1 21/c 1 Cell volume: 1754.7 Cell parameters: 10.1392; 11.9917; 14.7623; 90; 102.151; 90;

COD ID: 1566017
CIF file	Formula: - C28 H30 Cd2 N4 O9 - Comments: Yadav, Archana; Somnath,; Ahmad, Musheer; Ahmad Siddiqui, Kafeel Luminescent properties of activated forms of rigid ligand Cd(II)-coordination polymers sustained by hydrogen bond Inorganica Chimica Acta 529 (2022) 120660 Space group: P 1 21/n 1 Cell volume: 3048.2 Cell parameters: 13.276; 11.7677; 19.5156; 90; 91.2; 90;

COD ID: 1566018
CIF file	Formula: - C30 H26 Mn3 N8 O14 - Comments: Cao, Yexia; Li, Huiqing; Yin, Aiping A two-dimensional manganese coordination polymer: Crystal structure, proton conductivity and catalytic property Inorganica Chimica Acta 529 (2022) 120658 Space group: C 1 2/c 1 Cell volume: 3516.57 Cell parameters: 19.9292; 12.4197; 16.6687; 90; 121.532; 90;

COD ID: 1566019

Formula: - C20 H32 Cl4 Co2 N4 O8 -
Comments: Areas, Esther S.; Junior, Henrique C.S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P. Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics Inorganica Chimica Acta 529 (2022) 120664
Space group: P -1
Cell volume: 701.52
Cell parameters: 7.3616; 9.0186; 11.5236; 73.4; 88.075; 73.363;

COD ID: 1566020

Formula: - C20 H28 Cl4 Cu2 N4 O6 -
Comments: Areas, Esther S.; Junior, Henrique C.S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P. Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics Inorganica Chimica Acta 529 (2022) 120664
Space group: P 1 21/c 1
Cell volume: 1278.6
Cell parameters: 10.0374; 13.0712; 10.6263; 90; 113.494; 90;

COD ID: 1566021

Formula: - C20 H24 Br2 Co N4 O2 -
Comments: Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors Inorganica Chimica Acta 529 (2022) 120667
Space group: C 1 2 1
Cell volume: 1031.3
Cell parameters: 14.659; 9.0379; 8.452; 90; 112.93; 90;

COD ID: 1566022

Formula: - C20 H24 Cl2 Co N4 O2 -
Comments: Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors Inorganica Chimica Acta 529 (2022) 120667
Space group: P 1 21/c 1
Cell volume: 2099.6
Cell parameters: 13.7553; 9.6308; 16.501; 90; 106.159; 90;

COD ID: 1566023

Formula: - C20 H24 Co I2 N4 O2 -
Comments: Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors Inorganica Chimica Acta 529 (2022) 120667
Space group: C 1 2 1
Cell volume: 1085.5
Cell parameters: 14.564; 9.4125; 8.5445; 90; 112.074; 90;

COD ID: 1566024

Formula: - C14 H12 Cl2 N2 O4 Pd Se2 -
Comments: Karmakar, Gourab; Tyagi, Adish; Kedarnath, G.; Naveen Kumar, N.; Phadnis, Prasad P.; Mishra, Ratikanta; Kumar, Mukesh Preparation and characterization of colloidal Pd17Se15 nanoparticles from a novel Pd(II) pyridyl selenoether molecular precursor Inorganica Chimica Acta 529 (2022) 120668
Space group: R -3 c :H
Cell volume: 9709.8
Cell parameters: 25.3661; 25.3661; 17.425; 90; 90; 120;

COD ID: 1566025
CIF file	Formula: - C45 H56 Cl3 Cr N20 O13 - Comments: Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes Inorganica Chimica Acta 529 (2022) 120669 Space group: P 41 21 2 Cell volume: 13566 Cell parameters: 20.623; 20.623; 31.896; 90; 90; 90;

COD ID: 1566026
CIF file	Formula: - C45 H58 Cl8 Co3 N20 O14 - Comments: Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes Inorganica Chimica Acta 529 (2022) 120669 Space group: P n m a Cell volume: 7409.3 Cell parameters: 27.808; 19.906; 13.3851; 90; 90; 90;

COD ID: 1566027
CIF file	Formula: - C45 H64 Cl6 Hg2 N22 O13 - Comments: Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes Inorganica Chimica Acta 529 (2022) 120669 Space group: P 1 21/n 1 Cell volume: 6072.3 Cell parameters: 10.9075; 15.7904; 35.312; 90; 93.228; 90;

COD ID: 1566028
CIF file	Formula: - C90 H112 Cl8 N40 O55 Pb4 - Comments: Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes Inorganica Chimica Acta 529 (2022) 120669 Space group: P 1 21/n 1 Cell volume: 13272 Cell parameters: 27.305; 14.774; 33.7; 90; 102.518; 90;

COD ID: 1566029

Formula: - C29 H36 Fe2 N2 O7 P2 -
Comments: van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J. Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes Chemical Science (2022)
Space group: P -1
Cell volume: 1598.14
Cell parameters: 9.17932; 13.979; 14.4063; 113.213; 106.029; 94.152;

