Crystallography Open Database

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1511227 CIFB Li3 N2P 42 21 24.6435; 4.6435; 5.2592
90; 90; 90		113.399Koizumi, M.; Yamane, H.; Kikkawa, S.
High- and low-temperature phases of lithium boron nitride, Li3 B N2: Preparation, phase relation, crystal structure, and ionic conductivity
Journal of Solid State Chemistry, 1987, 71, 1-11
1517910 CIFC20 H19 N O3P 42 21 215.4159; 15.4159; 15.6014
90; 90; 90		3707.67Zheng, Chenguang; Yao, Weijun; Zhang, Yucheng; Ma, Cheng
Chiral Spirooxindole-Butenolide Synthesis through Asymmetric N-Heterocyclic Carbene-Catalyzed Formal (3 + 2) Annulation of 3-Bromoenals and Isatins.
Organic letters, 2014, 16, 5028-5031
1528168 CIFF14 Fe3 Na5P 42 21 27.345; 7.345; 10.4
90; 90; 90		561.07Vlasse, M.; Menil, F.; Moriliere, C.; Dance, J.M.; Tressaud, A.; Portier, J.
Etude cristallographique et par effet moessbauer du fluorure ferrimagnetique Na5 Fe3 F14-gamma
Journal of Solid State Chemistry, 1976, 17, 291-298
1554749 CIFC152 H120 B4 F16 N8 Pd2P 42 21 232.9899; 32.9899; 14.3593
90; 90; 90		15627.7Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.
Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands
Organic Chemistry Frontiers, 2019, 6, 1226
1558019 CIFC8 H16 Be N6P 42 21 29.9478; 9.9478; 5.4077
90; 90; 90		535.14Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.
Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters
Chemical Science, 2020, 11, 5415-5422
1558057 CIFC80 H64 Co4 N16 O14P 42 21 219.5696; 19.5696; 26.6481
90; 90; 90		10205.4Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina
Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.
Nanoscale, 2020, 12, 11601-11611
1565992 CIFC80 H199 K4 O99.5 P2P 42 21 223.4286; 23.4286; 24.2838
90; 90; 90		13329.4Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold
Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes
Chemical Science, 2022, 13, 2218-2225
1565993 CIFC81 H195 K4 O96.5 P2P 42 21 223.5333; 23.5333; 24.406
90; 90; 90		13516Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold
Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes
Chemical Science, 2022, 13, 2218-2225
2003008 CIFC8 H24 P4 S8 ThP 42 21 210.386; 10.386; 11.742
90; 90; 90		1266.6Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2003009 CIFC8 H24 P4 S8 ThP 42 21 210.42; 10.42; 11.784
90; 90; 90		1279Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2003010 CIFC8 H24 P4 S8 ThP 42 21 210.42; 10.42; 11.784
90; 90; 90		1279Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2003011 CIFC8 H24 P4 S8 ThP 42 21 210.386; 10.386; 11.742
90; 90; 90		1266.6Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2013444 CIF
HKL
Paper		C38 H24 N10 ZnP 42 21 29.7411; 9.7411; 17.108
90; 90; 90		1623.4Miguel Angel Harvey; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio
Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinato-κ<i>N</i>]zinc(II)
Acta Crystallographica Section C, 2003, 59, m283-m285
2101133 CIF
Paper		F6 Li2 MoP 42 21 24.6863; 4.6863; 9.191
90; 90; 90		201.8Baur, W. H.
