Crystallography Open Database

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7247365 CIFC32 H77 Ho N O59 P7 W12P 1 21/c 125.749; 14.669; 24.645
90; 113.558; 90
8532.9Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua
Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO
CrystEngComm, 2023, 25, 5851-5860
7247366 CIFC32 H77 N O59 P7 Tm W12P 1 21/c 125.235; 14.4532; 24.186
90; 113.447; 90
8092.9Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua
Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO
CrystEngComm, 2023, 25, 5851-5860
7247367 CIFC32 H77 N O59 P7 W12 YbP 1 21/c 125.633; 14.6214; 24.546
90; 113.451; 90
8439.7Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua
Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO
CrystEngComm, 2023, 25, 5851-5860
7247368 CIFC32 H77 Er N O59 P7 W12P 1 21/c 125.703; 14.6812; 24.6
90; 113.535; 90
8510.7Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua
Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO
CrystEngComm, 2023, 25, 5851-5860
7247369 CIFC32 H77 Lu N O59 P7 W12P 1 21/c 125.34; 14.4644; 24.289
90; 113.49; 90
8164.8Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua
Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO
CrystEngComm, 2023, 25, 5851-5860
7247370 CIFC30 H38 N2 O16 U2P 1 21/n 119.7847; 10.1109; 35.7831
90; 90.6793; 90
7157.6Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination
CrystEngComm, 2023, 25, 5748-5758
7247371 CIFC34 H32 N2 O24 U4P -111.6695; 12.5806; 14.2442
87.165; 88.3831; 84.6902
2079.07Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination
CrystEngComm, 2023, 25, 5748-5758
7247372 CIFC36 H24 N2 O16 U2P -19.7035; 9.714; 10.6933
79.359; 75.201; 71.662
919.03Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination
CrystEngComm, 2023, 25, 5748-5758
7247373 CIFC72 H90 N8 O54 U5P -111.3984; 11.401; 21.9898
88.8056; 79.8563; 60.8371
2449.37Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre
Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination
CrystEngComm, 2023, 25, 5748-5758
7247374 CIFC8 H8 N4 O4P -17.0461; 7.5519; 9.8725
96.563; 102.071; 108.791
476.88Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.
A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate
CrystEngComm, 2023, 25, 5413-5419
7247375 CIFC8 H8 N4 O4P c a 2123.936; 5.1742; 7.7436
90; 90; 90
959.04Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.
A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate
CrystEngComm, 2023, 25, 5413-5419
7247376 CIFC8 H8 N4 O4P -14.9852; 9.8017; 10.6338
67.729; 86.664; 83.011
477.23Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.
A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate
CrystEngComm, 2023, 25, 5413-5419
7247393 CIFC28 H42 Cu3 I5 N4P -110.1442; 10.9745; 17.6401
86.956; 83.873; 88.591
1949.5Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang
Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand
CrystEngComm, 2023, 25, 5722-5729
7247394 CIFC26 H36 Cu2 F2 I4 N4P 1 21/c 115.6992; 16.7737; 12.7912
90; 107.856; 90
3206.1Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang
Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand
CrystEngComm, 2023, 25, 5722-5729
7247395 CIFC26 H36 Br2 Cu2 I4 N4P 1 21/c 116.3175; 16.9139; 12.8313
90; 107.318; 90
3380.8Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang
Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand
CrystEngComm, 2023, 25, 5722-5729
7247396 CIFC26 H36 Cu4 I8 N4P -17.9774; 8.6192; 14.768
81.554; 85.562; 84.147
997.2Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang
Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand
CrystEngComm, 2023, 25, 5722-5729
7247397 CIFC26 H36 Cl2 Cu2 I4 N4P 1 21/c 116.048; 16.8794; 12.8451
90; 107.618; 90
3316.29Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang
Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand
CrystEngComm, 2023, 25, 5722-5729
7247398 CIFC24 H12 O21 Yb5P 1 21/c 19.82977; 22.43648; 13.79565
90; 108.608; 90
2883.51Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.
Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs
CrystEngComm, 2023, 25, 5629-5640
7247399 CIFC12 H12 O9 YbP -17.7973; 9.4775; 10.6851
68.823; 70.748; 74.995
686.3Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.
Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs
CrystEngComm, 2023, 25, 5629-5640
7247400 CIFC48 H36 O30 Yb4P b c a9.59605; 26.1011; 37.7873
90; 90; 90
9464.49Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.
Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs
CrystEngComm, 2023, 25, 5629-5640
7247401 CIFC22 H20 N2 O8 SP 1 21/c 113.989; 7.878; 19.624
90; 101.67; 90
2118Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian
Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety
CrystEngComm, 2023, 25, 5461-5469
7247402 CIFC19 H14 N2 O8 SP -18.3923; 8.5678; 12.9934
79.779; 75.701; 78.675
879.5Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian
Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety
CrystEngComm, 2023, 25, 5461-5469
7247403 CIFC18 H20 N3 O8 SP -18.4052; 9.4814; 13.366
102.279; 106.083; 94.691
988.8Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian
Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety
CrystEngComm, 2023, 25, 5461-5469
7247404 CIFC26 H28 N4 O13 S3P -17.5645; 11.3096; 18.1129
95.837; 97.142; 99.33
1505.4Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian
Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety
CrystEngComm, 2023, 25, 5461-5469
7247405 CIFC14 H13 N2 O5 SP -15.6484; 8.1619; 15.8411
81.03; 85.54; 76.678
701.29Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian
Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety
CrystEngComm, 2023, 25, 5461-5469
7247406 CIFC16 H42 Mo8 N40 O22C 1 2/m 118.2829; 20.7; 10.448
90; 102.276; 90
3863.7Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui
Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases
CrystEngComm, 2023, 25, 5942-5950
7247407 CIFC16 H88 Mo16 N32 Na8 O77F d d d :214.99; 31.7213; 46.9852
90; 90; 90
22341.6Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui
Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases
CrystEngComm, 2023, 25, 5942-5950
7247408 CIFC16 H47 Mo12 N32 Na4 O42P -111.8391; 11.9219; 25.7883
98.134; 97.651; 91.857
3566.31Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui
Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases
CrystEngComm, 2023, 25, 5942-5950
7247409 CIFC36 H31 Mo6 N18 O16P -111.1739; 12.6845; 27.1349
83.745; 81.094; 84.215
3763.17Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui
Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases
CrystEngComm, 2023, 25, 5942-5950
7247410 CIFC14 H22 N4 O11C 1 2/c 118.5643; 15.172; 13.1988
90; 104.662; 90
3596.5Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min
Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations
CrystEngComm, 2023, 25, 5682-5696
7247411 CIFC14 H14 N4 O7P 1 21/c 17.9228; 6.33067; 29.1969
90; 95.122; 90
1458.57Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min
Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations
CrystEngComm, 2023, 25, 5682-5696
7247412 CIFC14 H18 N4 O9C 1 2/c 127.746; 6.6694; 17.362
90; 92.936; 90
3208.6Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min
Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations
CrystEngComm, 2023, 25, 5682-5696
7247413 CIFC16 H16 N4 O5P -18.8706; 9.1259; 11.3422
80.367; 69.633; 67.65
795.46Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min
Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations
CrystEngComm, 2023, 25, 5682-5696
7247415 CIFC6 H7 N3 O4P 1 21/c 115.9305; 7.0439; 15.4405
90; 116.292; 90
1553.38Prohens, Rafel; Barbas, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio
An experimental and computational investigation of the elusive anhydrous form of Oxyma-B
CrystEngComm, 2023, 25, 5818-5826
7247418 CIFC50 H64 Dy2 N22 O18 WC 1 2/c 127.0713; 9.526; 24.0085
90; 93.82; 90
6177.6Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao
Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands
CrystEngComm, 2023, 25, 6030-6038
7247419 CIFC50 H64 Dy2 Mo N22 O18C 1 2/c 126.9939; 9.5351; 24.0996
90; 93.714; 90
6190Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao
Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands
CrystEngComm, 2023, 25, 6030-6038
7247420 CIFC31 H39 Dy Mo N15 O16.5P -110.5532; 11.6027; 18.7684
92.524; 95.871; 108.109
2165.8Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao
Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands
CrystEngComm, 2023, 25, 6030-6038
7247421 CIFC29 H48 Dy N15 O16.5 WP -110.4246; 11.7295; 18.732
93.031; 95.698; 108.135
2157.4Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao
Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands
CrystEngComm, 2023, 25, 6030-6038
7247422 CIFC18 H21 Cd N3 O7 SP 1 21/n 111.7573; 11.5545; 15.8209
90; 106.604; 90
2059.6Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas
Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties
CrystEngComm, 2023, 25, 5673-5681
7247423 CIFC23 H23 Cd N5 O7 SP 1 21/n 111.5878; 17.7103; 13.2737
90; 114.676; 90
2475.3Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas
Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties
CrystEngComm, 2023, 25, 5673-5681
7247424 CIFC16 H22 Cd N4 O6 S4P -15.73025; 8.1274; 12.86566
74.1108; 89.5736; 84.1958
573.204Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas
Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties
CrystEngComm, 2023, 25, 5673-5681
7247425 CIFC62 H68 Cd2 N14 O20 S2P 1 21/c 17.364; 23.3599; 19.2032
90; 93.423; 90
3297.49Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas
Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties
CrystEngComm, 2023, 25, 5673-5681
7247426 CIFC34 H88 Dy2 Fe4 N10 O32P -111.053; 11.22; 13.17
80.21; 80.56; 75.51
1546Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui
Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets
CrystEngComm, 2023, 25, 5893-5899
7247427 CIFC34 H88 Fe4 N10 O32 Y2P -110.8225; 11.1813; 12.9331
79.542; 79.911; 75.815
1478.02Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui
Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets
CrystEngComm, 2023, 25, 5893-5899
7247429 CIFC29 H17 N SP b c a15.7355; 8.0029; 31.7701
90; 90; 90
4000.8Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing
Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane
CrystEngComm, 2023, 25, 5802-5809
7247430 CIFC29 H17 N SP 1 21/c 113.152; 14.0836; 12.0152
90; 115.009; 90
2016.88Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing
Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane
CrystEngComm, 2023, 25, 5802-5809
7247431 CIFC29 H17 N SP 21 21 217.731; 8.1036; 32.103
90; 90; 90
2011.2Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing
Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane
CrystEngComm, 2023, 25, 5802-5809
7247442 CIFC18 H12 Cl2 N2 OP 21 21 217.0782; 12.8899; 17.2503
90; 90; 90
1573.9Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247443 CIFC22 H16 Cl4 N2 O2P 1 21/c 111.404; 12.721; 15.241
90; 109.811; 90
2080Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247444 CIFC18 H12 Cl2 N2 OP 1 21/c 122.923; 11.7148; 11.64
90; 92.091; 90
3123.7Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247445 CIFC22 H16 Cl4 N2 O2C 1 2/c 118.809; 3.8575; 29.184
90; 98.486; 90
2094.3Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247446 CIFC16 H12 Cl2 N2 OP 1 21/c 110.5285; 7.097; 19.468
90; 99.747; 90
1433.7Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247447 CIFC22 H16 Cl4 N2 O2P 1 21/n 110.3339; 7.2993; 14.544
90; 104.972; 90
1059.8Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247448 CIFC22 H16 Cl4 N2 O2P 1 21/c 15.789; 14.243; 12.602
90; 98.64; 90
1027Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247449 CIFC18 H12 Cl2 N2 OP 1 21/n 110.5269; 12.0193; 13.2546
90; 113.08; 90
1542.8Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247450 CIFC22 H16 Cl4 N2 O2P -17.4028; 7.9597; 9.349
100.674; 94.021; 100.27
529.64Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247451 CIFC18 H12 Cl2 N2 OP 1 21 13.8427; 17.047; 11.6457
90; 97.752; 90
755.9Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247452 CIFC24 H16 Cl4 N2 O2P -17.9894; 9.4955; 15.762
85.572; 79.226; 71.653
1114.8Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247453 CIFC22 H16 Cl4 N2 O2P 43 21 28.0784; 8.0784; 32.831
90; 90; 90
2142.6Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247454 CIFC18 H12 Cl2 N2 OP -18.127; 8.5365; 11.656
75.042; 86.122; 78.916
766.5Dubey, Ritesh; Singh, Sandeep
Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
CrystEngComm, 2023, 25, 5697-5705
7247455 CIFC25 H24 Mn N4 O5C 1 2/c 120.8278; 14.7244; 7.739
90; 93.831; 90
2368.07Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247456 CIFC10.5 H9 Mn0.5 N2 O3I 1 2/a 120.3665; 4.5514; 21.1136
90; 101.761; 90
1916.06Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247457 CIFC24 H29 Mn2 N10 O13P n m a22.1459; 12.0673; 12.5517
90; 90; 90
3354.33Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247458 CIFC9 H11 Mn N4 O6.5P n n m11.4647; 15.947; 13.4871
