Crystallography Open Database

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1541965 CIFAl2 H4 O9 Si2C 15.14; 8.93; 7.37
91.8; 104.5; 90
327.337Drits, V.A.; Kashaev, A.A.
An x-ray study of a single crystal of kaolinite
Kristallografiya, 1960, 5, 224-227
1542076 CIFFe0.25 H0.5 Na2 O11 Si4 Ti0.75I 4/m10.72; 10.72; 7.99
90; 90; 90
918.198Pyatenko, Yu.A.; Pudovkina, Z.V.
Crystal structure of narsarsukite
Kristallografiya, 1960, 5, 563-573
1542104 CIFAl2 Ba O8 Si2P 1 21/a 19.08; 9.58; 8.58
90; 90; 90
746.343Bakakin, V.V.; Belov, N.V.
Crystal structure of paracelsian
Kristallografiya, 1960, 5, 864-868
1542165 CIFCo H8 N2 O10P -15.516; 5.996; 7.228
102.38; 97.74; 120.16
193.395Ribar, B.; Herak, R.; Prelesnik, B.; Krstanovic, I.; Milinski, N.
Crystal Structure of Cobalt Nitrate Tetrahydrate, Co (N O3)2 (H2 O)
Univerzitet (Novi Sad), Prirodno-Matematicki Fakultet: Zbornik radova Prirodno-Matematickog Fakulteta.Ser. za biologijudat, 1975, 5, 65-82
1544685 CIFAg2 SP 1 21/c 14.231; 6.93; 9.526
90; 125.5; 90
227.391Sadanaga, R.; Sueno, S.
X-ray study of the alpha-beta transition of Ag2S
Mineralogical Journal, 1967, 5, 124-148
1545752 CIFC4 H14 F2 Ga3 N2 O12 P3P b c a10.075; 18.506; 16.06
90; 90; 90
2994.4Thierry Loiseau; Francis Taulelle; Gerard Ferey
Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization
Microporous Materials, 1996, 5, 365-379
1545753 CIFC5 H16 F2 Ga3 N2 O12 P3P b c a10.156; 18.672; 16.367
90; 90; 90
3104Thierry Loiseau; Francis Taulelle; Gerard Ferey
Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization
Microporous Materials, 1996, 5, 365-379
1547205 CIFC15 H22 Cl N O5P -17.5342; 9.1935; 12.8532
97.624; 93.34; 108.945
829.73Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe
Synthesis and Crystal Structure of 1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate)
Chemistry Central Journal20115:23, 2011, 5, 23
1547213 CIFC16 H20 N12 O12P b c a12.7424; 17.4112; 21.0833
90; 90; 90
4677.6Gustavo Portalone
Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil
Chemistry Central Journal, 2011, 5, 51
1547214 CIFC8 H11 F N6 O7C 1 c 110.2066; 28.2758; 4.7187
90; 111.293; 90
1268.85Gustavo Portalone
Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil
Chemistry Central Journal, 2011, 5, 51
1547255 CIFC10 H14 O5P 21 21 218.106; 10.241; 12.952
90; 90; 90
1075.19Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.
A Cobalt Complex of a Microbial Arene Oxidation Product
Chemistry Central Journal, 2011, 5, 80
1547256 CIFC16 H19 Co O4P 21 21 217.305; 8.665; 23.568
90; 90; 90
1491.8Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.
A Cobalt Complex of a Microbial Arene Oxidation Product
Chemistry Central Journal, 2011, 5, 80
1547473 CIFC37 H51 N3 O4 RuP 1 21/n 116.0174; 10.8674; 20.309
90; 104.291; 90
3425.7Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.
Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands
Chemical Science, 2014, 5, 4091-4098
1547474 CIFC37 H49 N3 O4 RuP -110.8243; 11.4812; 15.4419
74.516; 85.839; 64.889
1672.8Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.
Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands
Chemical Science, 2014, 5, 4091-4098
1547475 CIFC37 H49 N3 O4 RuP -110.8191; 11.4795; 15.4551
74.51; 85.583; 64.732
1671.3Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.
Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands
Chemical Science, 2014, 5, 4091-4098
1547476 CIFC35 H47 N3 O4 RuP 1 21/n 110.5222; 19.595; 15.8493
90; 99.34; 90
3224.5Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.
Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands
Chemical Science, 2014, 5, 4091-4098
1547477 CIFC41 H61 N3 O5 RuP -110.5807; 11.4363; 18.2848
77.754; 78.1; 63.815
1924.23Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.
Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands
Chemical Science, 2014, 5, 4091-4098
1547478 CIFC9 H18 Fe2 N5 O3 S2P b c a14.24; 14.263; 14.821
90; 90; 90
3010Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y.
Redox active iron nitrosyl units in proton reduction electrocatalysis
Nature Communications, 2014, 5, 3684
1547481 CIFC68 H55 Ca F9 Mn3 N6 O20 S3P 1 21/c 113.5027; 19.1805; 27.433
90; 91.337; 90
7102.9Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1547482 CIFC64 H45 Ca F9 Mn3 N6 O21 S3P -114.7053; 14.7735; 18.5085
69.988; 72.802; 69.91
3475.2Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1547483 CIFC76 H65 Ca F6 Mn3 N6 O19 S2P 1 21/c 111.679; 27.0308; 25.7452
90; 93.682; 90
8110.8Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1547484 CIFC75 H57 Cl2 F9 Mn3 N6 O20 S3 SrP 1 21/n 116.0744; 26.0588; 20.2364
90; 105.055; 90
8185.7Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1547485 CIFC76 H65 F6 Mn3 N6 O19 S2 SrP 1 21/c 111.7071; 27.1019; 25.4494
90; 93.564; 90
8059.1Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1547486 CIFC67.4 H47.11 F9 Mn3 N7.7 O18 S3 ZnP -114.3484; 14.3923; 18.5632
72.643; 73.273; 70.956
3380.7Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1547487 CIFC126 H90 F12 Mn6 N12 Na2 O31.74 S4P -113.5641; 15.0073; 16.813
102.848; 109.783; 93.581
3104.3Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1547488 CIFC72 H65 F9 Mn3 N6 O21 S3 YP 1 21/c 114.7253; 25.28; 23.717
90; 102.212; 90
8629Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor
Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters
Nature Chemistry, 2013, 5, 293-299
1548112 CIF
Paper
C8 H8 Cd Cl2 N4 O2P 1 21/c 13.7833; 7.6139; 20.1473
90; 92.131; 90
579.96Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548113 CIFC8 H8 Br2 Cd N4 O2P 1 21/c 13.9043; 7.718; 20.6142
90; 92.442; 90
620.61Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548114 CIFC8 H8 Cd I2 N4 O2P 1 21/c 14.1497; 7.8783; 21.0091
90; 92.551; 90
686.16Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548115 CIFC8 H8 Br2 Cd N4 O2P 1 21/n 13.884; 23.164; 7.0359
90; 93.712; 90
631.68Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548116 CIFC8 H8 Cd I2 N4 O2P 1 21/c 14.0953; 7.8089; 21.7078
90; 92.307; 90
693.65Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548117 CIFC16 H12 Br2 Cd N4 O2I 1 2/a 118.259; 3.867; 24.2737
90; 95.491; 90
1706.04Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548118 CIFC16 H12 Cd I2 N4 O2I 1 2/a 119.7099; 6.8535; 13.631
90; 98.052; 90
1823.15Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548296 CIFC12 H24 B2 O4P 1 21/a 110.165; 7.482; 10.278
90; 110.446; 90
732.4Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
Nature Communications, 2014, 5, 4245
1548297 CIFC24 H34 B2 O2P 1 21/c 19.859; 18.123; 13.451
90; 110.728; 90
2247.8Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
Nature Communications, 2014, 5, 4245
1548298 CIFC26 H34 B2 O4P 1 21/n 115.238; 10.705; 16.004
90; 107.762; 90
2486.2Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
Nature Communications, 2014, 5, 4245
1548299 CIFC29 H43 B2 N O2P -19.278; 10.2; 16.057
71.907; 83.574; 68.113
1340.3Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
Nature Communications, 2014, 5, 4245
1548300 CIFC34 H52 B2 N2 O2P 1 21/c 112.796; 18.047; 15.325
90; 110.858; 90
3307.1Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
Nature Communications, 2014, 5, 4245
1548301 CIFC34 H52 B2 N2 O2P 1 21/n 113.923; 15.76; 15.026
90; 92.731; 90
3293Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
Nature Communications, 2014, 5, 4245
1548310 CIFC8 H8 Cu F6 N4 SiP 4/m m m6.9186; 6.9186; 7.9061
90; 90; 90
378.44Shekhah, Osama; Belmabkhout, Youssef; Chen, Zhijie; Guillerm, Vincent; Cairns, Amy; Adil, Karim; Eddaoudi, Mohamed
