Crystallography Open Database

Result : There are 81 entries in the selection

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Searching journal of publication like 'Faraday Discuss.'

COD ID: 1518678
CIF file Formula: - C254 H317 Cd18 Cl8 Eu6 N18 O92 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A. Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications Faraday Discuss. (2014)
Space group: P -3
Cell volume: 55664
Cell parameters: 51.305; 51.305; 24.419; 90; 90; 120;  

COD ID: 1518679
CIF file Formula: - C254 H317 Cd18 Cl8 N18 O92 Tb6 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A. Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications Faraday Discuss. (2014)
Space group: P -3
Cell volume: 55122
Cell parameters: 51.114; 51.114; 24.362; 90; 90; 120;  

COD ID: 1520531
CIF file Formula: - C13 H8 Br Mn N2 O5 -
Comments: Walsh, James J.; Smith, Charlotte L.; Neri, Gaia; Whitehead, George F. S.; Robertson, Craig M.; Cowan, Alexander J. FDCDU15 - Carbon Dioxide Utilisation: Improving the efficiency of electrochemical CO2 reduction using immobilized manganese complexes Faraday Discuss. (2015)
Space group: P 1 21/c 1
Cell volume: 1388.33
Cell parameters: 15.1341; 13.1528; 7.0537; 90; 98.591; 90;  

COD ID: 1520532
CIF file Formula: - C23 H26 Br Mn N2 O10 -
Comments: Walsh, James J.; Smith, Charlotte L.; Neri, Gaia; Whitehead, George F. S.; Robertson, Craig M.; Cowan, Alexander J. FDCDU15 - Carbon Dioxide Utilisation: Improving the efficiency of electrochemical CO2 reduction using immobilized manganese complexes Faraday Discuss. (2015)
Space group: P -1
Cell volume: 1317.59
Cell parameters: 6.52291; 13.1864; 16.0537; 102.912; 95.846; 98.607;  

COD ID: 1544324
CIF file Formula: - C29 H34 Co N4 O2 P -
Comments: Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss. (2016)
Space group: P -1
Cell volume: 1334.71
Cell parameters: 9.0606; 9.2632; 18.0169; 95.238; 99.314; 114.659;  

COD ID: 1544325
CIF file Formula: - C24 H32 Co N4 O2 P -
Comments: Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss. (2016)
Space group: P b c a
Cell volume: 4849.96
Cell parameters: 15.072; 17.0259; 18.8998; 90; 90; 90;  

COD ID: 1544326
CIF file Formula: - C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -
Comments: Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss. (2016)
Space group: P 1 n 1
Cell volume: 5718.15
Cell parameters: 17.6742; 13.931; 24.3295; 90; 107.34; 90;  

COD ID: 1544518
CIF file Formula: - C11 H17.91 Cl Cu N7 O6 -
Comments: Queyriaux, Nicolas; Andreiadis, Eugen; Torelli, Stephane; Pecaut, Jacques; Veldkamp, Brad S.; Margulies, Eric A.; Wasielewski, Michael R.; Chavarot-Kerlidou, Murielle; Artero, Vincent CuAAC-based assembly and characterization of a ruthenium-copper dyad containing a diimine dioxime ligand framework Faraday Discuss. (2016)
Space group: P 21 21 21
Cell volume: 1667.05
Cell parameters: 6.9919; 11.5174; 20.7014; 90; 90; 90;  

COD ID: 1544708
CIF file Formula: - C35 H28 Cl Ir N6 -
Comments: Manbeck, Gerald; Garg, Komal; Shimoda, Tomoe; Szalda, David S.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko Hydricity, electrochemistry, and excited-state chemistry of Ir complexes for CO2 reduction Faraday Discuss. (2016)
Space group: P 1 21/n 1
Cell volume: 2999.7
Cell parameters: 10.1258; 23.8593; 12.4713; 90; 95.388; 90;  

COD ID: 1544711
CIF file Formula: - C29 H25 Cl F6 Fe N5 P -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: P b c m
Cell volume: 3203.5
Cell parameters: 8.9422; 17.1851; 20.8463; 90; 90; 90;  

COD ID: 1544712
CIF file Formula: - C29 H25 Cl F6 N5 P Ru -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: P b c m
Cell volume: 3235.6
Cell parameters: 8.9368; 17.315; 20.91; 90; 90; 90;  

