Crystallography Open Database

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7203053 CIFC42 H84 N6 Ni O12P -112.1915; 12.3098; 16.4178
90.374; 96.009; 95.849
2437.24Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros
Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes
CrystEngComm, 2007, 9, 852
7203054 CIFC H5 N3 O4P 1 21/c 17.9761; 8.2004; 7.3668
90; 103.414; 90
468.697Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu.
NO3–⋯NO3– and NO3–⋯π interactions in the crystal of urea nitrate
CrystEngComm, 2007, 9, 991
7203056 CIFC9 H8 O SP b c a14.745; 5.7176; 20.659
90; 90; 90
1741.7Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203057 CIFC9 H8 O SP 21 21 215.9369; 10.9023; 13.2907
90; 90; 90
860.25Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203058 CIFC9 H8 O2 SP c a 2122.1885; 5.6567; 14.0833
90; 90; 90
1767.6Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203059 CIFC9 H8 O2 SP 1 21 16.0507; 9.6244; 7.9662
90; 109.273; 90
437.91Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203060 CIFC10 H10 O SP -16.7881; 7.9542; 8.7386
94.048; 92.037; 95.872
467.75Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203061 CIFC10 H10 O2 SP 1 21/n 110.5942; 7.9196; 11.5721
90; 98.59; 90
960.03Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203062 CIFC10 H10 O3 SP 21 21 217.9083; 8.889; 14.4521
90; 90; 90
1015.94Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203063 CIFC9 H7 F O2 SP -17.389; 8.134; 8.474
109.23; 98.6; 106.01
445.7Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203064 CIFC11 H12 O3 SP 21 21 216.586; 10.1867; 16.9358
90; 90; 90
1136.22Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.
Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering
CrystEngComm, 2007, 9, 1041
7203066 CIFC20 H13 N O2 SP 21 21 215.8976; 16.381; 16.464
90; 90; 90
1590.6Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael
Concomitant formation of chiral and racemic crystals of a diaryl sulfide
CrystEngComm, 2007, 9, 856
7203067 CIFC20 H13 N O2 SP 1 21/c 18.6557; 12.706; 14.439
90; 94.42; 90
1583.3Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael
Concomitant formation of chiral and racemic crystals of a diaryl sulfide
CrystEngComm, 2007, 9, 856
7203068 CIFC13 H9 Cu2 N3 O4P 1 c 110.864; 5.116; 12.282
90; 104.53; 90
660.8Amo-Ochoa, Pilar; Miguel, Pablo J. Sanz; Castillo, Oscar; Zamora, Félix
An unusual triple parallel interpenetrated 2D Cu-polymer, with a 3D triple interpenetration via H-bonding
CrystEngComm, 2007, 9, 987
7203069 CIFC54 H46 Fe N O13 S32P -19.5456; 11.1348; 37.703
82.05; 86.294; 66.254
3632.7Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth
Metallic molecular crystals containing chiral or racemic guest molecules
CrystEngComm, 2007, 9, 865
7203070 CIFC54 H46 Fe N O13 S32P 19.5293; 11.168; 37.6039
81.788; 86.147; 66.364
3628.4Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth
Metallic molecular crystals containing chiral or racemic guest molecules
CrystEngComm, 2007, 9, 865
7203071 CIFC20 H24 N2 O2P -17.802; 8.471; 8.709
114.3; 96.46; 114.38
449.3Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
CrystEngComm, 2007, 9, 868
7203072 CIFC18 H20 N2 O2P 1 21/c 110.875; 4.72; 15.978
90; 107.312; 90
783Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
CrystEngComm, 2007, 9, 868
7203073 CIFC26 H14 F10 N2 O4P 1 21/c 19.9263; 5.6969; 21.257
90; 94.431; 90
1198.47Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
CrystEngComm, 2007, 9, 868
7203074 CIFC16 H13 F5 N O2P -16.9797; 8.1338; 15.0081
78.383; 80.223; 67.53
767.15Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
CrystEngComm, 2007, 9, 868
7203075 CIFC30 H22 F10 N2 O4P 1 21/c 115.6385; 6.974; 15.1543
90; 118.275; 90
1455.6Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
CrystEngComm, 2007, 9, 868
7203076 CIFC30 H22 F10 N2 O4P -17.0285; 7.5525; 13.6546
