Crystallography Open Database

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7204509 CIFC9 H17 N7 O4 SP 1 21/c 17.202; 11.18; 18.192
90; 100.48; 90
1440.4Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.
The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/
CrystEngComm, 2003, 5, 77
7204510 CIFC10 H18 N6 O8 SC 1 2/c 19.4365; 23.7247; 7.0598
90; 93.656; 90
1577.32Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.
The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/
CrystEngComm, 2003, 5, 77
7204546 CIFC22 H36 Cl2 Cu N8 O4P 1 21/c 18.5807; 14.25; 12.114
90; 109.853; 90
1393.2Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204547 CIFC10 H24 Br2 Cu N8 O2P -19.036; 12.689; 16.37
94.62; 97.051; 91.02
1856Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204548 CIFC12 H30 Cl2 Cu N8 O3P 1 21/c 110.859; 24.988; 7.662
90; 96.259; 90
2066.7Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204549 CIFC13 H32 Br2 Cu N8 O3P -17.6304; 12.062; 12.964
71.233; 78.914; 80.827
1102.5Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204550 CIFC10 H28 Br2 Cu N8 O4P 1 21/c 15.223; 16.539; 11.802
90; 102.806; 90
994.1Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204551 CIFC8 H20 Cl2 Cu N8 O2P 1 21/c 15.2682; 13.403; 11.065
90; 94.56; 90
778.8Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides
CrystEngComm, 2003, 5, 10
7204552 CIFC16 H13 N O4P 1 21 16.983; 16.174; 12.36
90; 99.31; 90
1377.6Smith, Graham; Wermuth, Urs D.; White, Jonathan M.
Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound
CrystEngComm, 2003, 5, 58
7204555 CIFC32 H40 N2 O3P c a 2117.17; 14.26; 24.02
90; 90; 90
5881Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.
Monohelical self-assembly of 5-alkoxyisophthalamides
CrystEngComm, 2003, 5, 38
7204559 CIFC12 H28 Cu N10 O8P 1 21/n 15.383; 15.581; 12.685
90; 101.746; 90
1041.6Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204560 CIFC12 H28 B2 Cu F8 N8 O2P 1 21 15.2725; 15.204; 13.9432
90; 99.532; 90
1102.3Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204561 CIFC22.5 H35 Cu N10 O9P -111.1621; 16.1935; 17.328
83.861; 74.106; 81.143
2969.5Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204562 CIFC10 H24 Cu N10 O8P 1 21/n 15.03; 15.4696; 12.3914
90; 95.916; 90
959.07Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204563 CIFC10 H24 B2 Cu F8 N8 O2P 1 21/n 15.118; 14.676; 13.913
90; 99.989; 90
1029.2Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire
Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates
CrystEngComm, 2003, 5, 23
7204564 CIFC5 H11 Co N O6P 21 21 217.149; 10.468; 11.295
90; 90; 90
845.3Zhang, Yugen; Saha, Manas K.; Bernal, Ivan
[Cobalt(ii)l-glutamate(H2O)·H2O]∞: a new 3D chiral metal‒organic interlocking network with channels
CrystEngComm, 2003, 5, 34
7204565 CIFC54 H36 Cl2 N16P -18.135; 12.011; 12.048
79.86; 89.486; 78.146
1133.7Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Saito, Gunzi
Hydrogen-bonded supramolecular (2,2'-bi-1H-benzimidazole)(2-(2-1H-benzimidazolyl)-1H-benzimidazolium+)2(Cl‒) as an electron donor in a TCNQ complex
CrystEngComm, 2003, 5, 54
7204566 CIFC16 H36 Ag3 N S8 W2P 21 21 2111.689; 14.482; 18.587
90; 90; 90
3146.4Zhou, Jian-Liang; Wang, Yu-Xiao; Wang, Yan; Song, Ying-Lin; Zheng, He-Gen; Li, Yi-Zhi; Yang, Lan-Ping; Xin, Xin-Quan
Synthesis, crystal structure and non-linear optical properties of the heterobimetallic polymeric compound {[n-Bu4N][W2Ag3S8]}n
CrystEngComm, 2003, 5, 62
7204570 CIFC27 H18 Cl N3 O2C m c 2145.207; 6.465; 7.416
90; 90; 90
2167.4Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás
Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal
CrystEngComm, 2003, 5, 42
7204571 CIFC21 H23 Cl N4 O5P 1 21/n 16.545; 28.28; 11.633
90; 103.37; 90
2095Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.
Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate
CrystEngComm, 2003, 5, 48
7204572 CIFC21 H25.4 Cl N4 O6.2P -17.271; 9.144; 16.674
86.93; 80.92; 85.43
1090.3Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.
Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate
CrystEngComm, 2003, 5, 48
7204573 CIFC70 H56 O5P -112.9719; 15.119; 16.799
100.572; 104.897; 113.581
2761.4Guo, Fang; Guo, Wen Sheng; Toda, Fumio
Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds
CrystEngComm, 2003, 5, 45
7204574 CIFC25 H37.5 N O2P 1 21/c 113.22; 10.568; 15.517
90; 105.954; 90
2084.4Guo, Fang; Guo, Wen Sheng; Toda, Fumio
Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds
CrystEngComm, 2003, 5, 45
7204575 CIFC4 H6 N2 O4P -15.5028; 7.0583; 8.2718
70.112; 85.814; 74.095
290.48Lewis, T. C.; Tocher, D. A.; Day, G. M.; Price, S. L.