COD ID: 1544713
CIF file Formula: - C29 H25 Cl F6 N5 Os P -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: P b c m
Cell volume: 3265.9
Cell parameters: 8.978; 17.366; 20.947; 90; 90; 90;  

COD ID: 1544714
CIF file Formula: - C29 H33 F12 Fe N5 O4 P2 -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: P -1
Cell volume: 1677.9
Cell parameters: 11.6708; 12.9661; 13.4037; 72.888; 65.578; 66.936;  

COD ID: 1544715
CIF file Formula: - C29 H27 N7 O7 Ru -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: C 1 2/c 1
Cell volume: 2749.7
Cell parameters: 21.36; 11.5; 13.126; 90; 121.481; 90;  

COD ID: 1545269
CIF file Formula: - C12 H5 Cu2 N9 -
Comments: Zhao, Nian; Li, Ping; Mu, Xin; Liu, Chuanfang; Sun, Fuxing; Zhu, Guangshan Facile synthesis of an ultra-stable metal-organic framework with excellent acid and base resistance Faraday Discuss. (2017)
Space group: I 41 2 2
Cell volume: 1901
Cell parameters: 9.281; 9.281; 22.07; 90; 90; 90;  

COD ID: 1545312
CIF file Formula: - C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -
Comments: Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R. Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes Faraday Discuss. (2017)
Space group: P a -3
Cell volume: 18141.3
Cell parameters: 26.2758; 26.2758; 26.2758; 90; 90; 90;  

COD ID: 1545544
CIF file Formula: - C12 H10 N6 O7 Pb -
Comments: Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 1597.79
Cell parameters: 7.9846; 17.4996; 11.4514; 90; 93.064; 90;  

COD ID: 1545545
CIF file Formula: - C16 H15 N6 O2 Pb S2 -
Comments: Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss. (2017)
Space group: P 1 21/c 1
Cell volume: 1988
Cell parameters: 12.964; 8.401; 18.917; 90; 105.216; 90;  

COD ID: 1545546
CIF file Formula: - C12 H10 Cl2 N4 O Pb -
Comments: Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss. (2017)
Space group: P b c a
Cell volume: 2881.6
Cell parameters: 14.0154; 12.5288; 16.4104; 90; 90; 90;  

COD ID: 1545584
CIF file Formula: - C27 H29 Co2 N7 O -
Comments: Desai, Sai Puneet; Malonzo, Camille; Webber, Thomas; Duan, Jiaxin; Thompson, Anthony B.; Tereniak, Stephen J.; DeStefano, Matthew R.; Buru, Cassandra T.; Li, Zhanyong; Penn, R. Lee; Farha, Omar; Hupp, J. T.; Stein, Andreas; Lu, Connie Assembly of Dicobalt and Cobalt-Aluminum Oxide Clusters on Metal-Organic Framework and Nanocast Silica Supports Faraday Discuss. (2017)
Space group: P 21 21 21
Cell volume: 2525.8
Cell parameters: 10.717; 15.289; 15.415; 90; 90; 90;  

COD ID: 1545593
CIF file Formula: - C11 H12 In N O7 -
Comments: Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J. In-MOFs based on amide functionalised flexible linkers Faraday Discuss. (2017)
Space group: P 1 21/c 1
Cell volume: 1407.62
Cell parameters: 8.0483; 7.2282; 24.2472; 90; 93.708; 90;  

COD ID: 1545594
CIF file Formula: - C12 H11 In N2 O7 -
Comments: Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J. In-MOFs based on amide functionalised flexible linkers Faraday Discuss. (2017)
Space group: P -1
Cell volume: 835.84
Cell parameters: 7.2372; 10.1596; 11.8645; 77.815; 78.748; 85.773;  

COD ID: 1545679
CIF file Formula: - C16 H13 Cl N3 O4 Re -
Comments: Chabolla, S. A.; Machan, C. W.; Yin, J.; Dellamary, E. A.; Sahu, S.; Gianneschi, N. C.; Gilson, M. K.; Tezcan, F. A.; Kubiak, C. P. Bio-inspired CO2 reduction by a rhenium tricarbonyl bipyridine-based catalyst appended to amino acids and peptidic platforms: incorporating proton relays and hydrogen-bonding functional groups Faraday Discuss. (2017)
Space group: P 1 21/c 1
Cell volume: 1781.3
Cell parameters: 11.1768; 17.5414; 9.0952; 90; 92.607; 90;  

COD ID: 1545705
CIF file Formula: - C9 H8 B F3 N2 O Te -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P -1
Cell volume: 570.3
Cell parameters: 6.7368; 8.2186; 11.478; 109.16; 92.23; 106.25;  

