Crystallography Open Database
Search results
Result: there are 194 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'CrystEngComm' volume of publication is 7
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
---|---|---|---|---|---|---|
7216089 | CIF | C96 H85 Cd3 N6 O18.5 | P a -3 | 20.6146; 20.6146; 20.6146 90; 90; 90 | 8760.4 | Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking CrystEngComm, 2005, 7, 411 |
7216090 | CIF | C30 H24 Cu2 N5 O11 P3 V | P 1 21/c 1 | 13.4837; 13.7172; 18.9414 90; 87.155; 90 | 3499.1 | Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety CrystEngComm, 2005, 7, 480 |
7216091 | CIF | C11 H9 Cu0.5 N O5 P V | F d d 2 | 17.2481; 26.2681; 11.0818 90; 90; 90 | 5020.9 | Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety CrystEngComm, 2005, 7, 480 |
7216092 | CIF | C16 H13 Cu N2 O8 P2 V | P 1 21 1 | 8.0833; 11.5444; 10.5565 90; 108.335; 90 | 935.09 | Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety CrystEngComm, 2005, 7, 480 |
7216093 | CIF | C11 H12 Cu2 N O8 P2 | F d d 2 | 20.7505; 45.726; 6.0304 90; 90; 90 | 5721.9 | Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety CrystEngComm, 2005, 7, 480 |
7216094 | CIF | C48 H38 Cu2 N4 O15 P4 V2 | P -1 | 9.7559; 13.8997; 19.7171 101.657; 93.949; 110.477 | 2424.6 | Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety CrystEngComm, 2005, 7, 480 |
7216095 | CIF | C8 H18 Cl3 N O Pb S2 | P b c n | 14.87; 25.446; 8.275 90; 90; 90 | 3131.1 | Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system CrystEngComm, 2005, 7, 544 |
7216096 | CIF | C30 H24 N6 O6 | P 63 | 15.393; 15.393; 6.6615 90; 90; 120 | 1366.9 | Süss, Heike I.; Neels, Antonia; Hulliger, J. 2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering CrystEngComm, 2005, 7, 370 |
7216097 | CIF | C52 H36 N10 O6 Sn | C 1 2/c 1 | 24.842; 18.1089; 10.8129 90; 107.213; 90 | 4646.4 | Kim, Hee-Joon; Jo, Hwa Jin; Kim, Jaheon; Kim, Soo-Young; Kim, Dongwoo; Kim, Kimoon Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules CrystEngComm, 2005, 7, 417 |
7216098 | CIF | C23 H27 N O3 | P 21 21 21 | 6.1272; 7.262; 45.252 90; 90; 90 | 2013.5 | Xia, Wujiong; Scheffer, John R.; Patrick, Brian O. Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones CrystEngComm, 2005, 7, 728 |
7216099 | CIF | C23 H27 N O3 | P 21 21 21 | 6.212; 7.213; 44.481 90; 90; 90 | 1993.1 | Xia, Wujiong; Scheffer, John R.; Patrick, Brian O. Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones CrystEngComm, 2005, 7, 728 |
7216100 | CIF | C23 H27 N O3 | P 21 21 21 | 6.1739; 7.1907; 44.763 90; 90; 90 | 1987.2 | Xia, Wujiong; Scheffer, John R.; Patrick, Brian O. Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones CrystEngComm, 2005, 7, 728 |
7216101 | CIF | C64 H46 N12 | P -1 | 9.8663; 10.7948; 12.5957 108.446; 101.895; 93.506 | 1233.66 | Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines CrystEngComm, 2005, 7, 433 |
7216102 | CIF | C46 H34 N8 O | P -1 | 7.1084; 12.7044; 20.4711 86.329; 81.084; 77.767 | 1783.96 | Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines CrystEngComm, 2005, 7, 433 |
7216103 | CIF | C34 H26 N6 O2 S | P 1 21/n 1 | 14.1875; 8.7245; 23.006 90; 101.831; 90 | 2787.2 | Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines CrystEngComm, 2005, 7, 433 |
7216104 | CIF | C23 H20 N5 | P -1 | 8.5174; 8.6054; 14.5408 99.694; 93.711; 115.471 | 937.12 | Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines CrystEngComm, 2005, 7, 433 |
7216105 | CIF | C30 H24 N4 | P -1 | 5.336; 10.8324; 11.4215 66.689; 78.508; 81.096 | 592.02 | Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines CrystEngComm, 2005, 7, 433 |
