Crystallography Open Database

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1551207 CIFC67 H117 N Si2C 1 2/c 134.673; 12.09; 17.728
90; 119.214; 90
6486.2Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru
Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage
CrystEngComm, 2019, 21, 3910
1551208 CIFC19 H27 N Si2P 1 21/n 115.104; 6.317; 20.8662
90; 96.345; 90
1978.7Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru
Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage
CrystEngComm, 2019, 21, 3910
7231067 CIFC26 H37 N11 O7P 1 21/n 17.5056; 25.0862; 15.2376
90; 93.195; 90
2864.58Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William
On the kinetics of solvate formation through mechanochemistry
CrystEngComm, 2019, 21, 2097
7231068 CIFC11 H15 N5 O3P -16.6482; 8.7311; 10.9852
82.631; 84.273; 83.701
626.18Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William
On the kinetics of solvate formation through mechanochemistry
CrystEngComm, 2019, 21, 2097
7231305 CIFC26 H24 Cl N5 O3 SP 1 21/n 17.2851; 9.0281; 38.51
90; 95.23; 90
2522.3Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini
Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
CrystEngComm, 2019, 21, 2043
7231306 CIFC26 H24 Cl N5 O3 SP 1 21/c 17.3151; 8.937; 38.9526
90; 93.702; 90
2541.21Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini
Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
CrystEngComm, 2019, 21, 2043
7231307 CIFC22 H23 Cl N4 O4 SP 1 21/c 17.765; 8.741; 34.52
90; 93.96; 90
2337Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini
Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
CrystEngComm, 2019, 21, 2043
7231308 CIFC28 H24 Cl N5 O3 SP 1 21/c 17.1759; 9.4074; 39.0523
90; 93.389; 90
2631.68Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini
Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
CrystEngComm, 2019, 21, 2043
7231309 CIFC28 H28 Cl N5 O4 SP -112.2238; 14.8267; 16.2328
93.228; 107.264; 90.122
2804.46Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini
Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
CrystEngComm, 2019, 21, 2043
7231360 CIFC19 H19 N5 O5 S2P b c a10.4993; 16.0117; 25.1481
90; 90; 90
4227.7Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin
Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs
CrystEngComm, 2019, 21, 2089
7231361 CIFC19 H19 N5 O5 S2P 1 21/c 18.0291; 17.5002; 14.6076
90; 107.827; 90
1953.97Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin
Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs
CrystEngComm, 2019, 21, 2089
7231714 CIFC52 H88 Br2 Cl2 N6 O2P 1 21/n 18.9461; 16.1753; 20.8774
90; 100.396; 90
2971.5Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231715 CIFC72 H104 Cl4 N10 O8 SP 1 21/c 118.1061; 13.5141; 17.5192
90; 111.113; 90
3999Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231716 CIFC52 H88 Br2 Cl2 N6 O2P 1 21/n 19.0143; 15.6469; 21.0997
90; 98.821; 90
2940.8Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231717 CIFC56 H94 Br2 N6 O6P 1 21/c 113.2635; 16.5661; 28.231
90; 93.852; 90
6189Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231718 CIFC56 H94 Cl2 N6 O6P 1 21/c 113.2862; 16.574; 28.0803
90; 93.874; 90
6169.3Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231719 CIFC54 H90 Cl2 N6 O8P -18.4539; 10.2145; 18.1488
92.095; 99.967; 107.977
1461.4Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231720 CIFC52 H88 Br4 N6 O2P 1 21/n 18.9473; 16.101; 21.153
90; 100.9; 90
2992.3Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231721 CIFC58 H104 Br2 N8 O12 S2P -18.2364; 10.9069; 20.0064
85.053; 79.089; 81.371
1741.7Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231722 CIFC52 H92 Cl2 N6 O10 P2P -18.4459; 11.6202; 15.6367
82.597; 83.548; 86.964
1511.05Manna, Utsab; Das, Gopal
Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies
CrystEngComm, 2019, 21, 65
7231736 CIFC20 H14 Hg N6 O S2C 1 2/c 128.861; 9.191; 17.149
90; 111.76; 90
4224.8Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio
Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer
CrystEngComm, 2019, 21, 108
7231737 CIFC15 H12 Hg N6 O S2P 1 21/c 112.9176; 7.7756; 17.4321
90; 93.026; 90
1748.48Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio
Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer
CrystEngComm, 2019, 21, 108
7231754 CIFC6 H12 O2P 1 21/c 17.309; 16.54; 6.169
90; 108.823; 90
705.9Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231755 CIFC12 H24 O2P -15.568; 7.214; 31.782
89.956; 85.324; 89.866
1272.4Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231756 CIFC9 H18 O2P b c n50.25; 7.055; 5.609
90; 90; 90
1988Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231757 CIFC10 H20 O2P -15.565; 7.183; 27.043
90.145; 91.445; 90.099
1080.7Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231758 CIFC8 H16 O2P 1 21/n 19.173; 5.6554; 17.357
90; 104.928; 90
870Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231759 CIFC13 H26 O2P b c n67.94; 7.1161; 5.5638
90; 90; 90
2689.9Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231760 CIFC7 H14 O2C 1 2/c 138.19; 4.088; 9.951
90; 90.206; 90
1553.5Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231761 CIFC14 H28 O2P -15.5474; 7.1923; 36.076
89.983; 89.626; 89.903
1439.3Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231762 CIFC11 H22 O2P b c n58.86; 7.1; 5.574
90; 90; 90
2329.4Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas
Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction
CrystEngComm, 2019, 21, 41
7231779 CIFC48 H31 O13.5 Zn4C 1 2/m 124.47; 24.029; 17.149
90; 90.869; 90
10082Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher
High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks
CrystEngComm, 2019, 21, 60
7231792 CIFC7 H10 F N2 O5P -15.06; 6.392; 15.823
87.32; 83.9; 71.23
481.8Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus
Co-crystallization and polymorphic behaviour of 5-fluorouracil
CrystEngComm, 2019, 21, 2130
7231793 CIFC6 H8 F N2 O5P -15.443; 5.845; 14.47
92.228; 94.392; 110.98
427.5Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus
Co-crystallization and polymorphic behaviour of 5-fluorouracil
CrystEngComm, 2019, 21, 2130
7231794 CIFC23 H28 N4 O3P 1 21/n 113.215; 10.327; 16.162
90; 93.56; 90
2201.4Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang
Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence
CrystEngComm, 2019, 21, 94
7231795 CIFC50 H56 N10 S4 ZnC 1 2/c 120.941; 11.461; 22.337
90; 107.49; 90
5113Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang
Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence
CrystEngComm, 2019, 21, 94
7231796 CIFC26 H27 Hg N6 S3P -111.226; 11.535; 11.969
108.012; 100.682; 90.099
1445.5Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang
Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence
CrystEngComm, 2019, 21, 94
7231834 CIFC26 H33 N3 O6P 1 21 115.407; 5.8843; 15.664
90; 114.753; 90
1289.6Giri, Rajat Subhra; Mandal, Bhubaneswar
Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association
CrystEngComm, 2019, 21, 236
7231835 CIFC25 H31 N3 O6P 1 21 14.96731; 19.4022; 12.4703
90; 92.486; 90
1200.72Giri, Rajat Subhra; Mandal, Bhubaneswar
Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association
CrystEngComm, 2019, 21, 236
7231836 CIFC28 H18 N4 O5P c c n19.4892; 21.6795; 10.5043
90; 90; 90
4438.2Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
CrystEngComm, 2019, 21, 207
7231837 CIFC35 H34 Cl2 N4 O7 ZnP 1 2/c 111.1935; 9.2331; 16.7061
90; 94.587; 90
1721.06Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
CrystEngComm, 2019, 21, 207
7231838 CIFC26 H22 Cl4 N4 O6 ZnP -19.8295; 10.6901; 13.3737
98.589; 94.244; 97.801