A computational and experimental search for polymorphs of parabanic acid ‒ a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/
CrystEngComm, 2003, 5, 3
7204576 CIFC14 H10 Cl N O2P 1 21/c 13.8364; 12.916; 12.221
90; 93.91; 90
604.2Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.
Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0
CrystEngComm, 2003, 5, 67
7204577 CIFC14 H10 N2 O4P 1 21/c 13.818; 13.0067; 12.478
90; 94.371; 90
617.85Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.
Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0
CrystEngComm, 2003, 5, 67
7204591 CIFC43 H40 N O P3 PtR -3 :H25.6343; 25.6343; 31.3646
90; 90; 120
17849Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.
An organoplatinum molecular hexagon that crystallizes in a hexagonal array
CrystEngComm, 2003, 5, 65
7204594 CIFC21 H26 N4 O6 SP 1 21/n 113.407; 10.039; 17.115
90; 90.6; 90
2303.4Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204595 CIFC20 H27 N5 O7 SP 1 21/c 117.855; 6.136; 21.349
90; 109.08; 90
2210Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204596 CIFC20 H26 N4 O7 SP 1 21/c 117.507; 6.323; 21.35
90; 107.8; 90
2250.2Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204597 CIFC21 H28 N4 O11 SP 1 21/c 111.442; 18.769; 12.783
90; 114.18; 90
2504.4Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.
Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts
CrystEngComm, 2003, 5, 70
7204607 CIFC23 H30 O5P -16.2565; 10.8094; 17.2183
106.78; 93.498; 102.78
1077.49Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio
Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds
CrystEngComm, 2003, 5, 114-116
7204608 CIFC36 H38 O6P 1 21 19.8539; 9.2288; 33.0868
90; 92.658; 90
3005.67Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio
Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds
CrystEngComm, 2003, 5, 114-116
7204610 CIFC14 H11 Co F2 O6P n m a12.588; 11.726; 8.987
90; 90; 90
1326.5Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia
Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids
CrystEngComm, 2003, 5, 154
7204611 CIFC14 H12 Co F O6P 1 21/n 17.833; 11.696; 14.435
90; 100.13; 90
1301.8Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia
Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids
CrystEngComm, 2003, 5, 154
7204612 CIFC14 H12 Cl Co O6P 1 21/n 17.452; 12.949; 14.886
90; 102.36; 90
1403.1Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia
Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids
CrystEngComm, 2003, 5, 154
7204616 CIFC12 H8 N6P 1 21/c 15.0842; 5.4202; 18.831
90; 94.126; 90
517.59Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions
CrystEngComm, 2003, 5, 82
7204617 CIFC12 H8 N6P 1 21/c 15.0029; 5.4035; 18.788
90; 92.776; 90
507.3Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions
CrystEngComm, 2003, 5, 82
7204618 CIFC10 H6 N8P 1 21/c 112.968; 5.596; 6.813
90; 92.099; 90
494.08Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions
CrystEngComm, 2003, 5, 82
7204619 CIFC18 H22 Ag Cl N0 O4 S2P -110.0506; 10.3341; 11.1873
66.406; 89.958; 71.145
996.5Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.
Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions
CrystEngComm, 2003, 5, 96
7204620 CIFC18 H22 Ag N O3 S2P 1 21/c 112.5416; 9.1826; 17.4612
90; 99.573; 90
1982.91Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.
Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions
CrystEngComm, 2003, 5, 96
7204621 CIFC18 H54 B20 N2 O19 W5P -111.5428; 12.485; 18.4962
97.196; 106.027; 107.916
2372.42Macías, Ramón; Kennedy, John D.; Thornton-Pett, Mark; Román, Pascual
The 'globule‒globule' hybrid dicarbaborane‒polyoxometallate salt, [C2B10H11CH2NHCH(CH3)2]4[W10O32][H2O]2[(CH3)2CO]4
CrystEngComm, 2003, 5, 93
7204622 CIFC29 H32 Cl2 Fe N6 Ni O16.5P 1 21/n 110.1635; 19.999; 20.833
90; 103.159; 90
4123.3Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231
7204623 CIFC31 H40 Cl2 Fe N6 Ni O17C 1 2/c 110.4651; 18.6142; 20.3093
90; 102.868; 90
3856.9Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231
7204624 CIFC30 H35 Cl2 Fe N7 Ni O18C 1 2/c 110.4799; 19.5611; 20.0708
90; 103.669; 90
3997.9Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231
7204625 CIFC27 H17 Cl3 Fe N8 Ni O4 S2P 1 21/c 19.7081; 19.095; 18.094
90; 98.035; 90
3321.3Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231
7204626 CIFC25 H23.5 Br Cl Fe N6 Ni O10.75I -414.9691; 14.9691; 30.3224
90; 90; 90
6794.5Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231
7204627 CIFC79 H75 Cl19 Fe5 N18 O37P n n m32.323; 17.0606; 20.7616
90; 90; 90
11449Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231
7204628 CIFC48 H43 Cl2 Fe N12 Ni2 O20.5P -18.9267; 12.2683; 13.3292
90.215; 101.813; 97.288
1416.63Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231
7204629 CIFC78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39P n n m32.999; 17.1473; 20.9802
90; 90; 90
11871.5Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
CrystEngComm, 2003, 5, 231

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