90; 90; 90
2465.81Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247459 CIFC9 H10 Mn N4 O6C 1 c 114.414; 10.48; 7.74
90; 105.64; 90
1125.9Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247460 CIFC21 H23 Mn2 N9 O11C 1 m 112.318; 12.9645; 9.0482
90; 107.377; 90
1379Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247461 CIFC23.5 H18.83 Mn N4.83 O4.83C 1 2/c 123.2881; 10.4868; 24.8587
90; 114.461; 90
5526Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247462 CIFC26 H36 Mn2 N8 O12P 1 21/c 19.1364; 16.5273; 21.5295
90; 101.798; 90
3182.28Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
CrystEngComm, 2023, 25, 6539-6548
7247463 CIFCl4 Co7.38 Na O16 P4I -4 2 m9.115; 9.115; 10.2056
90; 90; 90
847.91Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga
NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype
CrystEngComm, 2023, 25, 6006-6016
7247464 CIFC16 H11 N7 O11P 1 21/c 126.806; 7.7681; 20.357
90; 112.251; 90
3923.3Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming
Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons
CrystEngComm, 2023, 25, 5827-5833
7247465 CIFC14 H12 N10 O14P -16.2299; 7.4168; 12.7696
103.819; 90.179; 95.701
569.9Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming
Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons
CrystEngComm, 2023, 25, 5827-5833
7247467 CIFC10 H10 O3P 1 21/c 115.3694; 5.216; 22.3953
90; 97.797; 90
1778.76Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247468 CIFC10 H10 O3P 1 21/n 112.7762; 5.23515; 14.4736
90; 111.409; 90
901.27Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247469 CIFC10 H10 O3P 1 21/n 112.8223; 5.245; 14.5064
90; 111.569; 90
907.28Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247470 CIFC10 H10 O3P 1 21/n 112.8072; 5.24245; 14.4951
90; 111.513; 90
905.42Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247471 CIFC10 H10 O3P 1 21/n 112.747; 5.22886; 14.4507
90; 111.302; 90
897.37Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247472 CIFC10 H10 O3P 1 21/n 112.7632; 5.23201; 14.4635
90; 111.364; 90
899.46Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247473 CIFC10 H10 O3P 1 21/c 115.4013; 5.2236; 22.451
90; 97.71; 90
1789.86Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247474 CIFC10 H10 O3P 1 21/c 115.3811; 5.21845; 22.4123
90; 97.767; 90
1782.43Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247475 CIFC10 H10 O3P 1 21/c 115.3909; 5.22159; 22.4298
90; 97.735; 90
1786.17Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247476 CIFC10 H10 O3P 1 21/n 112.7932; 5.23468; 14.4811
90; 111.423; 90
902.77Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247477 CIFC10 H10 O3P 1 21/c 115.4043; 5.2267; 22.4631
90; 97.697; 90
1792.29Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia
Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid
CrystEngComm, 2023, 25, 5932-5941
7247478 CIFC7 H8 O6P -17.1034; 7.4941; 15.5567
100.593; 91.274; 111.564
753.39Ghouari, Nasreddine; Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Missaoui, Djallila; Rahmouni, Ali; Bendeif, El-Eulmi; Benali-Cherif, Nourredine
Crystal engineering of a new pharmaceutical polymorph of gallic acid monohydrate: a structural comparative study and chemical computational quantum investigations
CrystEngComm, 2023, 25, 6279-6290
7247481 CIFC36 H42 N8 O6P 1 21/n 113.6491; 16.3995; 15.8476
90; 102.302; 90
3465.8Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai
Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage
CrystEngComm, 2023, 25, 5778-5781
7247482 CIFC38 H44 Cl6 N8 O6I 1 2/a 116.4758; 14.6068; 19.2419
90; 114.749; 90
4205.4Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai
Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage
CrystEngComm, 2023, 25, 5778-5781
7247493 CIFC40 H50 Ag3 Cl4 F18 N2 P3 S8P b c m10.9437; 21.7335; 25.2207
90; 90; 90
5998.61Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji
Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode
CrystEngComm, 2023, 25, 6096-6101
7247494 CIFC25 H31 Ag2 F6 N O6 S4P 1 21 111.5778; 12.0547; 12.4212
90; 111.23; 90
1615.94Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji
Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode
CrystEngComm, 2023, 25, 6096-6101
7247495 CIFC43 H48 Ag4 Cl2 F12 N2 O12 S12C 1 2/c 124.3861; 10.5716; 24.9876
90; 106.3; 90
6182.9Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji
Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode
CrystEngComm, 2023, 25, 6096-6101
7247514 CIFC26 H15 N OP 1 21/c 17.687; 16.132; 14.951
90; 100.35; 90
1823.9Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip
Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism
CrystEngComm, 2023, 25, 6303-6309
7247515 CIFC54 H33 Cl N2P n a 2116.899; 5.502; 41.337
90; 90; 90
3843.4Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip
Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism
CrystEngComm, 2023, 25, 6303-6309
7247516 CIFC27 H17 NP 1 21/c 120.818; 5.388; 17.241
90; 107.1; 90
1848.4Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip
Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism
CrystEngComm, 2023, 25, 6303-6309
7247517 CIFC33 H35 N5 O4P -17.1203; 12.9924; 16.795
90.201; 98.985; 98.48
1517.3Kang, Yanlei; Chen, Jiahui; Hu, Xiurong; Jiang, Yunliang; Li, Zhong
A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention
CrystEngComm, 2023, 25, 6405-6415
7247520 CIFC23 H19 F N2 O11P -19.231; 11.1587; 11.8072
109.53; 108.436; 100.043
1032.67Zhang, Min; Gu, Dai-Lin; Zhen, Jian-Feng; Lu, Tong-Bu; Dai, Xia-Lin; Chen, Jia-Mei
A novel drug–drug cocrystal of tegafur and myricetin: optimized properties of dissolution and tabletability
CrystEngComm, 2023, 25, 6171-6179
7247534 CIFC15 H16 I N2 O2P 1 21/c 18.4502; 21.4984; 8.7348
90; 105.103; 90
1532Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.
Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding
CrystEngComm, 2023, 25, 6152-6161
7247535 CIFC15 H16 I N2 O2P -19.7329; 12.393; 14.382
78.384; 72.269; 72.195
1562Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.
Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding
CrystEngComm, 2023, 25, 6152-6161
7247536 CIFC54 H46 N4P -19.0392; 9.0518; 13.7313
76.202; 74.883; 67.225
988.05Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.
The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines
CrystEngComm, 2023, 25, 6317-6328
7247537 CIFC54 H50 N4P -18.9716; 9.2886; 13.8221
75.212; 76.005; 66.684
1009.8Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.
