Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7204688 | CIF | C12 H13 Hg N S2 | P b c a | 11.1294; 8.9365; 25.7799 90; 90; 90 | 2564 | Sing 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 |
| 7204690 | CIF | C6 H30 N15 P3 | P 1 21/n 1 | 8.6181; 15.486; 13.996 90; 93.97; 90 | 1863.4 | Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4 CrystEngComm, 2003, 5, 245 |
| 7204691 | CIF | C16 H28 N11 O2 P3 | P 1 21/c 1 | 17.227; 31.187; 8.3154 90; 90.91; 90 | 4467 | Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4 CrystEngComm, 2003, 5, 245 |
| 7204692 | CIF | C22 H34 I6 N2 Pd2 | P -1 | 8.5038; 8.8887; 11.5366 93.953; 107.892; 92.848 | 825.57 | Neve, Francesco; Crispini, Alessandra N,N?-Dodecamethylene-bis(pyridinium) goes lamellar. Role of C?H?I, C?H?M, and I?I interactions in the crystal structure of its hexaiododipalladate(II) derivativeElectronic supplementary information (ESI) available: Figure S1, Table S1. See http://www.rsc.org/suppdata/ce/b3/b305804b/ CrystEngComm, 2003, 5, 265 |
| 7204697 | CIF | C40 H33 Fe Hg I4 N7 O | P b c a | 16.248; 19.603; 26.44 90; 90; 90 | 8421 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204698 | CIF | C39 H32 Fe Hg I4 N6 O2 | P -1 | 11.2; 13.028; 14.62 87.378; 75.441; 83.887 | 2052.6 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204699 | CIF | C39 H32 Fe Hg I4 N6 O2 | P -1 | 11.384; 12.659; 14.885 89.37; 73.79; 84.19 | 2048.9 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204700 | CIF | C42 H38 Fe Hg I4 N8 O2 | P -1 | 11.585; 12.543; 17.013 70.16; 76.87; 84.26 | 2264 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204701 | CIF | C39 H30 Fe Hg I4 N6 O | P 1 | 9.709; 9.885; 10.814 76.06; 83.63; 87.07 | 1000.8 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204702 | CIF | C36 H27 Fe Hg I4 N6 O1.5 | P 1 21/c 1 | 10.18; 17.079; 23.62 90; 97.22; 90 | 4074 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204703 | CIF | C42 H38 Fe Hg I4 N8 O2 | P 1 21/c 1 | 19.18; 19.465; 13.492 90; 109.44; 90 | 4750 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204704 | CIF | C38 H32 Fe Hg I4 N6 O2 S | P -1 | 11.442; 12.816; 14.937 82.22; 81.78; 82.97 | 2136 | Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2? CrystEngComm, 2003, 5, 285 |
| 7204705 | CIF | C18 H40 La2 O32 | P -3 | 10.3426; 10.3426; 8.9709 90; 90; 120 | 831 | Abrahams, 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 |
| 7204706 | CIF | C18 H40 Ce2 O32 | P -3 | 10.288; 10.288; 8.9427 90; 90; 120 | 819.7 | Abrahams, 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 |
| 7204707 | CIF | C18 H40 O32 Pr2 | P -3 | 10.2182; 10.2182; 8.9084 90; 90; 120 | 805.5 | Abrahams, 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 | CIF | C18 H40 Nd2 O32 | P -3 | 10.2151; 10.2151; 8.9021 90; 90; 120 | 804.5 | Abrahams, 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 | CIF | C18 H52 Nd2 O38 | P b c a | 10.8647; 19.681; 19.974 90; 90; 90 | 4271 | Abrahams, 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 | CIF | C18 H52 Eu2 O38 | P b c a | 10.761; 19.427; 19.681 90; 90; 90 | 4114 | Abrahams, 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 | CIF | C24 H18 Fe2 | P 1 21/c 1 | 11.049; 9.568; 8.767 90; 102.35; 90 | 905.4 | Maharaj, 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 | CIF | C55 H52 N2 O8 | P -1 | 13.1315; 14.2151; 14.6358 109.428; 112.98; 97.464 | 2263.3 | Nakamura, 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 | CIF | C62 H60 N2 O8 | P 1 21/n 1 | 17.4271; 13.5493; 21.605 90; 95.172; 90 | 5080.7 | Nakamura, 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 | CIF | C52 H56 N2 O9 | P -1 | 11.5406; 14.0385; 15.682 71.78; 75.01; 65.873 | 2177.2 | Nakamura, 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 | CIF | C63 H66 N4 O9 | P 1 21/c 1 | 20.7807; 16.339; 15.4817 90; 98.073; 90 | 5204.5 | Nakamura, 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 | CIF | C33 H34 N2 O4.5 | P b c n | 15.9821; 14.3963; 23.765 90; 90; 90 | 5467.9 | Nakamura, 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 | CIF | C65 H64 N4 O8 | P -1 | 11.7903; 14.9265; 15.6196 94.159; 92.529; 100.758 | 2688.8 | Nakamura, 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 | CIF | C62 H50 N3 O8 | P -1 | 10.3752; 12.2621; 20.1337 95.181; 103.948; 94.166 | 2463.9 | Nakamura, 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 | CIF | C42.75 H41.25 N2 O5.25 | P 1 21/m 1 | 11.1453; 24.728; 13.097 90; 102.415; 90 | 3525.1 | Nakamura, 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 | CIF | C6 H5 Cl2 N O | P m n b | 6.358; 8.744; 13.594 90; 90; 90 | 755.7 | Kalle 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 | CIF | C6 H5 Cl2 N O | P 1 21/n 1 | 7.2695; 4.9453; 20.2207 90; 95.99; 90 | 722.96 | Kalle 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 | CIF | C6 H5 Cl2 N O | P 1 21/n 1 | 7.223; 4.962; 20.324 90; 97.06; 90 | 722.9 | Kalle 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 | CIF | C5 H9 N O2 S2 | P 1 21/c 1 | 11.8327; 7.6628; 14.1769 90; 138.21; 90 | 856.62 | Wheeler, 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 | CIF | C6 H11 N O2 S2 | P 1 21/c 1 | 8.8922; 7.4758; 14.305 90; 99.742; 90 | 937.2 | Wheeler, 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 | CIF | C7 H13 N O2 S2 | P 1 21/c 1 | 13.198; 7.613; 11.927 90; 116.71; 90 | 1070.5 | Wheeler, 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 | CIF | C11 H13 N O2 S2 | P 1 21/c 1 | 14.046; 10.84; 8.852 90; 107.97; 90 | 1282 | Wheeler, 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 | CIF | C6 H7 Br2 N | P 1 21/c 1 | 7.9431; 13.2946; 7.6992 90; 104.125; 90 | 788.46 | Jones, Peter G.; Vancea, Fabiola Unexpected isostructurality by permutation of classical and ?weak? hydrogen bonds CrystEngComm, 2003, 5, 303 |
| 7204741 | CIF | C10 H10 Cl6 Co N2 | P -1 | 6.7526; 8.1793; 14.806 92.114; 93.148; 99.358 | 804.8 | Lee 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 | CIF | C10 H10 Br2 Cl4 Co N2 | P -1 | 6.8163; 8.9754; 13.7869 86.386; 85.454; 86.873 | 838.1 | Lee 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 | CIF | C10 H10 Cl4 Co I2 N2 | P 1 21/c 1 | 6.983; 16.1749; 15.7849 90; 96.306; 90 | 1772.1 | Lee 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 |
| 7204752 | CIF | C31 H33 B N2 O | P -1 | 10.771; 11.201; 11.612 96.211; 111.392; 94.957 | 1284.7 | Holbrey, John D.; Turner, Megan B.; Reichert, W. Matthew; Rogers, Robin D. New ionic liquids containing an appended hydroxyl functionality from the atom-efficient, one-pot reaction of 1-methylimidazole and acid with propylene oxide Green Chemistry, 2003, 5, 731 |
| 7204892 | CIF | C60 H42 Cu N6 Ni2 S20 | P -1 | 12.7989; 13.3927; 11.2746 94.064; 96.445; 61.588 | 1688.74 | Sakai, Ken-ichi; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi The d-L(?)-? type of charge-transfer salt [Cu(Me-tri)2][Ni(dmit)2]2: Interaction between copper(ii) d- and Ni(dmit)2 ?-electrons via�?-conjugated macrocyclic ligandsElectronic supplementary information (ESI) available: crystallographic data in cif format. See http://www.rsc.org/suppdata/cp/b2/b212555b/ Physical Chemistry Chemical Physics, 2003, 5, 2469 |
| 7204894 | CIF | C8 H12 Hg2 O4 S8 | P b c a | 10.605; 8.003; 23.478 90; 90; 90 | 1992.6 | Tiekink, 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 | CIF | C18 H36 Hg N2 S4 | C 1 2/c 1 | 26.27; 13.654; 13.863 90; 96.64; 90 | 4939 | Tiekink, 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 | CIF | C10 H15 Hg P S2 | P 1 21/c 1 | 6.238; 20.162; 11.281 90; 104.63; 90 | 1372.8 | Sing 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 | CIF | C6 H12 Hg N2 S4 | C 1 2/c 1 | 17.308; 7.558; 9.978 90; 113.24; 90 | 1199.4 | Tiekink, 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 | CIF | C20 H40 N4 S8 Zn2 | P 1 21/n 1 | 9.814; 10.667; 15.655 90; 104.06; 90 | 1589.8 | Tiekink, 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 | CIF | C10 H20 Cd N2 S4 | P 1 21/c 1 | 9.8208; 10.7609; 15.9952 90; 103.581; 90 | 1643.12 | Tiekink, 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 | CIF | C19 H12 N4 O6 | P 1 21/n 1 | 11.741; 12.828; 12.047 90; 108.46; 90 | 1721.1 | Thallapally, 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 | CIF | C18 H11 N5 O6 | P 1 21/n 1 | 10.962; 13.48; 12.092 90; 108.89; 90 | 1690.6 | Thallapally, 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 | CIF | C24 H15 N6 O6 | P -1 | 7.0781; 9.7139; 15.787 86.83; 88.33; 83.08 | 1075.6 | Thallapally, 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 | CIF | C39 H30 Cl2 Cr N6 O2 S14 | P -1 | 13.977; 18.93; 10.148 105.71; 106.23; 82.19 | 2476 | Sayaduzzaman, 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 |
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