91.511; 101.938; 92.892
707.74Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
CrystEngComm, 2007, 9, 868
7203077 CIFC16 H11 F5 N O3P -16.9617; 8.311; 13.3819
91.559; 104.416; 92.117
748.84Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
CrystEngComm, 2007, 9, 868
7203078 CIFC26 H38 N4 O4P 21 21 2111.292; 15.112; 15.805
90; 90; 90
2697Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini
Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate
CrystEngComm, 2007, 9, 860
7203079 CIFC26 H44 N4 O7P 21 21 219.4493; 14.125; 21.736
90; 90; 90
2901.1Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini
Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate
CrystEngComm, 2007, 9, 860
7203080 CIFC12 H24 Cu4 I4 N4I b a m18.473; 37.249; 15.502
90; 90; 90
10667Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua
A coordination polymer of copper(i) iodide with 654 topology constructed from Cu4I4(DABCO)4
CrystEngComm, 2007, 9, 984
7203081 CIFC16 H27 N O7 P2P -19.955; 10.404; 10.839
97.689; 98.771; 111.382
1011Zhang, Jianfeng; Cui, Zhanwei; Wang, Fei; Wang, Yadan; Miao, Zhiwei; Chen, Ruyu
Mannich type reactions of chlorophosphites, phosphoramides and aldehydes (ketones) under solvent-free and catalyst-free conditions—synthesis of N-phosphoramino α-aminophosphonates
Green Chemistry, 2007, 9, 1341
7203082 CIFC42 H35 Cl3 Fe N8 O13P 1 21/c 114.367; 16.29; 18.72
90; 105.06; 90
4231Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia
The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block
CrystEngComm, 2007, 9, 1073
7203083 CIFC46 H33 Fe2 N14 O2 S6P b c n13.1562; 20.3741; 18.8557
90; 90; 90
5054.19Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia
The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block
CrystEngComm, 2007, 9, 1073
7203084 CIFC48 H32 Fe2 N15 S6P b c n13.3057; 20.3495; 18.4014
90; 90; 90
4982.44Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia
The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block
CrystEngComm, 2007, 9, 1073
7203085 CIFC19 H28 N8 Ni O11P 1 21 19.632; 13.811; 11.323
90; 107.433; 90
1437.1Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng
Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands
CrystEngComm, 2007, 9, 1084
7203086 CIFC42 H58 N16 Ni2 O19P c c a29.059; 10.0284; 18.1396
90; 90; 90
5286.2Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng
Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands
CrystEngComm, 2007, 9, 1084
7203087 CIFC42 H58 Co2 N16 O19P c c a29.1836; 10.0604; 18.1377
90; 90; 90
5325.2Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng
Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands
CrystEngComm, 2007, 9, 1084
7203088 CIFC84 H92 Co6 N32 O28P 1 21/n 110.473; 17.597; 14.503
90; 106.452; 90
2563.4Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng
Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands
CrystEngComm, 2007, 9, 1084
7203089 CIFC34 H65 N O6P 1 21 114.5255; 7.921; 14.9241
90; 98.607; 90
1697.78Tomašić, Vlasta; Štefanić, Zoran
Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia
CrystEngComm, 2007, 9, 1124
7203090 CIFC60 H111 N O12P 1 21 118.291; 7.973; 20.566
90; 95.049; 90
2987.6Tomašić, Vlasta; Štefanić, Zoran
Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia
CrystEngComm, 2007, 9, 1124
7203091 CIFC38 H73 N O6P 1 21 114.6044; 7.9746; 17.2816
90; 102.785; 90
1962.79Tomašić, Vlasta; Štefanić, Zoran
Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia
CrystEngComm, 2007, 9, 1124
7203092 CIFC40 H77 N O6P 1 21 114.593; 7.99; 18.702
90; 109.52; 90
2055.3Tomašić, Vlasta; Štefanić, Zoran
Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia
CrystEngComm, 2007, 9, 1124
7203093 CIFC12 H18 Au2 Cu N6P 1 21 18.3621; 11.0698; 9.8203
90; 101.459; 90
890.91Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.
Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine
CrystEngComm, 2007, 9, 1078
7203094 CIFC10 H18 Au Cl Cu N4 O4C 2 2 217.2413; 17.2528; 12.9833
90; 90; 90
1622.04Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.
Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine
CrystEngComm, 2007, 9, 1078
7203095 CIFC48 H168 N40 O100I 4/m m m24.0685; 24.0685; 10.9542
90; 90; 90
6345.7Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.
Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)
CrystEngComm, 2007, 9, 973
7203096 CIFC18 H55 Cl N12 O24P 6/m m m14.4486; 14.4486; 10.5175
90; 90; 120
1901.49Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.
Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)
CrystEngComm, 2007, 9, 973
7203097 CIFC4 H4 N2 O2P n m a11.8672; 12.2217; 6.4287
90; 90; 90
932.4Babu, N. Jagadeesh; Nangia, Ashwini
High Z′ polymorphs have shorter C–H⋯O interactions and O–H⋯O hydrogen bonds
CrystEngComm, 2007, 9, 980
7203098 CIFC4 H4 N2 O2P 1 21/c 13.7239; 11.01; 5.683
90; 96.237; 90
231.62Babu, N. Jagadeesh; Nangia, Ashwini
High Z′ polymorphs have shorter C–H⋯O interactions and O–H⋯O hydrogen bonds
CrystEngComm, 2007, 9, 980
7203099 CIFC34 H40 Fe N2 O8P -17.6982; 10.662; 19.4343
87.531; 86.42; 75.938
1543.67Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Palladino, Giuseppe; Polito, Marco
Solvent effect in a “solvent free” reaction
CrystEngComm, 2007, 9, 879
7209365 CIFAg2.8 Eu Na0.2 Te4P 4 m m4.4544; 4.4544; 11.106
90; 90; 90
220.362Brazis, P.; Kannewurf, C.R.; Patschke, R.; Kanatzidis, M.G.
Cu0.66 Eu Te2, K Cu2 Eu Te4 and Na0.2 Ag2.8 Eu Te4: compounds with modulated square Te nets
Journal of Materials Chemistry, 1999, 9, 2293-2296
7209467 CIFB Fe2 O4P 1 21/c 13.17; 9.3847; 9.2498
90; 90.22; 90
275.175Attfield, J.P.; Rodriguez-Martinez, L.M.; Greneche, J.M.; Cernik, R.J.; Bell, A.M.T.; Clarke, J.F.; le Blanc, M.; Retoux, R.; Perkins, D.A.
Synthesis, structure and properties of a semivalent iron oxoborate, Fe2 O B O3
Journal of Materials Chemistry, 1998, 9, 205-209
7212954 CIFC23 H16 Ag2 N3 S12 Se4P 1 21/c 115.157; 8.7321; 13.507
90; 90.94; 90
1787Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc
Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2
Journal of Materials Chemistry, 1999, 9, 387
7212955 CIFC22 H16 Ag N2 S8 Se8P 21 21 29.5839; 4.983; 34.645
90; 90; 90
1654.5Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc
Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2
Journal of Materials Chemistry, 1999, 9, 387
7212958 CIFC16 H57.5 Mo12.5 N6 O41.5P n m a22.4037; 19.5153; 12.7108
90; 90; 90
5557.35Duraisamy, T.; Ramanan, A.; Vittal, J. J.
Two new inorganic-organic hybrid salts: [NH2Me2]4[NMe4]2-[Mo0.5O4⊂(Mo12O36)]·1.5H2O and [NMe4]2[NH4]2[Mo8O26]·2H2O
Journal of Materials Chemistry, 1999, 9, 763

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