COD ID: 1545706
CIF file Formula: - C25 H20 B F3 N O P Te -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 21/c 1
Cell volume: 2711.4
Cell parameters: 10.117; 13.3307; 20.4052; 90; 99.848; 90;  

COD ID: 1545707
CIF file Formula: - C15 H13 B F3 N2 O Te -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: C 1 2/c 1
Cell volume: 3145.4
Cell parameters: 24.5091; 6.9948; 21.1123; 90; 119.654; 90;  

COD ID: 1545708
CIF file Formula: - C10 H9 B F3 N O Te -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 1135
Cell parameters: 8.027; 7.1053; 19.994; 90; 95.552; 90;  

COD ID: 1545709
CIF file Formula: - C34 H41 B F3 N3 O Te -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 3454.2
Cell parameters: 10.7711; 16.584; 19.77; 90; 102.005; 90;  

COD ID: 1545710
CIF file Formula: - C28 H24 B N O Te -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 21/c 1
Cell volume: 2272.1
Cell parameters: 10.109; 9.698; 23.678; 90; 101.817; 90;  

COD ID: 1545711
CIF file Formula: - C88 H108 B2 F6 N6 O3 Te2 -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 n 1
Cell volume: 4213.2
Cell parameters: 12.2007; 20.9116; 17.3413; 90; 107.773; 90;  

COD ID: 1545712
CIF file Formula: - C18 H20 B Cl3 F3 N3 O Te -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 21 1
Cell volume: 2289.37
Cell parameters: 10.2886; 15.0565; 14.7817; 90; 91.156; 90;  

COD ID: 1545713
CIF file Formula: - C20 H18 B F3 N2 O2 Te2 -
Comments: Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases Faraday Discuss. (2017)
Space group: P 1 21 1
Cell volume: 1084.9
Cell parameters: 7.2898; 13.3035; 11.561; 90; 104.61; 90;  

COD ID: 1545740
CIF file Formula: - C40 H43 F8 I3 N8 -
Comments: Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters Faraday Discuss. (2017)
Space group: P 1 21 1
Cell volume: 2168.3
Cell parameters: 10.406; 7.8092; 26.717; 90; 92.9; 90;  

COD ID: 1545741
CIF file Formula: - C64 H89 F8 I3 N6 O2 -
Comments: Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters Faraday Discuss. (2017)
Space group: P -1
Cell volume: 6694.6
Cell parameters: 14.9747; 18.898; 25.034; 87.618; 76.317; 76.576;  

COD ID: 1545783
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 758.37
Cell parameters: 7.2271; 8.948; 12.1887; 90; 105.819; 90;  

COD ID: 1545784
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 753.25
Cell parameters: 7.2738; 9.0627; 11.7233; 90; 102.916; 90;  

COD ID: 1545785
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 755.06
Cell parameters: 7.2577; 9.0397; 11.8561; 90; 103.904; 90;  

COD ID: 1545786
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 759.07
Cell parameters: 7.256; 9.0227; 11.9855; 90; 104.676; 90;  

COD ID: 1545787
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P -1
Cell volume: 374.97
Cell parameters: 3.8949; 8.2939; 11.8408; 89.014; 89.991; 78.651;  

COD ID: 1545788
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 761.71
Cell parameters: 7.2385; 8.9976; 12.1313; 90; 105.406; 90;  

COD ID: 1545789
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P -1
Cell volume: 378.91
Cell parameters: 3.9007; 8.307; 11.9258; 88.909; 89.987; 78.731;  

COD ID: 1545790
CIF file Formula: - C7 H4 Br Cl O2 -
Comments: Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 759.26
Cell parameters: 7.2399; 9.0087; 12.0539; 90; 105.036; 90;  

COD ID: 1545791
CIF file Formula: - C16 H36 Cl0.07 I4.93 N -
Comments: Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes Faraday Discuss. (2017)
Space group: P 1 21/c 1
Cell volume: 5227.3
Cell parameters: 19.948; 28.361; 9.3012; 90; 96.59; 90;  

COD ID: 1545792
CIF file Formula: - C16 H36 I3 N -
Comments: Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes Faraday Discuss. (2017)
Space group: P -1
Cell volume: 2190.3
Cell parameters: 9.463; 15.553; 15.805; 83.658; 74.285; 78.5;  