The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines
CrystEngComm, 2023, 25, 6317-6328
7247538 CIFC56 H50 N4P -18.7173; 11.2718; 12.6826
108.163; 105.764; 104.337
1061.65Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.
The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines
CrystEngComm, 2023, 25, 6317-6328
7247539 CIFC106 H101 N7P 1 21/c 19.0013; 26.7346; 9.0416
90; 114.066; 90
1986.7Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.
The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines
CrystEngComm, 2023, 25, 6317-6328
7247540 CIFC56 H50 N4P -18.9471; 9.974; 13.4375
73.488; 75.543; 74.301
1087.2Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.
The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines
CrystEngComm, 2023, 25, 6317-6328
7247541 CIFC10 H12 B F O4 SiP 1 21/n 113.3215; 6.9213; 13.3412
90; 105.928; 90
1182.9Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247542 CIFC9 H10 B F3 O2 SiP 1 21/c 18.3772; 11.1912; 12.2672
90; 102.988; 90
1120.64Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247543 CIFC9 H9 B F N O2 SiP 1 21/c 19.9043; 9.509; 12.4382
90; 108.389; 90
1111.61Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247544 CIFC9 H10 B F O3 SiP 1 21/m 17.5415; 6.9154; 10.0942
90; 95.474; 90
524.04Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247545 CIFC8 H10 B Cl O2 SiP 1 21/n 114.5174; 10.1711; 14.6098
90; 95.774; 90
2146.31Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247546 CIFC9 H10 B N O2 SiP 1 21/c 113.6654; 18.404; 8.4758
90; 96.021; 90
2119.89Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247547 CIFC8 H10 B F O2 SiP n a 218.9458; 10.0166; 25.8341
90; 90; 90
2314.9Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247548 CIFC9 H10 B F3 O2 SiP 1 21/n 114.0599; 10.9765; 14.9951
90; 94.876; 90
2305.8Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247549 CIFC11 H18 B2 O5 SiP 1 21/c 17.0678; 16.2162; 12.8481
90; 97.58; 90
1459.69Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247550 CIFC8 H10 B Br O2 SiI 41/a :215.6371; 15.6371; 17.646
90; 90; 90
4314.78Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247551 CIFC8 H10 B Cl O2 SiI 41/a :215.507; 15.507; 17.3326
90; 90; 90
4167.92Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247552 CIFC9 H11 B O3 SiI 41/a :215.5827; 15.5827; 17.2392
90; 90; 90
4186.03Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247553 CIFC8 H9 B Cl2 O2 SiP 1 21/n 112.917; 9.3267; 18.3757
90; 91.43; 90
2213.09Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247554 CIFC8 H9 B F2 O2 SiP -17.0164; 12.3417; 18.5513
93.405; 93.926; 105.818
1536.87Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247555 CIFC8 H10 B F O2 SiP 1 21/n 18.5329; 17.0749; 13.9049
90; 101.787; 90
1983.2Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247556 CIFC9 H9 B F2 O3 SiP -16.9101; 8.4399; 10.1501
86.142; 72.322; 70.59
531.58Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247557 CIFC8 H9 B F2 O2 SiP 1 21/n 114.4016; 8.5877; 25.338
90; 95.665; 90
3118.4Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247558 CIFC8 H10 B I O2 SiP b c a6.6288; 11.6079; 29.9883
90; 90; 90
2307.49Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247559 CIFC11 H19 B O2 Si2P -18.616; 9.8164; 17.2931
103.181; 93.671; 100.986
1389.12Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247560 CIFC9 H10 B F3 O2 SiI 41/a :215.8197; 15.8197; 18.3035
90; 90; 90
4580.69Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247561 CIFC8 H9 B F2 O2 SiP 1 21/c 18.3266; 6.6782; 18.9086
90; 96.84; 90
1043.96Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247562 CIFC8 H10 B F O2 SiI 41/a :215.3391; 15.3391; 16.9322
90; 90; 90
3983.94Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247563 CIFC11 H15 B O4 SiP 1 21/n 111.1355; 10.6673; 12.051
90; 112.31; 90
1324.3Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
CrystEngComm, 2023, 25, 6329-6342
7247564 CIFC17 H16 Mn0.5 N4 O3P -17.9293; 8.574; 11.9825
81.591; 88.173; 89.232
805.44Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha
Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions
CrystEngComm, 2023, 25, 6343-6353
7247565 CIFC17 H16 Fe0.5 N4 O3P -17.9266; 8.5888; 11.8991
82.016; 87.908; 89.364
801.69Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha
Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions
CrystEngComm, 2023, 25, 6343-6353
7247566 CIFAs Br2 La3 S5C 1 c 122.3092; 7.1387; 7.1638
90; 98.471; 90
1128.45Cicirello, Andrea; Swindle, Andrew; Wang, Jian
Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure
CrystEngComm, 2023, 25, 6354-6360
7247567 CIFAs2 Cl3 La5 S9P b c m7.0472; 7.1152; 37.1137
90; 90; 90
1860.96Cicirello, Andrea; Swindle, Andrew; Wang, Jian
Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure
CrystEngComm, 2023, 25, 6354-6360
7247568 CIFC45 H63 Cu3 N6 O16 PP 6319.794; 19.794; 9.0285
90; 90; 120
3063.47Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang
Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties
CrystEngComm, 2023, 25, 6132-6136
7247569 CIFC45 H69 Cu3 N6 O19 PF 41 3 237.4254; 37.4254; 37.4254
90; 90; 90
52420.3Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang
Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties
CrystEngComm, 2023, 25, 6132-6136
7247577 CIFC31 H19 N5 O4 ZnP -110.807; 11.9118; 12.0215
118.315; 98.197; 98.075
1309.44Li, Ya-Ping; Zhang, Jian-Hua; Zhang, Xiao-Xia; Liu, Sui-Jun
2D → 3D polycatenated Zn(ii) metal–organic framework with good chemical stability as a fluorescent sensor toward salicylaldehyde, acetylacetone and H2PO4−
CrystEngComm, 2023, 25, 6424-6433
7247579 CIFC15 H14 N2 O6P 1 21/n 14.83768; 14.8178; 20.0275
90; 95.964; 90
1427.88Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
CrystEngComm, 2023, 25, 6185-6193
7247580 CIFC15 H16 Br N O4P 1 21/c 14.7204; 21.155; 15.1364
90; 92.616; 90
1509.95Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
CrystEngComm, 2023, 25, 6185-6193
7247581 CIFC15 H15 N O7 SP 1 c 14.4714; 9.3275; 17.7797
90; 90.109; 90
741.54Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
CrystEngComm, 2023, 25, 6185-6193
7247582 CIFC15 H16 Cl N O4P 1 21/c 14.7037; 20.9656; 14.8427
90; 92.196; 90
1462.65Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
CrystEngComm, 2023, 25, 6185-6193