Made-to-order metal-organic frameworks for trace carbon dioxide removal and air capture
Nature Communications, 2014, 5, 4228
1548311 CIFC9 H56 K Mo10 N O42 S10P 63/m23.7146; 23.7146; 19.1834
90; 90; 120
9343Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
Nature Communications, 2014, 5, 3715
1548312 CIFC26 H32 K10 Mo14 O80 S2P 1 21 111.2207; 22.4613; 16.9237
90; 105.662; 90
4106.9Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
Nature Communications, 2014, 5, 3715
1548313 CIFC56 H236 K18 Mo60 N4 O261 S36P 1 21/m 120.8518; 28.0652; 32.415
90; 104.793; 90
18340.8Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
Nature Communications, 2014, 5, 3715
1548314 CIFC36 H246 I K11.5 Mo48 N3 Na0.5 O220 S36P 1 21/n 126.0429; 29.3416; 47.0393
90; 90.04; 90
35944.6Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
Nature Communications, 2014, 5, 3715
1548315 CIFC20 H126 K14 Mo34 O148 S24P b c m26.515; 44.264; 17.7362
90; 90; 90
20816Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
Nature Communications, 2014, 5, 3715
1548316 CIFC61 H141 K8 Mo18 N7 O99 S18P 1 2/c 130.5759; 17.0735; 38.4463
90; 113.034; 90
18470.3Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
Nature Communications, 2014, 5, 3715
1548319 CIFC32.33 H61.67 Cl2 Mo N2 O2.33 P2R -3 :H36.2479; 36.2479; 17.0202
90; 90; 120
19366.9Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi
Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia
Nature Communications, 2014, 5, 3737
1548320 CIFC24 H44.33 Cl Mo N2 P2P 61 2 216.3159; 16.3159; 19.6989
90; 90; 120
4541.5Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi
Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia
Nature Communications, 2014, 5, 3737
1548321 CIFC24 H43 Cl F3 Mo N2 O3 P2 SC 1 2/c 133.3044; 15.2043; 13.0074
90; 109.784; 90
6197.8Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi
Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia
Nature Communications, 2014, 5, 3737
1548322 CIFC33 H57 Cl F3 Mo N3 O4 P2 SP 1 21/c 116.4904; 16.7621; 16.772
90; 119.077; 90
4051.71Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi
Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia
Nature Communications, 2014, 5, 3737
1548471 CIFBa3 Br Fe S4P n m a12.343; 9.5901; 8.4468
90; 90; 90
999.85Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang
Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange
Scientific Reports, 2015, 5, 15910
1548472 CIFBa3 Br Fe S4P n m a12.3636; 9.5974; 8.4596
90; 90; 90
1003.8Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang
Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange
Scientific Reports, 2015, 5, 15910
1548473 CIFBa3 Br Fe S4P n m a12.4081; 9.6132; 8.4859
90; 90; 90
1012.21Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang
Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange
Scientific Reports, 2015, 5, 15910
1548523 CIFC4 H12 Al3 F N O12.5 P3P -19.199; 9.202; 9.295
87.525; 79.027; 87.884
771.4Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan
Origin of the structure-directing effect resulting in identical topological open-framework materials
Scientific Reports, 2015, 5, 14940
1548524 CIFC3 H12 Al3 F N O13 P3P -19.1231; 9.2411; 9.3426
86.769; 79.946; 87.846
774Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan
Origin of the structure-directing effect resulting in identical topological open-framework materials
Scientific Reports, 2015, 5, 14940
1548525 CIFC5 H12.5 Al3 F N O12.25 P3P -19.18; 9.1957; 9.3606
86.532; 78.192; 87.739
771.76Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan
Origin of the structure-directing effect resulting in identical topological open-framework materials
Scientific Reports, 2015, 5, 14940
1548908 CIF
Paper
Al O4 PR -3 :R9.609; 9.609; 9.609
94.46; 94.46; 94.46
878.7Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter
Electron crystallography with the EIGER detector
IUCrJ, 2018, 5, 190-199
1549161 CIF
Paper
C20 H24 N2 O10 Zn2P n n m7.4159; 19.318; 7.3457
90; 90; 90
1052.3Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549162 CIFC17 H18 N2 O5 ZnP 1 21/c 18.2852; 10.4999; 21.684