COD ID: 1545988
CIF file Formula: - C39 H50 Au F8 I2 K N4 O12.5 -
Comments: Christopherson, Jan-Constantin; Potts, Karlie P.; Bushuyev, Oleksandr S.; Topić, Filip; Huskic, Igor; Rissanen, Kari; Barrett, Christopher J.; Friščić, Tomislav Assembly and dichroism of a four-component halogen-bonded metal-organic cocrystal salt solvate involving dicyanoaurate(I) acceptors Faraday Discuss. (2017)
Space group: P -1
Cell volume: 2482.2
Cell parameters: 9.048; 15.1904; 19.1737; 73.9435; 78.7765; 88.9763;  

COD ID: 1546049
CIF file Formula: - C9 H12 Cl N O3 -
Comments: Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss. (2017)
Space group: P 1 21 1
Cell volume: 1044.56
Cell parameters: 13.5539; 5.4096; 15.0157; 90; 108.421; 90;  

COD ID: 1546050
CIF file Formula: - C9 H11 F2 N O3 -
Comments: Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss. (2017)
Space group: P 1 21 1
Cell volume: 1002.9
Cell parameters: 13.1; 5.4019; 14.423; 90; 100.712; 90;  

COD ID: 1546051
CIF file Formula: - C9 H12 Br N O3 -
Comments: Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss. (2017)
Space group: P 1 21 1
Cell volume: 527.05
Cell parameters: 6.3036; 5.3042; 15.9161; 90; 97.947; 90;  

COD ID: 1546052
CIF file Formula: - C9 H12 F N O3 -
Comments: Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss. (2017)
Space group: P 1 21 1
Cell volume: 988.02
Cell parameters: 13.3028; 5.4628; 14.0151; 90; 104.048; 90;  

COD ID: 1546053
CIF file Formula: - C9 H12 I N O3 -
Comments: Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O. FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties Faraday Discuss. (2017)
Space group: P 21 21 21
Cell volume: 1098.73
Cell parameters: 5.3139; 6.3152; 32.741; 90; 90; 90;  

COD ID: 1546054
CIF file Formula: - C20 H36 Br2 I6 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 1888.4
Cell parameters: 9.2035; 11.3936; 18.5083; 90; 103.339; 90;  

COD ID: 1546055
CIF file Formula: - C36 H36 Cl2 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P 4 n c
Cell volume: 1680
Cell parameters: 13.906; 13.906; 8.6877; 90; 90; 90;  

COD ID: 1546056
CIF file Formula: - C36 H36 Br2 I2 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P -1
Cell volume: 954.7
Cell parameters: 9.563; 10.473; 10.744; 67.46; 79.07; 74.903;  

COD ID: 1546057
CIF file Formula: - C36 H36 Br4 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P -1
Cell volume: 1856.1
Cell parameters: 9.789; 11.319; 17.303; 89.362; 76.377; 85.007;  

COD ID: 1546058
CIF file Formula: - C20 H36 Br6 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P 42/m n m
Cell volume: 1752.1
Cell parameters: 11.3121; 11.3121; 13.6918; 90; 90; 90;  

COD ID: 1546059
CIF file Formula: - C36 H36 I4 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P -1
Cell volume: 976.42
Cell parameters: 9.616; 10.4083; 11.1012; 68.06; 78.128; 72.29;  

COD ID: 1546060
CIF file Formula: - C36 H36 Cl2.17 I3.83 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P -1
Cell volume: 1046.89
Cell parameters: 7.918; 10.314; 13.411; 92.609; 100.426; 102.641;  

COD ID: 1546061
CIF file Formula: - C36 H36 Cl2 I2 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P -1
Cell volume: 946.8
Cell parameters: 9.5548; 10.4967; 10.5869; 67.342; 80.018; 75.957;  

COD ID: 1546062
CIF file Formula: - C36 H36 Br2 Cl2 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P -1
Cell volume: 953.31
Cell parameters: 9.567; 10.4897; 10.691; 67.358; 79.414; 75.292;  

COD ID: 1546063
CIF file Formula: - C36 H38 Br2 N4 O Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: C 1 2/c 1
Cell volume: 3517.8
Cell parameters: 16.5219; 13.6105; 17.4958; 90; 116.603; 90;  

COD ID: 1546064
CIF file Formula: - C20 H36 I8 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 1945.2
Cell parameters: 10.8205; 10.0771; 18.3892; 90; 104.044; 90;  