7247583 CIFC15 H16 N O7 PP 1 21/c 17.9912; 21.7863; 9.0403
90; 100.091; 90
1549.56Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
CrystEngComm, 2023, 25, 6185-6193
7247584 CIFC15 H13 N O3P -13.89223; 10.76523; 15.40737
109.037; 94.011; 90.8565
608.291Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
CrystEngComm, 2023, 25, 6185-6193
7247585 CIFC15 H13 N O3P 1 21/c 13.82566; 15.0716; 21.1995
90; 92.4431; 90
1221.23Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
CrystEngComm, 2023, 25, 6185-6193
7247591 CIFC25 H28 N2 O7P -16.9004; 10.5029; 15.8453
95.066; 92.516; 100.761
1121.6Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro
Multiple intermolecular interactions in guest inclusion by acyclic host compounds
CrystEngComm, 2023, 25, 6137-6143
7247592 CIFC25 H28 N2 O8P -17.0715; 10.4603; 15.71
95.12; 94.102; 99.743
1136.3Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro
Multiple intermolecular interactions in guest inclusion by acyclic host compounds
CrystEngComm, 2023, 25, 6137-6143
7247593 CIFC26 H30 N2 O7P -17.0766; 10.505; 15.939
95.513; 93.85; 100.486
1155.4Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro
Multiple intermolecular interactions in guest inclusion by acyclic host compounds
CrystEngComm, 2023, 25, 6137-6143
7247594 CIFC22 H22 N2 O6P 1 21/n 110.8801; 12.8327; 13.3727
90; 93.49; 90
1863.6Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro
Multiple intermolecular interactions in guest inclusion by acyclic host compounds
CrystEngComm, 2023, 25, 6137-6143
7247595 CIFC22 H22 N2 O6C m c m6.6173; 13.6049; 20.3294
90; 90; 90
1830.2Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro
Multiple intermolecular interactions in guest inclusion by acyclic host compounds
CrystEngComm, 2023, 25, 6137-6143
7247596 CIFC26 H30 N2 O6P -17.1643; 9.8755; 17.073
84.131; 85.474; 72.254
1143Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro
Multiple intermolecular interactions in guest inclusion by acyclic host compounds
CrystEngComm, 2023, 25, 6137-6143
7247597 CIFC18 H36 Cl2 Co N12 O14P 1 21/c 19.7285; 9.8676; 16.7911
90; 97.648; 90
1597.6Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo
2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive
CrystEngComm, 2023, 25, 6449-6454
7247598 CIFC12 H24 Cl2 Cu N8 O12P -17.4339; 8.4275; 9.0714
87.583; 78.69; 77.157
543.34Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo
2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive
CrystEngComm, 2023, 25, 6449-6454
7247599 CIFC49 H47 F6 FeP 1 21/c 111.3155; 17.9907; 20.6727
90; 98.456; 90
4162.67Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood
In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses
CrystEngComm, 2023, 25, 6478-6488
7247600 CIFC18 H19 N3 O6C 1 2/c 118.4087; 8.0394; 23.69
90; 91.284; 90
3505.1Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood
In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses
CrystEngComm, 2023, 25, 6478-6488
7247601 CIFC30 H44 N2 O2P -16.447; 10.416; 11.367
82.665; 87.026; 72.301
721.2Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit
Linker size dependent mechanical properties of di-imine based molecular crystals
CrystEngComm, 2023, 25, 6416-6423
7247602 CIFC34 H52 N2 O2P -110.1433; 11.0854; 15.0978
87.297; 78.914; 89.006
1664Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit
Linker size dependent mechanical properties of di-imine based molecular crystals
CrystEngComm, 2023, 25, 6416-6423
7247603 CIFC32 H48 N2 O2C 1 2/c 118.8769; 6.1559; 26.9215
90; 106.511; 90
2999.4Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit
Linker size dependent mechanical properties of di-imine based molecular crystals
CrystEngComm, 2023, 25, 6416-6423
7247604 CIFC33 H50 N2 O2P 1 21/c 110.9128; 10.0522; 29.338
90; 90.55; 90
3218.2Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit
Linker size dependent mechanical properties of di-imine based molecular crystals
CrystEngComm, 2023, 25, 6416-6423
7247616 CIFC12 H10 N2P 1 21/c 122.3235; 11.7383; 7.558
90; 92.989; 90
1977.8Baig, K. Mohamed Yusuf; Kole, Goutam Kumar
Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight
CrystEngComm, 2023, 25, 6204-6214
7247617 CIFC12 H12 Ag N3 O4P 1 21/n 17.799; 18.295; 8.984
90; 93.931; 90
1278.8Baig, K. Mohamed Yusuf; Kole, Goutam Kumar
Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight
CrystEngComm, 2023, 25, 6204-6214
7247618 CIFC12 H12 Ag B F4 N2 OP 1 21/n 17.7806; 18.88; 9.48
90; 96.15; 90
1384.6Baig, K. Mohamed Yusuf; Kole, Goutam Kumar
Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight
CrystEngComm, 2023, 25, 6204-6214
7247619 CIFC12 H10 Ag F6 N2 SbP n m a12.102; 6.6333; 17.915
90; 90; 90
1438.1Baig, K. Mohamed Yusuf; Kole, Goutam Kumar
Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight
CrystEngComm, 2023, 25, 6204-6214
7247620 CIFC14 H10 Ag F3 N2 O2C 1 2/c 136.304; 5.3887; 15.575
90; 110.695; 90
2850.4Baig, K. Mohamed Yusuf; Kole, Goutam Kumar
Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight
CrystEngComm, 2023, 25, 6204-6214
7247621 CIFC13 H10 Ag F3 N2 O3 SP 1 21/c 16.6106; 17.709; 12.3217
90; 94.626; 90
1437.8Baig, K. Mohamed Yusuf; Kole, Goutam Kumar
Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight
CrystEngComm, 2023, 25, 6204-6214
7247622 CIFC7 H7.5 N2 O1.75P 1 21/n 119.0792; 7.8359; 19.193
90; 94.076; 90
2862.1Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
CrystEngComm, 2023, 25, 6371-6378
7247623 CIFC56 H50 Cl6 N16 O9 Yb2P -113.2616; 16.7698; 16.9393
118.495; 93.043; 103.059
3167.76Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
CrystEngComm, 2023, 25, 6371-6378
7247624 CIFC14 H10 Cu N4 O2P 1 21/n 18.6982; 11.0452; 13.7542
90; 106.867; 90
1264.57Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
CrystEngComm, 2023, 25, 6371-6378
7247625 CIFC42 H36 Cl6 Eu2 N12 O6P -18.4097; 10.7232; 13.8568
79.116; 80.131; 79.915
1195.72Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
CrystEngComm, 2023, 25, 6371-6378
7247626 CIFC21 H18 Eu N9 O12P -18.5699; 11.7452; 14.2218
78.654; 77.154; 70.806
1306.15Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
CrystEngComm, 2023, 25, 6371-6378
7247627 CIFC21 H18 Gd N9 O12P -18.5744; 11.7399; 14.2153
78.681; 77.157; 70.824
1305.88Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