COD ID: 1566030

Formula: - C31 H43 Fe2 K N2 O6 P2 -
Comments: van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J. Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes Chemical Science (2022)
Space group: C 1 2/c 1
Cell volume: 7028.5
Cell parameters: 24.953; 10.2928; 28.5081; 90; 106.275; 90;

COD ID: 1566031

Formula: - C36 H45 Fe2 N2 O5 P2 -
Comments: van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J. Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes Chemical Science (2022)
Space group: P 1 21/c 1
Cell volume: 3603
Cell parameters: 9.2797; 23.4414; 16.6539; 90; 95.972; 90;

COD ID: 1566032

Formula: - C37 H51 Fe2 K N2 O9 P2 -
Comments: van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J. Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes Chemical Science (2022)
Space group: P -1
Cell volume: 2144
Cell parameters: 8.9778; 14.3123; 17.4153; 80.797; 83.74; 76.749;

COD ID: 1566033

Formula: - C25 H28 N O6 S -
Comments: Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea Chemical Science (2022)
Space group: P 1 21 1
Cell volume: 1229.82
Cell parameters: 10.34486; 10.19459; 12.07537; 90; 105.047; 90;

COD ID: 1566034

Formula: - C26 H27 N O5 -
Comments: Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea Chemical Science (2022)
Space group: P 21 21 21
Cell volume: 2437.48
Cell parameters: 8.3138; 11.6736; 25.1152; 90; 90; 90;

COD ID: 1566035

Formula: - C26 H27 N O5 -
Comments: Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea Chemical Science (2022)
Space group: P -1
Cell volume: 1216.15
Cell parameters: 8.76363; 11.32074; 13.30299; 97.5; 93.5092; 110.66;

COD ID: 1566036
CIF file	Formula: - Ca3 Cs2 O16 S4 - Comments: Fang, Penglin; Tang, Wenyue; Shen, Yaoguo; Hong, Jinquan; Li, Yongming; Jia, Junrong Crystal Structure and Theoretical Analysis of Cs2Ca3(SO4)4 Crystals 12(2) (2022) 126 Space group: P 1 21/c 1 Cell volume: 802.04 Cell parameters: 9.9153; 9.376; 9.8044; 90; 118.365; 90;

COD ID: 1566045
CIF file	Formula: - C26 H22 F3 N O2 S - Comments: Volla, Chandra; Singh, Anurag; Shukla, Rahul Kumar Rh(III)-Catalyzed [5+1] Annulation of 2-Alkenylanilides and 2-Alkenylphenols with Allenyl Acetates Chemical Science (2022) Space group: P 21 21 21 Cell volume: 4566.4 Cell parameters: 7.4436; 16.0587; 38.2012; 90; 90; 90;

COD ID: 1566046
CIF file	Formula: - C16 H19 N O3 S - Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511 Space group: P 1 Cell volume: 766.39 Cell parameters: 7.6588; 7.9714; 12.8907; 99.211; 90.731; 99.142;

COD ID: 1566047
CIF file	Formula: - C14 H20 O3 S - Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511 Space group: P 1 21/n 1 Cell volume: 1402.54 Cell parameters: 12.2921; 7.393; 15.8524; 90; 103.199; 90;

COD ID: 1566048
CIF file	Formula: - C19 H20 O3 S - Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511 Space group: P 1 21/n 1 Cell volume: 3318.3 Cell parameters: 23.8127; 5.6108; 24.8367; 90; 90.39; 90;

COD ID: 1566049
CIF file	Formula: - C20 H27 N O5 - Comments: Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C. Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade Chemical Science 13(5) (2022) 1504-1511 Space group: P 1 21/c 1 Cell volume: 3797.8 Cell parameters: 11.6377; 19.035; 18.0198; 90; 107.936; 90;

COD ID: 1566050

Formula: - C36 H22 Cl3 Er F3 N3 O7 -
Comments: Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine Journal of Solid State Chemistry 305 (2022) 122633
Space group: P 1 21/c 1
Cell volume: 3363.5
Cell parameters: 15.3166; 21.618; 10.8184; 90; 110.121; 90;

COD ID: 1566051

Formula: - C36 H22 Cl3 F3 N3 O7 Tb -
Comments: Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine Journal of Solid State Chemistry 305 (2022) 122633
Space group: P -1
Cell volume: 1972.2
Cell parameters: 11.08; 13.9401; 14.1602; 76.98; 89.35; 68.201;

COD ID: 1566052

Formula: - C36 H22 Cl3 Eu F3 N3 O7 -
Comments: Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine Journal of Solid State Chemistry 305 (2022) 122633
Space group: P -1
Cell volume: 1939.6
Cell parameters: 11.0096; 13.9555; 14.0144; 76.979; 89.351; 68.06;

COD ID: 1566053

Formula: - C36 H22 Cl3 F3 Ho N3 O7 -
Comments: Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine Journal of Solid State Chemistry 305 (2022) 122633
Space group: P 1 21/c 1
Cell volume: 3374.9
Cell parameters: 15.3568; 21.6318; 10.8179; 90; 110.096; 90;