COD ID: 1546065
CIF file Formula: - C20 H36 Br2 N4 Ru -
Comments: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity Faraday Discuss. (2017)
Space group: C 1 2/c 1
Cell volume: 2701.1
Cell parameters: 16.6612; 9.776; 18.368; 90; 115.466; 90;  

COD ID: 1546564
CIF file Formula: - C12 H11 N5 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: C 1 2/c 1
Cell volume: 2121.2
Cell parameters: 21.5686; 5.8077; 18.0356; 90; 110.13; 90;  

COD ID: 1546565
CIF file Formula: - C30 H22 F4 I2 N10 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 5946.6
Cell parameters: 17.386; 19.378; 19.435; 92.996; 106.71; 106.56;  

COD ID: 1546566
CIF file Formula: - C18 H21 N5 O4 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 1824.7
Cell parameters: 17.295; 4.8014; 21.977; 90; 90.912; 90;  

COD ID: 1546567
CIF file Formula: - C12 H11 N5 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 542.1
Cell parameters: 5.493; 10.339; 10.611; 112.83; 99.24; 94.16;  

COD ID: 1546568
CIF file Formula: - C19 H17 N5 O2 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 838.84
Cell parameters: 6.4269; 9.9656; 13.5194; 96.691; 95.686; 100.603;  

COD ID: 1546569
CIF file Formula: - C16 H17 N5 O4 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 783.3
Cell parameters: 5.0716; 11.314; 14.051; 90.818; 99.19; 99.925;  

COD ID: 1546570
CIF file Formula: - C15 H11 F2 I N5 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 771
Cell parameters: 5.0691; 8.055; 19.75; 93.952; 93.442; 105.938;  

COD ID: 1546571
CIF file Formula: - C20 H25 N5 O4 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 967.21
Cell parameters: 5.1948; 10.8967; 18.2317; 105.579; 95.607; 100.104;  

COD ID: 1546572
CIF file Formula: - C18 H11 F3 I3 N5 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P 1 21/c 1
Cell volume: 2068.3
Cell parameters: 16.0707; 9.0666; 14.861; 90; 107.218; 90;  

COD ID: 1546573
CIF file Formula: - C19 H17 N5 O2 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 860.9
Cell parameters: 7.028; 9.024; 13.602; 90.229; 91.564; 93.223;  

COD ID: 1546574
CIF file Formula: - C12 H11 N5 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P 1 21/n 1
Cell volume: 1110.2
Cell parameters: 7.49; 9.841; 15.253; 90; 99.072; 90;  

COD ID: 1546575
CIF file Formula: - C18 H22 N5 O2 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 897.53
Cell parameters: 5.2936; 7.9437; 22.8847; 81.583; 85.5; 70.615;  

COD ID: 1546576
CIF file Formula: - C30 H32 N10 O4 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 1427.7
Cell parameters: 8.0078; 10.167; 18.969; 79.276; 82.529; 70.64;  

COD ID: 1546577
CIF file Formula: - C15 H11 F2 I N5 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 763.3
Cell parameters: 5.4649; 11.66; 12.493; 84.163; 80.913; 76.728;  

COD ID: 1546578
CIF file Formula: - C34 H40 N10 O4 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 788.5
Cell parameters: 5.7402; 9.3514; 14.973; 97.467; 91.771; 97.861;  

COD ID: 1546579
CIF file Formula: - C31 H26 F4 I2 N10 O -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 3249.9
Cell parameters: 13.4945; 14.8017; 19.3714; 111.285; 92.518; 112.668;  

COD ID: 1546580
CIF file Formula: - C16 H17 N5 O4 -
Comments: Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B. Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles Faraday Discuss. (2017)
Space group: P -1
Cell volume: 777.5
Cell parameters: 4.8081; 11.021; 14.819; 97.881; 91.543; 90.181;  

COD ID: 1546736
CIF file Formula: - C13 H11 Br N2 O3 S -
Comments: Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc Toward a reverse hierarchy of halogen bonding between bromine and iodine Faraday Discuss. (2017)
Space group: P -1
Cell volume: 720.8
Cell parameters: 6.9455; 8.1993; 13.825; 97.886; 97.939; 109.479;  

COD ID: 1546737
CIF file Formula: - C14 H14 Br N3 O3 S -
Comments: Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc Toward a reverse hierarchy of halogen bonding between bromine and iodine Faraday Discuss. (2017)
Space group: P -1
Cell volume: 740.59
Cell parameters: 7.2107; 8.5679; 12.2391; 86.641; 79.084; 87.121;  


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