CrystEngComm, 2023, 25, 6371-6378
7247628 CIFC16 H16 Cu2 N4 O4P 1 21/c 112.4309; 10.4129; 13.1342
90; 104.761; 90
1644Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
CrystEngComm, 2023, 25, 6371-6378
7247629 CIFC8 H8 Br3 N Pb SP 21 21 217.7383; 11.5787; 14.7269
90; 90; 90
1319.52Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning
Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations
CrystEngComm, 2023, 25, 6556-6567
7247630 CIFC9 H10 Br3 N Pb SP b c a17.703; 7.827; 20.1031
90; 90; 90
2785.5Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning
Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations
CrystEngComm, 2023, 25, 6556-6567
7247631 CIFC19 H18 Br3 P PbP b c a22.601; 7.8074; 24.284
90; 90; 90
4285Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning
Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations
CrystEngComm, 2023, 25, 6556-6567
7247632 CIFC20 H20 Br3 P PbP b c a22.297; 7.948; 25.2706
90; 90; 90
4478.4Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning
Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations
CrystEngComm, 2023, 25, 6556-6567
7247633 CIFC20 H24 Br8 N2 Pb3 S2P 1 21/c 18.8791; 21.8322; 17.9977
90; 91.913; 90
3486.9Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning
Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations
CrystEngComm, 2023, 25, 6556-6567
7247634 CIFC21 H22 Br3 P PbP 1 21/n 113.3422; 8.1688; 21.4738
90; 95.977; 90
2327.7Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning
Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations
CrystEngComm, 2023, 25, 6556-6567
7247635 CIFC14 H8 N4 S2P 1 21/c 115.6685; 3.7842; 10.8705
90; 108.658; 90
610.67Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.
The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole
CrystEngComm, 2023, 25, 6434-6440
7247636 CIFC14 H8 N4 S2P 1 21/c 18.4275; 6.304; 11.748
90; 93.544; 90
622.94Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.
The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole
CrystEngComm, 2023, 25, 6434-6440
7247637 CIFC70 H40 N12 O8 S6 Zn2P -114.728; 15.36; 15.369
93.63; 113.88; 91.64
3167Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.
The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole
CrystEngComm, 2023, 25, 6434-6440
7247638 CIFC46 H34 N10 O10 S6 Zn2P 1 21/c 117.1947; 18.5446; 15.7154
90; 100.974; 90
4919.52Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.
The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole
CrystEngComm, 2023, 25, 6434-6440
7247639 CIFC28 H16 N4 O5 S2 ZnC 1 2/c 132.53; 8.664; 22.1
90; 96.56; 90
6188Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.
The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole
CrystEngComm, 2023, 25, 6434-6440
7247640 CIFC2 D3 F3 OP 1 21/c 14.6413; 16.1899; 8.557
90; 91.691; 90
642.7Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.
The rich structural phase behaviour of 2,2,2-trifluoroethanol
CrystEngComm, 2023, 25, 6291-6302
7247641 CIFC2 D3 F3 OP 1 21/c 14.654; 16.259; 8.577
90; 91.615; 90
648.8Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.
The rich structural phase behaviour of 2,2,2-trifluoroethanol
CrystEngComm, 2023, 25, 6291-6302
7247642 CIFC2 D3 F3 OP 1 21/c 14.863; 33.054; 8.8694
90; 91.519; 90
1425.2Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.
The rich structural phase behaviour of 2,2,2-trifluoroethanol
CrystEngComm, 2023, 25, 6291-6302
7247643 CIFC9 H14 N4 O8P 1 21 17.712; 7.481; 11.062
90; 108.44; 90
605.4Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang
A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine
CrystEngComm, 2023, 25, 6549-6555
7247644 CIFC9 H13 Ag N4 O8P 21 21 214.6969; 15.1122; 17.3305
90; 90; 90
1230.13Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang
A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine
CrystEngComm, 2023, 25, 6549-6555
7247645 CIFC24 H38 Co F6 N4 O6P 1 21/c 110.0114; 16.1179; 11.3898
90; 120.466; 90
1584.13Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina
Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)
CrystEngComm, 2023, 25, 6194-6203
7247646 CIFC24 H38 F6 N4 Ni O6P 1 21/c 19.9328; 15.9853; 11.4746
90; 120.609; 90
1568.06Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina
Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)
CrystEngComm, 2023, 25, 6194-6203
7247647 CIFC22 H34 F6 N4 Ni O6P 1 21/c 18.9504; 15.8017; 11.5358
90; 118.8; 90
1429.7Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina
Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)
CrystEngComm, 2023, 25, 6194-6203
7247648 CIFC23 H36 Co0.5 F6 N4 Ni0.5 O6P 1 21/c 118.333; 15.836; 11.701
90; 120.036; 90
2940.9Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina
Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)
CrystEngComm, 2023, 25, 6194-6203
7247649 CIFC23 H36 Co F6 N4 O6P 1 21/c 118.514; 15.792; 11.787
90; 120.86; 90
2958.3Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina
Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)
CrystEngComm, 2023, 25, 6194-6203
7247650 CIFC23 H36 F6 N4 Ni O6P 1 21/c 118.564; 15.699; 11.768
90; 120.67; 90
2949.9Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina
Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)
CrystEngComm, 2023, 25, 6194-6203
7247665 CIFC48 H100 S4 SnP 1 21/c 171.41; 8.12; 9.297
90; 91.38; 90
5389Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli
Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals
CrystEngComm, 2023, 25, 5782-5786
7247666 CIFC56 H116 S4 SnP 1 21/c 181.184; 7.8878; 9.253
90; 91.117; 90
5924.2Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli
Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals
CrystEngComm, 2023, 25, 5782-5786
7247667 CIFC64 H132 S4 SnP 1 c 145.6447; 8.1335; 9.3171
90; 92.133; 90
3456.6Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli
Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals
CrystEngComm, 2023, 25, 5782-5786
7247681 CIFC33 H24 In N3 O9R -3 :H13.8174; 13.8174; 26.1691
90; 90; 120
4326.9Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng
Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex
CrystEngComm, 2023, 25, 6627-6634
7247682 CIFC22 H28 N8 Ni O11P -110.949; 11.9806; 12.0973
112.946; 106.988; 99.066
1329.49Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio
Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation
CrystEngComm, 2023, 25, 6503-6511
7247683 CIFC22 H28 N8 O11 ZnP -111.1064; 12.1528; 12.3032
113.663; 106.663; 98.98
1385.8Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio
Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation
CrystEngComm, 2023, 25, 6503-6511
7247685 CIFC8 H20 Cl4 Mn N2 O4P 1 21/c 116.1956; 7.178; 7.2126
90; 100.097; 90
825.49Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie
The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation
CrystEngComm, 2023, 25, 6568-6591
7247686 CIFC6 H20 Cl4 Mn N2 O6C 1 2/c 121.3208; 7.0794; 11.144
90; 107.916; 90
1600.49Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie
The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation
CrystEngComm, 2023, 25, 6568-6591
7247687 CIFC10 H28 Cl4 Mn N2 O6P -15.9046; 7.8188; 11.5638
91.74; 99.872; 104.651
507.33Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie
The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation
CrystEngComm, 2023, 25, 6568-6591
7247688 CIFC12 H28 Cl4 Mn N2 O4P -17.137; 7.2664; 19.6318
85.695; 87.366; 88.66
1013.96Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie
The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation
CrystEngComm, 2023, 25, 6568-6591
7247700 CIFC19 H20 N2 O SP 1 21/c 110.5007; 19.5547; 8.6349
90; 97.941; 90
1756.07Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio
Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions
CrystEngComm, 2023, 25, 6710-6718
7247701 CIFC22 H26 N2 O4 SP 1 21/c 110.4066; 24.9033; 8.8792
90; 97.936; 90
2279.08Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio
Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions
CrystEngComm, 2023, 25, 6710-6718
7247702 CIFC21 H27 N3 O12 TbP -110.4819; 10.9273; 12.5634
104.646; 108.134; 97.016
1291.14Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu
A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing
CrystEngComm, 2023, 25, 6528-6532
7247705 CIFC120 H72 Hf6 O32R -3 :H30.238; 30.238; 15.131
90; 90; 120
11981Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi
A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation
CrystEngComm, 2023, 25, 6489-6495
7247709 CIFC16 H14 Br Cl3 N2 O SC 1 2/c 135.975; 6.3852; 17.1343
90; 104.246; 90
3814.8Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247710 CIFC23 H16 Cl4 N3 O5 SP -17.7627; 11.9414; 14.9934
110.029; 96.939; 103.891
1235.79Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247711 CIFC20 H18 Cl3 N2 O5.5 SP 1 21/n 17.8551; 46.374; 12.4658
90; 90.468; 90
4540.8Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247712 CIFC22 H22 Cl3 N2 O10 SP 17.5563; 8.3022; 20.6593
83.732; 82.528; 89.714
1277.3Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247713 CIFC18 H15 Cl3 N2 O5 SP -110.2522; 10.7638; 11.0528
112.364; 105.711; 96.357
1054.06Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247714 CIFC22 H18 Cl3 N3 O3 SP -18.0219; 12.3226; 23.9838
97.644; 99.212; 90.462
2318.4Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247715 CIFC16 H15 Cl3 N2 O5 S2I 1 2/a 116.9432; 6.7811; 34.455
90; 98.406; 90
3916.1Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247716 CIFC20 H16 Cl3 N2 O3 SP -17.488; 11.3843; 13.028
83.111; 83.102; 75.116
1060.94Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247717 CIFC23 H14 Cl3 N2 O4 S2C 1 2/c 128.7499; 6.6873; 26.7737
90; 106.37; 90
4938.8Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247718 CIFC32 H32 Cl6 N4 O11 S3P -18.4631; 12.0147; 21.5955
82.36; 88.44; 88.592
2175.1Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247719 CIFC20 H25 Cl3 N2 O10.42 SP 21 21 217.6028; 9.9444; 35.6016
90; 90; 90
2691.67Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247720 CIFC32 H42 Cl6 N4 O13 S3P 110.5568; 10.9083; 20.8988
86.078; 77.368; 66.24
2148.81Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247721 CIFC34 H36 Cl6 N4 O10 S2P -17.6541; 15.9993; 17.8133
73.851; 78.295; 85.648
2051.33Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247722 CIFC20 H17 Cl3 N2 O6 SP -17.4874; 8.0833; 19.8791
94.572; 98.318; 94.709
1181.34Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247723 CIFC16 H14 Cl3 N2 O5 P SI 1 2/a 117.2992; 6.8054; 34.882
90; 99.792; 90
4046.8Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247724 CIFC40 H30 Cl6 N4 O6 S2P -110.729; 12.8274; 16.0617
78.507; 83.668; 85.091
2148.36Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.
Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes
CrystEngComm, 2023, 25, 6758-6776
7247730 CIFC48 H48 Co2 N4 O16P 21 21 2112.994; 18.489; 20.221
90; 90; 90
4858Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.
Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions
CrystEngComm, 2023, 25, 6786-6795
7247731 CIFC34 H26 Co N4 O6P c c n10.3085; 16.7006; 18.9218
90; 90; 90
3257.5Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.
Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions
CrystEngComm, 2023, 25, 6786-6795
7247732 CIFC28 H23 N3 Ni O7R -3 :H26.789; 26.789; 25.456
90; 90; 120
15821Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.
Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions
CrystEngComm, 2023, 25, 6786-6795
7247733 CIFC70 H55 N9 Ni2 O12P c c n10.4988; 16.7826; 18.4931
90; 90; 90
3258.43Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.
Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions
CrystEngComm, 2023, 25, 6786-6795
7247734 CIFC8 H4 N4 O2P 1 21/c 17.74397; 5.37413; 18.739
90; 99.3886; 90
769.42Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.
What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties
CrystEngComm, 2023, 25, 6719-6739
7247735 CIFC8 H3 N5 O4P n a 2114.2846; 9.9978; 6.3863
90; 90; 90
912.06Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.
What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties
CrystEngComm, 2023, 25, 6719-6739
7247736 CIFC8 H3 N5 O4P b c a8.6598; 12.7026; 15.575
90; 90; 90
1713.28Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.
What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties
CrystEngComm, 2023, 25, 6719-6739
7247737 CIFC8 H3 N5 O5P n a 2114.40027; 10.46252; 6.13809
90; 90; 90
924.784Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.