7216106 | CIF | C23 H19.5 N0.5 O3 | P -1 | 8.4657; 9.1803; 12.904 95.69; 99.32; 112.12 | 902.6 | Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H. Inclusion compounds of isomeric xanthenol hosts with aniline CrystEngComm, 2005, 7, 731 |
7216107 | CIF | C26 H23 N O3 | P 1 21/c 1 | 13.501; 8.8328; 17.207 90; 99.32; 90 | 2024.9 | Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H. Inclusion compounds of isomeric xanthenol hosts with aniline CrystEngComm, 2005, 7, 731 |
7216108 | CIF | C81 H48 Cl4 F8 I4 N10 O12 P6 | C 1 2/c 1 | 26.254; 11.6963; 31.383 90; 114.6; 90 | 8762 | Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene CrystEngComm, 2005, 7, 511 |
7216109 | CIF | C34 H24 N5 O6 P3 | P 1 21/c 1 | 9.97; 11.443; 27.801 90; 94.14; 90 | 3163.4 | Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene CrystEngComm, 2005, 7, 511 |
7216110 | CIF | C20 H28 Br2 Co N4 O12 | P 1 21/c 1 | 10.3728; 6.6329; 20.0945 90; 94.336; 90 | 1378.58 | Bourne, Susan A.; Moitsheki, Lesego J. Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide CrystEngComm, 2005, 7, 674 |
7216111 | CIF | C20 H32 Cl2 Co N4 O12 | P -1 | 6.7328; 10.2841; 10.6577 85.2; 70.023; 91.103 | 690.21 | Bourne, Susan A.; Moitsheki, Lesego J. Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide CrystEngComm, 2005, 7, 674 |
7216112 | CIF | C20 H24 Co I2 N4 O8 | I 41/a c d :2 | 19.149; 19.149; 13.917 90; 90; 90 | 5103.1 | Bourne, Susan A.; Moitsheki, Lesego J. Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide CrystEngComm, 2005, 7, 674 |
7216113 | CIF | C20 H24 Co N6 O14 | P -1 | 7.8139; 9.9126; 17.1863 78.607; 83.46; 85.615 | 1294.47 | Bourne, Susan A.; Moitsheki, Lesego J. Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide CrystEngComm, 2005, 7, 674 |
7216114 | CIF | C20 H24 Co N6 O14 | P -1 | 12.129; 12.907; 17.896 77.49; 70.25; 76.28 | 2532.9 | Bourne, Susan A.; Moitsheki, Lesego J. Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide CrystEngComm, 2005, 7, 674 |
7216115 | CIF | C10 H22 Co N2 O13 S | P 1 21/n 1 | 7.122; 25.319; 10.241 90; 93.14; 90 | 1843.9 | Bourne, Susan A.; Moitsheki, Lesego J. Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide CrystEngComm, 2005, 7, 674 |
7216116 | CIF | C8 H10 Ag As F6 N2 | C 1 2/c 1 | 12.2972; 10.3781; 19.1675 90; 103.598; 90 | 2377.62 | Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks CrystEngComm, 2005, 7, 624 |
7216117 | CIF | C8 H10 Ag F6 N2 Sb | C 1 2/c 1 | 12.3792; 10.6135; 19.1059 90; 101.732; 90 | 2457.82 | Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks CrystEngComm, 2005, 7, 624 |
7216118 | CIF | C8 H10 Ag F6 N2 P | C 1 2/c 1 | 12.3034; 10.1981; 19.2165 90; 105.077; 90 | 2328.12 | Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks CrystEngComm, 2005, 7, 624 |
7216119 | CIF | C8 H10 Ag B F4 N2 | P b c a | 11.83; 10.034; 17.741 90; 90; 90 | 2105.9 | Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks CrystEngComm, 2005, 7, 624 |
7216120 | CIF | C18 H15 O3 P | P 1 21/n 1 | 11.8146; 9.8538; 13.4621 90; 102.271; 90 | 1531.4 | Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S. Long-awaited polymorphic modification of triphenyl phosphite CrystEngComm, 2005, 7, 465 |
7216125 | CIF | C8 H12 N6 O6 | P 1 21/c 1 | 3.641; 9.363; 17.51 90; 92.5; 90 | 596.4 | Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard An unexpected network in guanidinium rhodizonate CrystEngComm, 2005, 7, 629 |