COD ID: 1566054

Formula: - C45 H35 Co4 N3 O24 -
Comments: Ding, Tao; Chen, Jing-Ru; Chen, Jing-Jing; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Gao, Zi-Wei Construction of two new Co(II)-organic frameworks based on diverse metal clusters: Highly selective C2H2 and CO2 capture and magnetic properties Journal of Solid State Chemistry 305 (2022) 122629
Space group: P 1 21/c 1
Cell volume: 7644
Cell parameters: 28.03; 16.636; 17.048; 90; 105.95; 90;

COD ID: 1566055

Formula: - C127 H63.95 Co12 N6 O60 -
Comments: Ding, Tao; Chen, Jing-Ru; Chen, Jing-Jing; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Gao, Zi-Wei Construction of two new Co(II)-organic frameworks based on diverse metal clusters: Highly selective C2H2 and CO2 capture and magnetic properties Journal of Solid State Chemistry 305 (2022) 122629
Space group: P m m n :2
Cell volume: 15965
Cell parameters: 29.348; 30.145; 18.0453; 90; 90; 90;

COD ID: 1566056

Formula: - C40 H32 Co N2 O16 -
Comments: Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks Journal of Solid State Chemistry 305 (2022) 122672
Space group: P 1 21/n 1
Cell volume: 3711.92
Cell parameters: 22.4661; 7.4237; 24.5482; 90; 114.956; 90;

COD ID: 1566057

Formula: - C20 H12 Co N Na O7 -
Comments: Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks Journal of Solid State Chemistry 305 (2022) 122672
Space group: A e a 2
Cell volume: 4243.9
Cell parameters: 27.1599; 26.0222; 6.0047; 90; 90; 90;

COD ID: 1566058

Formula: - C20 H12 N Na Ni O7 -
Comments: Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks Journal of Solid State Chemistry 305 (2022) 122672
Space group: A e a 2
Cell volume: 4182.57
Cell parameters: 27.0821; 25.8325; 5.97853; 90; 90; 90;

COD ID: 1566059
CIF file	Formula: - Cu F O4 P Pb - Comments: Long, Jingwen; Huang, Xing; Cui, Meiyan; Zhao, Zhiying; He, Zhangzhen Synthesis, structure and magnetic behaviors of a new fluorophosphate PbCuPO4F Journal of Solid State Chemistry 305 (2022) 122666 Space group: P 1 21/c 1 Cell volume: 402.904 Cell parameters: 4.9323; 9.2826; 8.8; 90; 90.075; 90;

COD ID: 1566060
CIF file	Formula: - Bi2.02 Cd0.98 S4 - Comments: Matyszczak, Grzegorz; Sutuła, Szymon; Krawczyk, Krzysztof; Woźniak, Krzysztof Experimental and theoretical study of crystal structure and bandgap of CdBi2S4 Journal of Solid State Chemistry 305 (2022) 122695 Space group: C 1 2/m 1 Cell volume: 685.769 Cell parameters: 13.12051; 3.98623; 14.6231; 90; 116.278; 90;

COD ID: 1566061

Formula: - C18 H16 Cu N6 O6 -
Comments: Ji, Xiaoxi; Zhu, Xiaopeng; Chen, Shiyu; Song, Dongxue; Wu, Shuangyan; Zhang, Ying; Gao, Enjun; Xu, Jin; Zhu, Mingchang Two Cu(II) and Zn(II) complexes derived from 5-(Pyrazol-1-yl)nicotinic acid: Crystal structure, DNA binding and anticancer studies Journal of Solid State Chemistry 305 (2022) 122707
Space group: P 1 21/n 1
Cell volume: 941.46
Cell parameters: 6.7918; 10.8202; 13.232; 90; 104.493; 90;

COD ID: 1566062

Formula: - C18 H17 N6 O6 Zn -
Comments: Ji, Xiaoxi; Zhu, Xiaopeng; Chen, Shiyu; Song, Dongxue; Wu, Shuangyan; Zhang, Ying; Gao, Enjun; Xu, Jin; Zhu, Mingchang Two Cu(II) and Zn(II) complexes derived from 5-(Pyrazol-1-yl)nicotinic acid: Crystal structure, DNA binding and anticancer studies Journal of Solid State Chemistry 305 (2022) 122707
Space group: P 1 21/n 1
Cell volume: 1926.5
Cell parameters: 11.9796; 10.0261; 16.1223; 90; 95.807; 90;

COD ID: 1566063

Formula: - C20 H17 N3 O4 Zn -
Comments: Wan, Xiaoyu; Zhang, Yifan; Wang, Huaiwei; Lu, Jing; Li, Dacheng; Dou, Jianmin; Li, Yunwu; Wang, Suna One amino-functionalized luminescence sensor demonstrating high sensitivity and selectivity for detecting Al3+ and Cu2+ as well as its luminescent mixed matrix membranes and test papers Journal of Solid State Chemistry 305 (2022) 122705
Space group: P 43
Cell volume: 2038
Cell parameters: 9.102; 9.102; 24.6; 90; 90; 90;

COD ID: 1566064