What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties
CrystEngComm, 2023, 25, 6719-6739
7247738 CIFC8 H4 N4 O3P 1 21/c 18.0979; 15.91; 18.7119
90; 95.287; 90
2400.54Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.
What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties
CrystEngComm, 2023, 25, 6719-6739
7247739 CIFC8 H2 N6 O6P c a 2112.53304; 8.30693; 9.61288
90; 90; 90
1000.81Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.
What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties
CrystEngComm, 2023, 25, 6719-6739
7247740 CIFC42 H35 Cu O3 P2 SP 1 21/c 122.7584; 9.418; 18.1546
90; 112.265; 90
3601.1Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.
The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates
CrystEngComm, 2023, 25, 6822-6836
7247741 CIFC37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85P -19.658; 10.04345; 18.763
76.6204; 85.3079; 81.3483
1748.37Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.
The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates
CrystEngComm, 2023, 25, 6822-6836
7247745 CIFC20 H26 Cl Cu N9 O4P 1 21/c 17.0295; 27.8164; 12.8722
90; 99.071; 90
2485.5Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar
Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water
CrystEngComm, 2023, 25, 6837-6844
7247750 CIFC30 H18 Mn N4 O4P 1 2/n 17.959; 10.7872; 29.582
90; 93.461; 90
2535.1Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang
Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers
CrystEngComm, 2023, 25, 6777-6785
7247751 CIFC24 H17 Mn N4 O5P -19.584; 10.552; 11.7635
93.832; 111.246; 108.96
1025.39Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang
Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers
CrystEngComm, 2023, 25, 6777-6785
7247762 CIFC8.34 H11 Co N9.17 O0.17I -4 3 m17.1155; 17.1155; 17.1155
90; 90; 90
5013.8Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247763 CIFC8 H10 Co N10.44I -4 3 m16.9979; 16.9979; 16.9979
90; 90; 90
4911.2Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247764 CIFC10 H16 Co N4 OI -4 3 m17.0426; 17.0426; 17.0426
90; 90; 90
4950Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247765 CIFC8 H10 Co N13.73I -4 3 m16.8057; 16.8057; 16.8057
90; 90; 90
4746.5Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247766 CIFC8 H10 Co N13I -4 3 m16.9247; 16.9247; 16.9247
90; 90; 90
4848Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247767 CIFC8 H10 Co N13.33I -4 3 m16.6284; 16.6284; 16.6284
90; 90; 90
4597.81Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247768 CIFC8 H10 Co N10.08I -4 3 m17.074; 17.074; 17.074
90; 90; 90
4977.4Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247769 CIFC10.92 H21.67 Co N4 O2.92I -4 3 m17.2086; 17.2086; 17.2086
90; 90; 90
5096.1Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247770 CIFC11.75 H25 Co N4 O3.75I -4 3 m17.223; 17.223; 17.223
90; 90; 90
5108.9Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247771 CIFC8 H10 Co N13.83I -4 3 m16.7265; 16.7265; 16.7265
90; 90; 90
4679.67Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247772 CIFC8 H10 Co N13.33I -4 3 m16.4992; 16.4992; 16.4992
90; 90; 90
4491.47Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247773 CIFC11.83 H25.33 Co N4 O3.83I -4 3 m17.164; 17.164; 17.164
90; 90; 90
5056.56Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247774 CIFC11 H19 Co N4 O1.5I -4 3 m17.1155; 17.1155; 17.1155
90; 90; 90
5013.82Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247775 CIFC12.5 H28 Co N4 O4.5I -4 3 m16.9823; 16.9823; 16.9823
90; 90; 90
4897.7Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247776 CIFC13.42 H31.67 Co N4 O5.42I -4 3 m17.1651; 17.1651; 17.1651
90; 90; 90
5057.54Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247777 CIFC12.83 H29.33 Co N4 O4.83I -4 3 m16.8677; 16.8677; 16.8677
90; 90; 90
4799.2Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247778 CIFC11.67 H21 Co N4 O1.83I -4 3 m16.923; 16.923; 16.923
90; 90; 90
4846.5Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247779 CIFC8 H10 Co N13.33I -4 3 m16.5684; 16.5684; 16.5684
90; 90; 90
4548.22Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
CrystEngComm, 2023, 25, 6533-6538
7247782 CIFC23 H26 F3 N3 O2P 1 21/c 111.276; 6.42; 29.326
90; 96.45; 90
2109.5Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena
Polymorphism of amantadinium niflumate
CrystEngComm, 2023, 25, 6748-6757
7247783 CIFC23 H26 F3 N3 O2P 1 21/c 116.953; 6.359; 20.573
90; 108.29; 90
2105.8Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena
Polymorphism of amantadinium niflumate
CrystEngComm, 2023, 25, 6748-6757
7247814 CIFC31 H26 Cd2 N4 O11P 1 2/c 110.3061; 8.9312; 16.601
90; 95.428; 90
1521.2Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian
Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes
CrystEngComm, 2023, 25, 6067-6079
7247815 CIFC15.5 H18 Cd N2 O8C 1 2/c 111.0328; 17.1307; 19.2872
90; 93.281; 90
3639.3Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian
Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes
CrystEngComm, 2023, 25, 6067-6079
7247816 CIFC23 H23 Cd N4 O8.5C 1 2/c 127.3243; 10.2895; 17.8117
90; 105.53; 90
4824.99Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian
Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes
CrystEngComm, 2023, 25, 6067-6079
7247817 CIFC33 H38 Cd2 N4 O15P -110.0583; 10.1823; 20.6673
97.263; 94.133; 119.439
1806.38Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian
Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes
CrystEngComm, 2023, 25, 6067-6079
7247818 CIFC9 H8 O4P 1 21/c 112.2633; 6.5624; 11.4726
90; 111.627; 90
858.28Muthusamy, Ramya; Karuppannan, Srinivasan
Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process
CrystEngComm, 2023, 25, 6611-6621
7247819 CIFC9 H8 O4P 1 21/c 111.429; 6.597; 11.395
90; 95.75; 90
854.8Muthusamy, Ramya; Karuppannan, Srinivasan
Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process
CrystEngComm, 2023, 25, 6611-6621
7247820 CIFC74 H101 Co2 Ho2 N7 O37C 1 2/c 126.692; 15.981; 19.803
90; 96.761; 90
8389Ahmed, Naushad; Sahu, Prem Prakash
Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations
CrystEngComm, 2023, 25, 6592-6601
7247821 CIFC74 H101 Co2 N7 O37 Yb2C 1 2/c 126.7585; 16.0409; 19.8206
90; 96.4; 90
8454.6Ahmed, Naushad; Sahu, Prem Prakash
Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations
CrystEngComm, 2023, 25, 6592-6601

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