Crystallography Open Database

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7204707 CIFC18 H40 O32 Pr2P -310.2182; 10.2182; 8.9084
90; 90; 120
805.5Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard
Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/
CrystEngComm, 2003, 5, 313
7204708 CIFC18 H40 Nd2 O32P -310.2151; 10.2151; 8.9021
90; 90; 120
804.5Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard
Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/
CrystEngComm, 2003, 5, 313
7204709 CIFC18 H52 Nd2 O38P b c a10.8647; 19.681; 19.974
90; 90; 90
4271Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard
Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/
CrystEngComm, 2003, 5, 313
7204710 CIFC18 H52 Eu2 O38P b c a10.761; 19.427; 19.681
90; 90; 90
4114Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard
Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/
CrystEngComm, 2003, 5, 313
7204715 CIFC24 H18 Fe2P 1 21/c 111.049; 9.568; 8.767
90; 102.35; 90
905.4Maharaj, Felicia; McDonagh, Andrew; Scudder, Marcia; Craig, Don; Dance, Ian
Crystal packing principles for ferrocenyl groups linked by polyyne chains: dimorphism of Fc-C4-Fc
CrystEngComm, 2003, 5, 305
7204716 CIFC55 H52 N2 O8P -113.1315; 14.2151; 14.6358
109.428; 112.98; 97.464
2263.3Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204717 CIFC62 H60 N2 O8P 1 21/n 117.4271; 13.5493; 21.605
90; 95.172; 90
5080.7Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204718 CIFC52 H56 N2 O9P -111.5406; 14.0385; 15.682
71.78; 75.01; 65.873
2177.2Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204719 CIFC63 H66 N4 O9P 1 21/c 120.7807; 16.339; 15.4817
90; 98.073; 90
5204.5Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204720 CIFC33 H34 N2 O4.5P b c n15.9821; 14.3963; 23.765
90; 90; 90
5467.9Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204721 CIFC65 H64 N4 O8P -111.7903; 14.9265; 15.6196
94.159; 92.529; 100.758
2688.8Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204722 CIFC62 H50 N3 O8P -110.3752; 12.2621; 20.1337
95.181; 103.948; 94.166
2463.9Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204723 CIFC42.75 H41.25 N2 O5.25P 1 21/m 111.1453; 24.728; 13.097
90; 102.415; 90
3525.1Nakamura, A.; Sato, T.; Kuroda, R.
Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/
CrystEngComm, 2003, 5, 318
7204729 CIFC6 H5 Cl2 N OP m n b6.358; 8.744; 13.594
90; 90; 90
755.7Kalle I. Nättinen; Kari Rissanen
Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state
CrystEngComm, 2003, 5, 326-330
7204730 CIFC6 H5 Cl2 N OP 1 21/n 17.2695; 4.9453; 20.2207
90; 95.99; 90
722.96Kalle I. Nättinen; Kari Rissanen
Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state
CrystEngComm, 2003, 5, 326-330
7204731 CIFC6 H5 Cl2 N OP 1 21/n 17.223; 4.962; 20.324
90; 97.06; 90
722.9Kalle I. Nättinen; Kari Rissanen
Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state
CrystEngComm, 2003, 5, 326-330
7204732 CIFC5 H9 N O2 S2P 1 21/c 111.8327; 7.6628; 14.1769
90; 138.21; 90
856.62Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia
Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates
CrystEngComm, 2003, 5, 337
7204733 CIFC6 H11 N O2 S2P 1 21/c 18.8922; 7.4758; 14.305
90; 99.742; 90
937.2Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia
Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates
CrystEngComm, 2003, 5, 337
7204734 CIFC7 H13 N O2 S2P 1 21/c 113.198; 7.613; 11.927
90; 116.71; 90
1070.5Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia
Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates
CrystEngComm, 2003, 5, 337
7204735 CIFC11 H13 N O2 S2P 1 21/c 114.046; 10.84; 8.852
90; 107.97; 90
1282Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia
Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates
CrystEngComm, 2003, 5, 337
7204740 CIFC6 H7 Br2 NP 1 21/c 17.9431; 13.2946; 7.6992
90; 104.125; 90
788.46Jones, Peter G.; Vancea, Fabiola
Unexpected isostructurality by permutation of classical and ?weak? hydrogen bonds
CrystEngComm, 2003, 5, 303
7204741 CIFC10 H10 Cl6 Co N2P -16.7526; 8.1793; 14.806
92.114; 93.148; 99.358
804.8Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams
Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)
CrystEngComm, 2003, 5, 343-345
7204742 CIFC10 H10 Br2 Cl4 Co N2P -16.8163; 8.9754; 13.7869
86.386; 85.454; 86.873
838.1Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams
Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)
CrystEngComm, 2003, 5, 343-345
7204743 CIFC10 H10 Cl4 Co I2 N2P 1 21/c 16.983; 16.1749; 15.7849
90; 96.306; 90
1772.1Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams
Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)
CrystEngComm, 2003, 5, 343-345
7204894 CIFC8 H12 Hg2 O4 S8P b c a10.605; 8.003; 23.478
90; 90; 90
1992.6Tiekink, Edward R. T.
Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?
CrystEngComm, 2003, 5, 101
7204895 CIFC18 H36 Hg N2 S4C 1 2/c 126.27; 13.654; 13.863
90; 96.64; 90
4939Tiekink, Edward R. T.
Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?
CrystEngComm, 2003, 5, 101
7204896 CIFC10 H15 Hg P S2P 1 21/c 16.238; 20.162; 11.281
90; 104.63; 90
1372.8Sing Lai, Chian; Tiekink, Edward R. T.
Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates
CrystEngComm, 2003, 5, 253
7204897 CIFC6 H12 Hg N2 S4C 1 2/c 117.308; 7.558; 9.978
90; 113.24; 90
1199.4Tiekink, Edward R. T.
Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?
CrystEngComm, 2003, 5, 101
7204899 CIFC20 H40 N4 S8 Zn2P 1 21/n 19.814; 10.667; 15.655
90; 104.06; 90
1589.8Tiekink, Edward R. T.
Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?
CrystEngComm, 2003, 5, 101
7204900 CIFC10 H20 Cd N2 S4P 1 21/c 19.8208; 10.7609; 15.9952
90; 103.581; 90
1643.12Tiekink, Edward R. T.
Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?
CrystEngComm, 2003, 5, 101
7205040 CIFC19 H12 N4 O6P 1 21/n 111.741; 12.828; 12.047
90; 108.46; 90
1721.1Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.
C‒H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles
CrystEngComm, 2003, 5, 87
7205041 CIFC18 H11 N5 O6P 1 21/n 110.962; 13.48; 12.092
90; 108.89; 90
1690.6Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.
C‒H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles
CrystEngComm, 2003, 5, 87
7205042 CIFC24 H15 N6 O6P -17.0781; 9.7139; 15.787
86.83; 88.33; 83.08
1075.6Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.
C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles
CrystEngComm, 2003, 5, 87
7205043 CIFC39 H30 Cl2 Cr N6 O2 S14P -113.977; 18.93; 10.148
105.71; 106.23; 82.19
2476Sayaduzzaman, Mohammad; Katsuhara, Mao; Nii, Hirofumi; Kawamoto, Tadashi; Mori, Takehiko
Structural and magnetic properties of (C2TEO-TTP)[Cr(isoq)2(NCS)4]�CH2Cl2
CrystEngComm, 2003, 5, 300
7216268 CIFC74 H51.5 Cu N9.5 O12P 1 21/n 110.484; 19.531; 31.33
90; 93.382; 90
6404.1Vinodu, Mikki; Goldberg, Israel
Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins
CrystEngComm, 2003, 5, 490
7216269 CIFC65 H46 N8 O10 ZnP 1 21/n 116.188; 19.606; 18.203
90; 109.438; 90
5448Vinodu, Mikki; Goldberg, Israel
Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins
CrystEngComm, 2003, 5, 490
7216270 CIFC18 H18 O3C 1 c 114.391; 20.228; 9.782
90; 91.96; 90
2845.9Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram
Multiple molecules in the crystallographic asymmetric unit. Self host‒guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols
CrystEngComm, 2003, 5, 447
7216271 CIFC20 H22 O3P 1 21/n 110.004; 15.783; 20.253
90; 94.79; 90
3186.6Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram
Multiple molecules in the crystallographic asymmetric unit. Self host‒guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols
CrystEngComm, 2003, 5, 447
7216272 CIFC32.77 H24 N2 O9.54 Rh2P -19.572; 10.424; 10.977
71.27; 66.062; 63.155
880.3Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi
Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework
CrystEngComm, 2003, 5, 411
7216273 CIFC32 H24 Ar1.12 N2 O8 Rh2P -19.588; 10.322; 10.861
72.139; 64.783; 62.722
856Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi
Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework
CrystEngComm, 2003, 5, 411
7216274 CIFC26 H29 N OP -111.3947; 15.7982; 18.4861
91.028; 99.107; 93.377
3278.88Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin
Temperature-dependent phase transition in a phenylfluorenol inclusion compound
CrystEngComm, 2003, 5, 351
7216275 CIFC26 H29 N OP -18.7451; 11.472; 12.336
100.72; 96.13; 111.23
1112.8Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin
Temperature-dependent phase transition in a phenylfluorenol inclusion compound
CrystEngComm, 2003, 5, 351
7216276 CIFC15 H16 N2 O4P b c a19.763; 13.835; 10.175
90; 90; 90
2782.1Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi
Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids
CrystEngComm, 2003, 5, 358
7216277 CIFC6 H7 N2 O5.57P -17.231; 8.296; 9.235
115.97; 102.84; 91.74
480.4Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi
Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids
CrystEngComm, 2003, 5, 358
7216278 CIFC11 H9.5 N2 O4P 1 21/c 19.639; 5.083; 23.066
90; 106.817; 90
1081.8Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi
Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids
CrystEngComm, 2003, 5, 358
7216279 CIFC15 H10 N2 O4P 1 21/c 110.157; 5.13; 26.067
90; 90.98; 90
1358Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi
Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids
CrystEngComm, 2003, 5, 358
7216280 CIFC10 H6 O3P 1 21/c 13.824; 9.108; 22.252
90; 91.263; 90
774.8Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.
Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions
CrystEngComm, 2003, 5, 507
7216281 CIFC10 H5 Cl O3P 1 21/n 17.098; 8.58; 14.328
90; 97.913; 90
864.3Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.
Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions
CrystEngComm, 2003, 5, 507
7216282 CIFC10 H5 Cl O3P 1 21/n 17.984; 5.939; 18.452
90; 101.333; 90
857.9Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.
Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions
CrystEngComm, 2003, 5, 507
7216283 CIFC10 H5 Br O3P 1 21/c 18.122; 10.216; 10.709
90; 92.753; 90
887.5Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.
Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions
CrystEngComm, 2003, 5, 507

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