90; 117.282; 90
1676.5Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549163 CIFC17 H17 N2 O4.25 ZnP n n a8.3; 10.4; 19.74
90; 90; 90
1704Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549164 CIFC22 H24 N2 O8 ZnC 1 2/c 118.0211; 5.8795; 21.7192
90; 113.89; 90
2104.1Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549165 CIFC17 H20 N2 O5 ZnP 1 21/c 18.4434; 10.3811; 21.551
90; 115.928; 90
1698.8Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549166 CIFC22 H24 N3 O5 ZnP 1 21/c 111.1832; 8.2422; 23.832
90; 99.143; 90
2168.8Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549167 CIFC34 H50 N4 O14 ZnC 1 2/c 122.6008; 11.4154; 17.1552
90; 120.308; 90
3821.1Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549168 CIFC22 H22.5 N2.5 O4 ZnC m c m9.8266; 22.0654; 22.1641
90; 90; 90
4805.8Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549169 CIFC22 H22.5 N2.5 O4 ZnP b c n9.845; 22.082; 21.905
90; 90; 90
4762Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549170 CIFC38 H48 N4 O12 ZnC 1 2/m 122.881; 6.8976; 14.1573
90; 117.532; 90
1981.3Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549171 CIFC38 H48 N4 O12 ZnC 1 2/c 126.8028; 6.8933; 23.069
90; 110.021; 90
4004.6Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549172 CIFC19 H22.75 N2 O4.38 ZnC 2 2 2124.662; 37.18; 8.7826
90; 90; 90
8053.1Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
IUCrJ, 2018, 5
1549175 CIFC12 H8 S3P 1 21/n 143.822; 5.689; 48.331
90; 106.79; 90
11535Resel, Roland; Jones, Andrew O. F.; Schweicher, Guillaume; Fischer, Roland; Demitri, Nicola; Geerts, Yves Henri
Polymorphism of terthiophene with surface confinement
IUCrJ, 2018, 5
1549229 CIFC16 H21 N7 O3 SP -110.8022; 13.9084; 14.6076
115.284; 109.088; 90.525
1846.65Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
IUCrJ, 2018, 5
1549230 CIFC18 H23 N7 O5 SP 1 21/c 113.5226; 14.9966; 10.6958
90; 104.179; 90
2102.95Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
IUCrJ, 2018, 5
1549231 CIFC34 H44 N14 O6 S2P -111.0286; 13.7429; 14.9742
115.247; 109.951; 90.122
1900.25Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
IUCrJ, 2018, 5
1549232 CIFC35 H46 N14 O6 S2P -114.075; 14.8889; 19.635
86.408; 88.142; 71.702
3898.7Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
IUCrJ, 2018, 5
1549233 CIFC37 H50 N14 O6 S2P 1 21/n 115.0338; 11.5004; 24.396
90; 104.539; 90
4082.87Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
IUCrJ, 2018, 5
1549234 CIFC34 H39 N15 O4 S2P 1 21/n 114.8461; 12.3081; 21.285
90; 105.176; 90
3753.71Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
IUCrJ, 2018, 5
1549235 CIFC39 H46 N14 O3 SP -111.2398; 13.2439; 15.4624
113.595; 103.527; 91.977
2029.46Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
IUCrJ, 2018, 5
1549262 CIFC24 H106 Ca Cu6 N6 O66P 6317.8904; 17.8904; 12.7999
90; 90; 120
3547.9Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio
Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes
Materials Horizons, 2018, 5, 683
1549263 CIFC48.4 H80.2 Ca Cu6 N11 O37.6P 6317.9504; 17.9504; 12.5603
90; 90; 120
3504.9Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio
Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes
Materials Horizons, 2018, 5, 683
1549264 CIFC42 H83 Ca Cu6 N9 O54P 6317.9607; 17.9607; 12.6765
90; 90; 120
3541.4Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio
Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes
Materials Horizons, 2018, 5, 683
1549265 CIFC42 H89 Ca Cu6 N9 O51P 6317.9035; 17.9035; 12.6421
90; 90; 120
3509.3Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio
Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes
Materials Horizons, 2018, 5, 683
1549266 CIFC37 H90 Ca Cl Cu6 N7 O50P 6317.997; 17.997; 12.861
90; 90; 120
3607.5Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio
Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes
Materials Horizons, 2018, 5, 683
1549267 CIFC26 H15 N5 OP -19.3241; 9.5329; 12.0593
83.218; 66.653; 80.098
967.99Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M.