1370.28Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
CrystEngComm, 2019, 21, 207
7231839 CIFC26 H18 Cl2 N4 O4P -14.9197; 9.297; 12.906
109.588; 98.253; 91.039
549Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
CrystEngComm, 2019, 21, 207
7231840 CIFC28 H19 Cl2 N5 O4 ZnP n n a10.8226; 23.0562; 10.5332
90; 90; 90
2628.33Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
CrystEngComm, 2019, 21, 207
7231841 CIFC26 H16 Ag F6 N4 O4 SbP 1 21/c 18.6209; 17.8581; 8.0036
90; 90.903; 90
1232.02Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
CrystEngComm, 2019, 21, 207
7231842 CIFC39 H43 N5 O24 Pr2P b c n11.978; 14.504; 28.647
90; 90; 90
4977Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping
3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines
CrystEngComm, 2019, 21, 694
7231843 CIFC39 H43 Dy2 N5 O24P b c n12.0109; 14.1322; 28.639
90; 90; 90
4861.2Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping
3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines
CrystEngComm, 2019, 21, 694
7231844 CIFC36 H52 Cl4 Cu Na O6 S4C 1 2/c 121.805; 12.6126; 16.2518
90; 107.833; 90
4254.8Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix
Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers
CrystEngComm, 2019, 21, 957
7231845 CIFC68 H46 Cl16 Cu8 N10 S16P 1 21/c 17.8265; 13.197; 44.68
90; 92.759; 90
4609.5Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix
Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers
CrystEngComm, 2019, 21, 957
7231846 CIFC12 H4 Cl4 Cu O Rb S4C 1 2/c 126.295; 3.9413; 17.479
90; 102.299; 90
1769.9Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix
Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers
CrystEngComm, 2019, 21, 957
7231847 CIFC12 H4 Cl4 Cu K O S4C 1 2/c 126.2707; 3.9461; 17.367
90; 102.37; 90
1758.58Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix
Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers
CrystEngComm, 2019, 21, 957
7231848 CIFC36 H52 Cl4 Cu K O6 S4P 1 21/n 112.2137; 12.4992; 15.7574
90; 109.812; 90
2263.16Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix
Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers
CrystEngComm, 2019, 21, 957
7231864 CIFAl13 H53 O67 S3P 1 n 114.03; 11.502; 17.598
90; 102.18; 90
2775.9An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng
Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions
CrystEngComm, 2019, 21, 202
7231865 CIFAl13 H12 Na O70 S4F -4 3 m17.779; 17.779; 17.779
90; 90; 90
5619.8An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng
Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions
CrystEngComm, 2019, 21, 202
7231881 CIFC61 H25 Eu2 N O20P -110.593; 15.5318; 21.2702
71.268; 79.79; 85.077
3260.1Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun
A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules
CrystEngComm, 2019, 21, 321
7231882 CIFC61 H30 N O20 Tb2P -110.5886; 15.1959; 21.2747
71.86; 79.293; 82.292
3185.7Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun
A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules
CrystEngComm, 2019, 21, 321
7231883 CIFC61 H25 Dy2 N O20P -110.5924; 15.1775; 21.2599
71.994; 79.331; 82.276
3183.38Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun
A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules
CrystEngComm, 2019, 21, 321
7231884 CIFC68 H25 Gd2 N4 O22P -110.604; 15.2602; 21.269
71.882; 79.392; 82.535
3205.4Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun
A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules
CrystEngComm, 2019, 21, 321
7231885 CIFC6 H35 Ca0 Cu Mo5 N6 O28.5 P2C 1 c 114.8162; 14.5193; 16.0799
90; 109.266; 90
3265.4Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity
CrystEngComm, 2019, 21, 394
7231886 CIFC12 H78 Cu4 Mo10 N12 O65 P4C 1 2/c 128.685; 18.298; 18.24
90; 122.743; 90
8053Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity
CrystEngComm, 2019, 21, 394
7231887 CIFC20 H28 Cl3 N3 O3P 1 21/n 17.6961; 10.9153; 27.2368
90; 96.1341; 90
2274.93Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro
Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation
CrystEngComm, 2019, 21, 2053
7231888 CIFC14 H14 N2 O4P n a 2126.744; 3.866; 24.352
90; 90; 90
2517.8Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments
CrystEngComm, 2019, 21, 2119
7231889 CIFC15 H18 N2 O3P n a 2112.8319; 11.667; 9.5936
90; 90; 90
1436.26Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments
CrystEngComm, 2019, 21, 2119
7231890 CIFC11 H11 N3 O5P 1 21/n 17.6177; 6.5936; 22.5748
90; 97.516; 90
1124.15Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments
CrystEngComm, 2019, 21, 2119
7231891 CIFC14 H14 N2 O4P 1 21/c 13.9358; 15.944; 20.68
90; 90.305; 90
1297.7Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments
CrystEngComm, 2019, 21, 2119
7231892 CIFC12 H13 N3 O4C 1 2/c 110.1018; 11.3577; 21.6477
90; 98.4472; 90
2456.8Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.
Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments
CrystEngComm, 2019, 21, 2119
7231901 CIFB K3 O13 Sb4P -17.1167; 7.2147; 13.2268
81.973; 99.788; 117.046
594.55Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric
New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor
CrystEngComm, 2019, 21, 594
7231902 CIFB O13 Rb3 Sb4P -17.1593; 7.2533; 13.4894
82.358; 99.999; 117.321
611.75Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric
New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor
CrystEngComm, 2019, 21, 594
7231903 CIFB K0.99 O13 Rb2.01 Sb4P -17.1456; 7.239; 13.4113
82.058; 100.051; 117.205
606.16Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric
New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor
CrystEngComm, 2019, 21, 594
7231905 CIFC H6 Cl3 N PbP m -3 m5.6867; 5.6867; 5.6867
90; 90; 90
183.9Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh
Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method
CrystEngComm, 2019, 21, 656
7231906 CIFC18 H20 Cu N6 O14P -16.8028; 8.47; 11.01
73.643; 87.812; 75.045
587.69Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia
Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance
CrystEngComm, 2019, 21, 462
7231907 CIFC8 H5 Cu2 N6 O8P 1 21/n 17.889; 8.2289; 19.101
90; 96.213; 90
1232.7Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia
Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance
CrystEngComm, 2019, 21, 462
7231908 CIFC12 H9 N3 O2 SP 1 21/c 13.8517; 18.458; 16.3545
90; 92.481; 90
1161.63Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.
Accuracy and reproducibility in crystal structure prediction: the curious case of ROY
CrystEngComm, 2019, 21, 2080
7231909 CIFC12 H9 N3 O2 SP 1 21/c 13.8517; 18.458; 16.3545
90; 92.481; 90
1161.63Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.
Accuracy and reproducibility in crystal structure prediction: the curious case of ROY
CrystEngComm, 2019, 21, 2080
7231912 CIFC30 H40 Cu2 I2 N10P 1 21/n 115.8546; 11.2212; 19.1473
90; 93.305; 90
3400.79Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham
Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties
CrystEngComm, 2019, 21, 251
7231913 CIFC16 H24 Cl2 Cu2 N6 O2P 1 21/n 18.213; 10.6509; 24.483
90; 94.124; 90
2136.1Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham
Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties
CrystEngComm, 2019, 21, 251
7231914 CIFC24 H36 Br4 Cu4 N8 O4P 1 21/n 18.9045; 14.2825; 12.8264
90; 95.806; 90
1622.87Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham
Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties
CrystEngComm, 2019, 21, 251
7231915 CIFC29 H25 Cd N5 O7P -19.949; 11.344; 12.395
98.565; 90.042; 91.149
1383Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.
Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption
CrystEngComm, 2019, 21, 535
7231916 CIFC40 H26 N4 O13 S2 Zn2P 19.894; 12.719; 12.789
60.037; 77.603; 83.457
1361.7Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.
Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption
CrystEngComm, 2019, 21, 535
7231917 CIFLi O UP -119.278; 30.847; 31.788
103.418; 99.2516; 95.3487
17980Traustason, H.; Aksenov, S. M.; Burns, P. C.
The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24
CrystEngComm, 2019, 21, 390
7231918 CIFC28 H38 N2 O5P 1 21 18.8708; 15.609; 18.593
90; 90.01; 90
2574.5Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu
Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons
CrystEngComm, 2019, 21, 2144
7231919 CIFC26.5 H38.5 N3 O3.75C 1 2 132.061; 11.0501; 7.0657
90; 93.859; 90
2497.5Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu
Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons
CrystEngComm, 2019, 21, 2144
7231920 CIFC28 H38 N2 O5P 1 21 19.6635; 23.495; 11.8249
90; 113.761; 90
2457.19Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu
Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons
CrystEngComm, 2019, 21, 2144
7231921 CIFC29 H38 N2 O5P 1 21 17.866; 11.3879; 29.2351
90; 95.638; 90
2606.1Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu
Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons
CrystEngComm, 2019, 21, 2144
7231922 CIFC8 H3 N S3P c a 2130.935; 3.8492; 13.9128
90; 90; 90
1656.7Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra
A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions
CrystEngComm, 2019, 21, 637
7231923 CIFC13 H6 I3 N S6C 1 2/c 19.4744; 15.4187; 26.876
90; 91.64; 90
3924.5Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra
A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions
CrystEngComm, 2019, 21, 637
7231924 CIFC13 H7 N S6P c a 2114.1394; 4.065; 24.6729
90; 90; 90
1418.12Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra
A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions
CrystEngComm, 2019, 21, 637
7231925 CIFC26 H14 N2 S12P -17.7442; 7.744; 26.3522
81.877; 83.912; 65.73
1424.22Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra
A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions
CrystEngComm, 2019, 21, 637
7231926 CIFC8 H3 N O S2P 1 21/c 13.8349; 14.8206; 13.7718
90; 92.231; 90
782.13Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra
A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions
CrystEngComm, 2019, 21, 637
7231927 CIFC101 H86 Cu2 N5 O21C 2 2 2122.4236; 29.6641; 15.5246
90; 90; 90
10326.6Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia
A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation
CrystEngComm, 2019, 21, 487
7231928 CIFC48 H56 O13P 1 21/c 112.99; 17.916; 20.699
90; 106.068; 90
4629.1Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231929 CIFC45 H36 O11P -110.236; 13.402; 15.695
64.813; 74.226; 83.78
1874.9Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231930 CIFC44 H32 O10P n m a27.04; 17.777; 8.1345
90; 90; 90
3910.2Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231931 CIFC44 H52 O11F d d d :222.73; 26.88; 28.36
90; 90; 90
17327Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231932 CIFC45 H52 O12P 1 21/n 110.6822; 17.951; 23.18
90; 95.295; 90
4425.9Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231933 CIFC42.25 H51 O13P 1 21/n 110.6209; 17.125; 22.296
90; 95.218; 90
4038.5Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231934 CIFC64 H68 N4 O12I 41/a :218.745; 18.745; 16.688
90; 90; 90
5864Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231935 CIFC44 H48 O12P -417.9565; 17.9565; 12.1543
90; 90; 90
3919Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7231936 CIFC19 H12 Cl3 F2 N2 O3 ReP -17.148; 9.283; 17.067
105.716; 98.767; 95.949
1064.83Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.
New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies
CrystEngComm, 2019, 21, 77
7231937 CIFC19 H12 Br Cl4 N2 O3 ReP -17.1653; 10.1441; 16.1968
86.971; 82.27; 71.257
1104.65Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.
New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies
CrystEngComm, 2019, 21, 77

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