7216126 | CIF | C8 H8 N2 O3 S | P 1 21/n 1 | 7.334; 7.6604; 16.1964 90; 95.632; 90 | 905.54 | Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T. Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides CrystEngComm, 2005, 7, 682 |
7216127 | CIF | C10 H11 N O2 S | P -1 | 5.6059; 7.9101; 11.9617 99.223; 101.517; 100.21 | 500.87 | Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T. Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides CrystEngComm, 2005, 7, 682 |
7216128 | CIF | C8 H8 Cl N O S | P 1 21/n 1 | 14.5243; 7.7142; 17.276 90; 110.56; 90 | 1812.4 | Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T. Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides CrystEngComm, 2005, 7, 682 |
7216129 | CIF | C10 H11 N O3 S | P 1 21/n 1 | 8.1538; 6.8174; 18.976 90; 97.586; 90 | 1045.6 | Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T. Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides CrystEngComm, 2005, 7, 682 |
7224785 | CIF | C17 H15 Ag F6 N4 O0 Sb | C 1 2/c 1 | 22.5563; 17.1001; 11.3279 90; 108.512; 90 | 4143.3 | Jiang, Ji-Jun; Li, Xiang-Ping; Zhang, Xue-Li; Kang, Bei-Sheng; Su, Cheng-Yong A new Ag(I)-4,4'-bipyridine coordination polymer of honeycomb (6,3) networks containing a Ag~6~(4,4'-bipy)~6~ hexagonal ring of 17 ×26 Å dimensions CrystEngComm, 2005, 7, 603-607 |
7238087 | CIF | C64 H54 Mo12 N8 O40 Si | P -1 | 10.779; 11.647; 17.741 86.46; 83.91; 63.32 | 1978.6 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
7238088 | CIF | C30 H28.4 Cl3 Mo12 N6 O42.2 P | C 1 2/c 1 | 21.22; 15.343; 24.707 90; 109.23; 90 | 7595 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
7238089 | CIF | C64 H55 Br4 Mo12 N8 O43 P | P -1 | 9.783; 14.444; 15.724 88.09; 72.05; 79.4 | 2077 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
7238090 | CIF | C64 H56 Br4 N8 O43 Si W12 | P -1 | 9.897; 14.401; 15.775 87.64; 72.1; 79.24 | 2101.6 | Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates CrystEngComm, 2005, 7, 380 |
7238091 | CIF | C9 H21 I7 N3 O4 Pb2 | C 2 e b | 9.1196; 37.326; 8.8987 90; 90; 90 | 3029.1 | Mercier, Nicolas (HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets CrystEngComm, 2005, 7, 429 |
7238092 | CIF | C8 H20 I4 N2 O4 Pb | P b c a | 8.904; 9.266; 24.261 90; 90; 90 | 2001.6 | Mercier, Nicolas (HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets CrystEngComm, 2005, 7, 429 |
7238093 | CIF | C7 H4 Cu I N2 | P b c a | 11.3793; 9.6944; 13.5323 90; 90; 90 | 1492.82 | Wu, Tao; Li, Dan; Ng, Seik Weng Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers CrystEngComm, 2005, 7, 514 |
7238094 | CIF | C7 H6 Cu2 I2 N2 | P 1 21/c 1 | 15.8807; 4.1476; 17.2672 90; 111.929; 90 | 1055.05 | Wu, Tao; Li, Dan; Ng, Seik Weng Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers CrystEngComm, 2005, 7, 514 |
7238095 | CIF | C14 H20 O4 | P 41 | 6.7802; 6.7802; 27.425 90; 90; 90 | 1260.8 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol CrystEngComm, 2005, 7, 398 |
7238096 | CIF | C14 H20 O4 | P -1 | 9.2811; 9.926; 13.927 92.912; 101.065; 91.848 | 1256.4 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol CrystEngComm, 2005, 7, 398 |
7238097 | CIF | C14 H24 O4 | P -1 | 5.958; 5.994; 9.867 86.177; 82.547; 73.2 | 334.3 | Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol CrystEngComm, 2005, 7, 398 |
7238098 | CIF | C40 H42 I2 N2 O4 Pd S2 | P -1 | 6.4271; 12.845; 13.122 87.403; 78.592; 87.916 | 1060.39 | Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro Engineering organic/inorganic diols that reversibly capture and release volatile guests CrystEngComm, 2005, 7, 527 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!