Crystallography Open Database

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7216089 CIFC96 H85 Cd3 N6 O18.5P a -320.6146; 20.6146; 20.6146
90; 90; 90
8760.4Bu, 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 CIFC30 H24 Cu2 N5 O11 P3 VP 1 21/c 113.4837; 13.7172; 18.9414
90; 87.155; 90
3499.1Yucesan, 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 CIFC11 H9 Cu0.5 N O5 P VF d d 217.2481; 26.2681; 11.0818
90; 90; 90
5020.9Yucesan, 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 CIFC16 H13 Cu N2 O8 P2 VP 1 21 18.0833; 11.5444; 10.5565
90; 108.335; 90
935.09Yucesan, 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 CIFC11 H12 Cu2 N O8 P2F d d 220.7505; 45.726; 6.0304
90; 90; 90
5721.9Yucesan, 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 CIFC48 H38 Cu2 N4 O15 P4 V2P -19.7559; 13.8997; 19.7171
101.657; 93.949; 110.477
2424.6Yucesan, 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 CIFC8 H18 Cl3 N O Pb S2P b c n14.87; 25.446; 8.275
90; 90; 90
3131.1Aragoni, 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 CIFC30 H24 N6 O6P 6315.393; 15.393; 6.6615
90; 90; 120
1366.9Süss, 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 CIFC52 H36 N10 O6 SnC 1 2/c 124.842; 18.1089; 10.8129
90; 107.213; 90
4646.4Kim, 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 CIFC23 H27 N O3P 21 21 216.1272; 7.262; 45.252
90; 90; 90
2013.5Xia, 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 CIFC23 H27 N O3P 21 21 216.212; 7.213; 44.481
90; 90; 90
1993.1Xia, 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 CIFC23 H27 N O3P 21 21 216.1739; 7.1907; 44.763
90; 90; 90
1987.2Xia, 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 CIFC64 H46 N12P -19.8663; 10.7948; 12.5957
108.446; 101.895; 93.506
1233.66Gdaniec, 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 CIFC46 H34 N8 OP -17.1084; 12.7044; 20.4711
86.329; 81.084; 77.767
1783.96Gdaniec, 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 CIFC34 H26 N6 O2 SP 1 21/n 114.1875; 8.7245; 23.006
90; 101.831; 90
2787.2Gdaniec, 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 CIFC23 H20 N5P -18.5174; 8.6054; 14.5408
99.694; 93.711; 115.471
937.12Gdaniec, 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 CIFC30 H24 N4P -15.336; 10.8324; 11.4215
66.689; 78.508; 81.096
592.02Gdaniec, 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 CIFC23 H19.5 N0.5 O3P -18.4657; 9.1803; 12.904
95.69; 99.32; 112.12
902.6Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.
Inclusion compounds of isomeric xanthenol hosts with aniline
CrystEngComm, 2005, 7, 731
7216107 CIFC26 H23 N O3P 1 21/c 113.501; 8.8328; 17.207
90; 99.32; 90
2024.9Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.