π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene
IUCrJ, 2018, 5
1549268 CIFC26 H15 N5 OP -19.2504; 9.4009; 11.9245
84.147; 67.347; 81.113
944.47Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M.
π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene
IUCrJ, 2018, 5
1549525 CIFC4 H6 Cl N3 OP 1 21/n 18.1481; 6.8774; 10.9947
90; 95.97; 90
612.777Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria
Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions
IUCrJ, 2018, 5
1549526 CIFC5 H7 Cl N5 O0.5P 1 2/n 18.6936; 4.8189; 17.6971
90; 93.526; 90
739.992Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria
Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions
IUCrJ, 2018, 5
1549527 CIFC2.5 H3.5 Cl N2.5 O0.5P n m a13.5939; 6.4841; 9.86
90; 90; 90
869.1Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria
Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions
IUCrJ, 2018, 5
1549598 CIF
Paper
Al4.857 O9.571 Si1.143P b a m7.5787; 7.6707; 2.8836
90; 90; 90
167.635Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon
Exploiting superspace to clarify vacancy and Al/Si ordering in mullite
IUCrJ, 2018, 5
1549599 CIF
Paper
Al4.832 O9.584 Si1.168P b a m7.577; 7.6727; 2.8804
90; 90; 90
167.46Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon
Exploiting superspace to clarify vacancy and Al/Si ordering in mullite
IUCrJ, 2018, 5
1549600 CIF
Paper
Al4.868 O9.566 Si1.132P b a m7.5768; 7.676; 2.8833
90; 90; 90
167.69Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon
Exploiting superspace to clarify vacancy and Al/Si ordering in mullite
IUCrJ, 2018, 5
1549601 CIF
Paper
Al4.853 O9.574 Si1.147P b a m7.577; 7.6738; 2.8823
90; 90; 90
167.59Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon
Exploiting superspace to clarify vacancy and Al/Si ordering in mullite
IUCrJ, 2018, 5
1549602 CIFC52 H24 F16 I4 N4P 1 21/c 113.0184; 9.7153; 19.986
90; 104.649; 90
2445.6Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R.
Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization
IUCrJ, 2018, 5
1549603 CIFC52 H24 F16 I4 N4P 1 21/c 112.9647; 10.2219; 19.519
90; 109.387; 90
2440.1Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R.
Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization
IUCrJ, 2018, 5
1549713 CIFC42 H46 Mn0.5 N6 O14 S2P -19.7187; 11.2496; 21.8708
88.401; 83.848; 64.446
2144.39Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel
Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs)
IUCrJ, 2018, 5
1549880 CIFC17 H16 B Cd N8 O5P 1 21/c 19.2198; 14.0236; 15.7941
90; 105.723; 90
1965.69Wen, Tian; Zheng, Yao; Xu, Chaochen; Zhang, Jian; Jaroniec, Mietek; Qiao, Shi-Zhang
A boron imidazolate framework with mechanochromic and electrocatalytic properties
Materials Horizons, 2018, 5, 1151
1549881 CIFC13 H8 Br N O SeP 1 21/n 17.6043; 13.4161; 11.8847
90; 103.676; 90
1178.1Shukla, Rahul; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Balkrishna, Shah Jaimin; Kumar, Sangit; Chopra, Deepak
Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative <i>via</i> experimental and theoretical electron-density analysis
IUCrJ, 2018, 5, 647-653
1549947 CIFC10 H12 N2P c a m8.99566; 21.5226; 9.8982
90; 90; 90
1916.39Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose
Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole
IUCrJ, 2018, 5
1549948 CIFC10 H12 N2P c a 219.0006; 20.7778; 9.7487
90; 90; 90
1823.13Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose
Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole
IUCrJ, 2018, 5
1549949 CIFC10 H12 N2P n a 218.6825; 42.095; 9.7523
90; 90; 90
3564.4Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose
Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole
IUCrJ, 2018, 5
1550099 CIFC31 H34 N2 O5P 1 21/c 111.0695; 17.736; 13.5179
90; 97.3794; 90
2631.97Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini
Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals
IUCrJ, 2018, 5

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