Crystallography Open Database

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7202371 CIFC53 H41 O5P 1 21/c 120.684; 10.3021; 19.5142
90; 109.332; 90
3923.8Kuroda, Reiko; Sato, Tomohiro; Imai, Yoshitane
Varied charge-transfer complex crystals formed between diols and benzoquinone in the solid and solution states
CrystEngComm, 2008, 10, 1881
7202376 CIFC21 H29 Cl2 Cu N10 O2P -19.6584; 11.3064; 13.3168
69.157; 84.663; 78.634
1331.98Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep
Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries
CrystEngComm, 2008, 10, 1296
7202377 CIFC19 H26 Ag N11 O6I b c a8.7535; 13.673; 43.743
90; 90; 90
5235.5Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep
Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries
CrystEngComm, 2008, 10, 1296
7202378 CIFC18 H16P 1 21/c 114.566; 7.4368; 6.2542
90; 96.822; 90
672.7Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7202379 CIFC18 H16P 1 21/c 114.4012; 7.2212; 6.2416
90; 96.338; 90
645.12Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7202380 CIFC18 H16P b c a7.7403; 9.8733; 18.1285
90; 90; 90
1385.42Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7202381 CIFC18 H16P b c a7.4842; 10.0656; 17.6698
90; 90; 90
1331.12Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7202382 CIFC18 H16P b c a7.883; 9.67; 18.529
90; 90; 90
1412.4Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7202383 CIFC18 H16P b c a7.7439; 9.8691; 18.1365
90; 90; 90
1386.09Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms
CrystEngComm, 2008, 10, 1777
7202389 CIFC7 H5 Cl O2C 1 2/c 114.6382; 3.8142; 23.812
90; 101.146; 90
1304.4Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.
The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences
CrystEngComm, 2008, 10, 1848
7202390 CIFC15 H13 Cl O4P 1 21 13.8267; 23.26; 7.6502
90; 104.372; 90
659.63Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.
The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences
CrystEngComm, 2008, 10, 1848
7202391 CIFC8 H8 O2P 1 21/n 14.831; 19.42; 7.7608
90; 106.87; 90
696.8Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.
The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences
CrystEngComm, 2008, 10, 1848
7202392 CIFC48 H52 N6 O12 S4P -19.5846; 10.1883; 14.561
88.801; 81.921; 63.489
1258.3Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.
Hydrogen-bonding tectons for the construction of bimolecular framework materials
CrystEngComm, 2008, 10, 1782
7202393 CIFC18 H18 N4 O4P -16.54; 7.502; 8.185
90.704; 91.595; 93.648
400.57Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.
Hydrogen-bonding tectons for the construction of bimolecular framework materials
CrystEngComm, 2008, 10, 1782
7202394 CIFC43 H54 N6 O8 S2P -111.9327; 13.0281; 15.8112
85.17; 74.302; 65.333
2149.2Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.
Hydrogen-bonding tectons for the construction of bimolecular framework materials
CrystEngComm, 2008, 10, 1782
7202395 CIFC33 H40 N12 O12 S4C 1 2/c 122.41; 8.27; 23.68
90; 110.17; 90
4119Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.
Hydrogen-bonding tectons for the construction of bimolecular framework materials
CrystEngComm, 2008, 10, 1782
7202396 CIFC28 H42 N16 O6 S2P -17.578; 10.715; 12.6216
65.973; 77.839; 81.588
912.9Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.
Hydrogen-bonding tectons for the construction of bimolecular framework materials
CrystEngComm, 2008, 10, 1782
7202397 CIFC28 H22.55 N4 O6.255 S ZnP c a 2128.635; 11.1436; 17.0423
90; 90; 90
5438.1Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming
Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties
CrystEngComm, 2008, 10, 1527
7202398 CIFC28 H22 N4 O6 S ZnP 21 21 218.7404; 11.3039; 27.252
90; 90; 90
2692.5Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming
Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties
CrystEngComm, 2008, 10, 1527
7202400 CIFC14 H11 N2 Nd O8C m c 2116.67; 9.467; 10.305
90; 90; 90
1626.3Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben
Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties
CrystEngComm, 2008, 10, 1674
7202401 CIFC15 H13 N2 Nd O8P b c n16.39; 10.085; 10.35
90; 90; 90
1710.8Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben
Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties
CrystEngComm, 2008, 10, 1674
7202402 CIFC18 H20 N3 Nd O13P -19.18; 10.517; 13.026
66.45; 85.96; 78.7
1130.5Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben
Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties
CrystEngComm, 2008, 10, 1674
7202403 CIFC14 H11 N2 Nd O8P b c n16.652; 9.474; 10.332
90; 90; 90
1630Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben
Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties
CrystEngComm, 2008, 10, 1674
7202404 CIFC14 H14 I N O2P 1 21/c 114.689; 10.544; 8.6613
90; 91.03; 90
1341.3Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.
Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts
CrystEngComm, 2008, 10, 1750
7202405 CIFC13 H13 I N2 O2P 1 21/c 116.4778; 6.0706; 14.3327
90; 108.452; 90
1359.99Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.
Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts
CrystEngComm, 2008, 10, 1750
7202406 CIFC13 H13 I N2 O2P 1 21/n 112.451; 6.1494; 17.582
90; 96.47; 90
1337.6Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.
Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts
CrystEngComm, 2008, 10, 1750
7202407 CIFC13 H13 I N2 O2P 1 21 16.5652; 17.7228; 11.8193
90; 91.01; 90
1375.01Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.
Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts
CrystEngComm, 2008, 10, 1750
7202408 CIFC20 H18 I2 N2 O4C 1 2/c 134.329; 6.2971; 21.548
90; 114.77; 90
4229.5Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.
Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts
CrystEngComm, 2008, 10, 1750
7202409 CIFC20 H16 F4 I2 N4 O2P 1 21/n 14.2616; 29.232; 17.734
90; 90.86; 90
2209Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202410 CIFC22 H20 F4 I2 N4 O2P -14.845; 9.716; 13.075
104.096; 98.36; 91.246
589.6Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202411 CIFC14 H7 F4 I2 N3P 1 21/c 17.1917; 24.644; 8.7269
90; 100.535; 90
1520.6Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202412 CIFC19 H13 F4 I2 N3 OP 1 21/c 19.0808; 16.3144; 13.6934
90; 91.057; 90
2028.3Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202413 CIFC70 H40 F12 I6 N8 O4P -17.6881; 14.8996; 15.3296
72.16; 88.364; 88.508
1670.61Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202414 CIFC40 H20 F12 I6 N4 O2P -17.2012; 17.6878; 17.7138
89.927; 82.869; 88.275
2237.8Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202415 CIFC33 H21 F8 I4 N5 O6P 21 21 230.345; 4.1878; 16.6946
90; 90; 90
2121.5Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
Ten years of co-crystal synthesis; the good, the bad, and the ugly
CrystEngComm, 2008, 10, 1816
7202416 CIFC16 H16 N2 Nd2 O18P 1 c 16.7735; 9.3861; 16.9365
90; 92.569; 90
1075.69Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang
Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
CrystEngComm, 2008, 10, 1645
7202417 CIFC16 H15 N2 O17.5 Sm2C 1 2/c 122.3162; 9.3759; 22.4546
90; 103.061; 90
4576.7Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang
Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
CrystEngComm, 2008, 10, 1645
7202418 CIFC16 H15 Eu2 N2 O17.5C 1 2/c 122.2466; 9.3529; 22.4043
90; 103.067; 90
4541Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang
Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
CrystEngComm, 2008, 10, 1645
7202419 CIFC16 H15 Gd2 N2 O17.5C 1 2/c 122.2267; 9.3424; 22.3427
90; 103.138; 90
4518Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang
Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
CrystEngComm, 2008, 10, 1645
7202420 CIFC16 H13 N2 O16.5 Tb2C 1 2/c 121.757; 9.1657; 22.457
90; 100.886; 90
4397.7Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang
Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
CrystEngComm, 2008, 10, 1645
7202421 CIFC16 H12 Dy2 N2 O16C 1 2/c 121.7769; 9.2174; 22.3883
90; 101.353; 90
4406Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang
Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
CrystEngComm, 2008, 10, 1645
7202422 CIFC16 H12 Ho2 N2 O16C 1 2/c 121.721; 9.202; 22.347
90; 101.243; 90
4381Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang
Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
CrystEngComm, 2008, 10, 1645
7202423 CIFC69.5 H74 N6 O4 Pd4P -110.265; 18.651; 18.217
78.708; 81.334; 75.924
3298Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph
Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2
CrystEngComm, 2008, 10, 1928
7202424 CIFC42 H46 N3 O2 Pd2P -19.3712; 11.2535; 18.6983
83.304; 84.253; 78.682
1914.31Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph
Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2
CrystEngComm, 2008, 10, 1928
7202425 CIFC43.5 H49 N3 O2 Pd2P -19.5075; 11.3472; 18.5747
82.742; 83.107; 75.987
1920.35Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph
Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2
CrystEngComm, 2008, 10, 1928
7202426 CIFC39 H51 N3 O2 Pd2P 1 21/c 114.2859; 28.3485; 9.2862
90; 103.894; 90
3650.7Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph
Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2
CrystEngComm, 2008, 10, 1928
7202427 CIFC28 H23 Br2 N4 O2P 21 21 214.612; 9.577; 4.5572
90; 90; 90
637.7Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202428 CIFC13 H10 Br2 N2 OP 21 21 29.546; 14.7549; 4.5585
90; 90; 90
642.07Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202429 CIFC14 H13 Cl N2 OP 21 21 29.5777; 14.3646; 4.5596
90; 90; 90
627.31Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875
7202430 CIFC13 H10 Cl2 N2 OP 21 21 29.588; 14.3214; 4.5653
90; 90; 90
626.88Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas
CrystEngComm, 2008, 10, 1875

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