Inclusion compounds of isomeric xanthenol hosts with aniline
CrystEngComm, 2005, 7, 731
7216108 CIFC81 H48 Cl4 F8 I4 N10 O12 P6C 1 2/c 126.254; 11.6963; 31.383
90; 114.6; 90
8762Bertani, 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 CIFC34 H24 N5 O6 P3P 1 21/c 19.97; 11.443; 27.801
90; 94.14; 90
3163.4Bertani, 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 CIFC20 H28 Br2 Co N4 O12P 1 21/c 110.3728; 6.6329; 20.0945
90; 94.336; 90
1378.58Bourne, 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 CIFC20 H32 Cl2 Co N4 O12P -16.7328; 10.2841; 10.6577
85.2; 70.023; 91.103
690.21Bourne, 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 CIFC20 H24 Co I2 N4 O8I 41/a c d :219.149; 19.149; 13.917
90; 90; 90
5103.1Bourne, 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 CIFC20 H24 Co N6 O14P -17.8139; 9.9126; 17.1863
78.607; 83.46; 85.615
1294.47Bourne, 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 CIFC20 H24 Co N6 O14P -112.129; 12.907; 17.896
77.49; 70.25; 76.28
2532.9Bourne, 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 CIFC10 H22 Co N2 O13 SP 1 21/n 17.122; 25.319; 10.241
90; 93.14; 90
1843.9Bourne, 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 CIFC8 H10 Ag As F6 N2C 1 2/c 112.2972; 10.3781; 19.1675
90; 103.598; 90
2377.62Pocic, 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 CIFC8 H10 Ag F6 N2 SbC 1 2/c 112.3792; 10.6135; 19.1059
90; 101.732; 90
2457.82Pocic, 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 CIFC8 H10 Ag F6 N2 PC 1 2/c 112.3034; 10.1981; 19.2165
90; 105.077; 90
2328.12Pocic, 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 CIFC8 H10 Ag B F4 N2P b c a11.83; 10.034; 17.741
90; 90; 90
2105.9Pocic, 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 CIFC18 H15 O3 PP 1 21/n 111.8146; 9.8538; 13.4621
90; 102.271; 90
1531.4Golovanov, 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 CIFC8 H12 N6 O6P 1 21/c 13.641; 9.363; 17.51
90; 92.5; 90
596.4Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard
An unexpected network in guanidinium rhodizonate
CrystEngComm, 2005, 7, 629
7216126 CIFC8 H8 N2 O3 SP 1 21/n 17.334; 7.6604; 16.1964
90; 95.632; 90
905.54Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.
Prevalence of the thioamide {⋯H‒N‒CS}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 CIFC10 H11 N O2 SP -15.6059; 7.9101; 11.9617
99.223; 101.517; 100.21
500.87Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.
Prevalence of the thioamide {⋯H‒N‒CS}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 CIFC8 H8 Cl N O SP 1 21/n 114.5243; 7.7142; 17.276
90; 110.56; 90
1812.4Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.
Prevalence of the thioamide {⋯H‒N‒CS}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 CIFC10 H11 N O3 SP 1 21/n 18.1538; 6.8174; 18.976
90; 97.586; 90
1045.6Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.
Prevalence of the thioamide {⋯H‒N‒CS}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 CIFC17 H15 Ag F6 N4 O0 SbC 1 2/c 122.5563; 17.1001; 11.3279
90; 108.512; 90
4143.3Jiang, 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 CIFC64 H54 Mo12 N8 O40 SiP -110.779; 11.647; 17.741
86.46; 83.91; 63.32
1978.6Han, 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 CIFC30 H28.4 Cl3 Mo12 N6 O42.2 PC 1 2/c 121.22; 15.343; 24.707
90; 109.23; 90
7595Han, 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 CIFC64 H55 Br4 Mo12 N8 O43 PP -19.783; 14.444; 15.724
88.09; 72.05; 79.4
2077Han, 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 CIFC64 H56 Br4 N8 O43 Si W12P -19.897; 14.401; 15.775
87.64; 72.1; 79.24
2101.6Han, 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 CIFC9 H21 I7 N3 O4 Pb2C 2 e b9.1196; 37.326; 8.8987
90; 90; 90
3029.1Mercier, 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 CIFC8 H20 I4 N2 O4 PbP b c a8.904; 9.266; 24.261
90; 90; 90
2001.6Mercier, 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 CIFC7 H4 Cu I N2P b c a11.3793; 9.6944; 13.5323
90; 90; 90
1492.82Wu, 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 CIFC7 H6 Cu2 I2 N2P 1 21/c 115.8807; 4.1476; 17.2672
90; 111.929; 90
1055.05Wu, 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 CIFC14 H20 O4P 416.7802; 6.7802; 27.425
90; 90; 90
1260.8Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam
Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol
CrystEngComm, 2005, 7, 398
7238096 CIFC14 H20 O4P -19.2811; 9.926; 13.927
92.912; 101.065; 91.848
1256.4Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam
Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol
CrystEngComm, 2005, 7, 398
7238097 CIFC14 H24 O4P -15.958; 5.994; 9.867
86.177; 82.547; 73.2
334.3Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam
Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol
CrystEngComm, 2005, 7, 398
7238098 CIFC40 H42 I2 N2 O4 Pd S2P -16.4271; 12.845; 13.122
87.403; 78.592; 87.916
1060.39Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro
Engineering organic/inorganic diols that reversibly capture and release volatile guests
CrystEngComm, 2005, 7, 527

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