Space group of the trirutile type structure of Li~2~MoF~6~
Acta Crystallographica Section B, 1994, 50, 141-146
2107955 CIF
HKL
Paper		C0.925 H5.55 I2.982 N0.925 O0.088 PbP 42 21 28.8829; 8.8829; 12.7008
90; 90; 90		1002.17Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre
CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions
Acta Crystallographica Section B, 2016, 72, 716-722
2212834 CIF
HKL
Paper		C38 H24 Co N10P 42 21 29.715; 9.715; 17.154
90; 90; 90		1619Zhang, Shu-Hua; Zeng, Ming-Hua; Liang, Hong
Bis{2-[6-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)-2-pyridyl-κ<i>N</i>]benzimidazolido-κ<i>N</i>}cobalt(II)
Acta Crystallographica Section E, 2007, 63, m1055-m1056
2226151 CIF
HKL
Paper		C15 H15 Br2 Cl N2 O2P 42 21 217.8377; 17.8377; 5.127
90; 90; 90		1631.33Garden, Simon J.; Gama, Paola E.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.; Howie, R. Alan
1,3-Bis(4-bromophenyl)imidazolium chloride dihydrate
Acta Crystallographica Section E, 2010, 66, o1438-o1439
4020039 CIFC50 H34 I6P 42 21 215.627; 15.627; 9.717
90; 90; 90		2373Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi
Journal of Organic Chemistry, 2005, 70, 749-752
4026749 CIFC16 H32 Br2 Mg O4P 42 21 27.7653; 7.7653; 17.0129
90; 90; 90		1025.88Jacob W. Clary; Terry J. Rettenmaier; Rachel Snelling; Whitney Bryks; Jesse Banwell; W. Todd Wipke; Bakthan Singaram
Hydride as a Leaving Group in the Reaction of Pinacolborane with Halides under Ambient Grignard and Barbier Conditions. One-Pot Synthesis of Alkyl, Aryl, Heteroaryl, Vinyl, and Allyl Pinacolboronic Esters
Journal of Organic Chemistry, 2011, 76, 9602-9610
4077330 CIFC59 H46 B2 Cl2 F8 N2 O6 P4 Ru2P 42 21 218.5555; 18.5555; 20.0822
90; 90; 90		6914.4Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.
Synthesis and Reactivity of a Diruthenium Diazoalkane Complex
Organometallics, 2001, 20, 3500
4102837 CIFC38 H80 Mo P4 Pt2 Si2P 42 21 218.1; 18.1; 15.019
90; 90; 90		4920Holger Braunschweig; Peter Brenner; Manuela Gross; Krzysztof Radacki
Reactivity of [1],[1]Disilamolybdenocenophane toward Zerovalent Platinum Complexes
Journal of the American Chemical Society, 2010, 132, 11343-11349
4108269 CIFC36 H44.38 Cu2 O18.19P 42 21 215.3277; 15.3277; 24.322
90; 90; 90		5714.2Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi
Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra
Journal of the American Chemical Society, 2008, 130, 11650-11661
4108526 CIFC74 H150 Si16P 42 21 216.6701; 16.6701; 33.7498
90; 90; 90		9378.8Takahiro Sasamori; Koji Hironaka; Yusuke Sugiyama; Nozomi Takagi; Shigeru Nagase; Yoshinobu Hosoi; Yukio Furukawa; Norihiro Tokitoh
Synthesis and Reactions of a Stable 1,2-Diaryl-1,2-dibromodisilene: A Precursor for Substituted Disilenes and a 1,2-Diaryldisilyne
Journal of the American Chemical Society, 2008, 130, 13856-13857
4110802 CIFC14 H12 N2 O12 Zn2P 42 21 27.0249; 7.0249; 19.936
90; 90; 90		983.83Xiang Lin; Alexander J. Blake; Claire Wilson; Xue Zhong Sun; Neil R. Champness; Michael W. George; Peter Hubberstey; Robert Mokaya; Martin Schröder
A Porous Framework Polymer Based on a Zinc(II) 4,4'-Bipyridine-2,6,2',6'-tetracarboxylate: Synthesis, Structure, and "Zeolite-Like" Behaviors
Journal of the American Chemical Society, 2006, 128, 10745-10753
4113015 CIFC20 H32 Br3 N2 O4 ScP 42 21 217.53; 17.53; 8.28
90; 90; 90		2544Shunpei Ishikawa; Tomoaki Hamada; Kei Manabe; Shū Kobayashi
Catalytic Asymmetric Hydroxymethylation of Silicon Enolates Using an Aqueous Solution of Formaldehyde with a Chiral Scandium Complex
Journal of the American Chemical Society, 2004, 126, 12236-12237
4118509 CIFC25 H24 Cl2 Cu N4 O4P 42 21 223.485; 23.485; 8.995
90; 90; 90		4961Akihito Shigematsu; Teppei Yamada; Hiroshi Kitagawa
Selective Separation of Water, Methanol, and Ethanol by a Porous Coordination Polymer Built with a Flexible Tetrahedral Ligand
Journal of the American Chemical Society, 2012, 134, 13145-13147
4121577 CIFC115 H76 Al8 O41P 42 21 218.878; 18.878; 37.043
90; 90; 90		13201Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.
High methane storage capacity in aluminum metal-organic frameworks.
Journal of the American Chemical Society, 2014, 136, 5271-5274
4121578 CIFC216 H60 Al8 O56P 42 21 219.28; 19.28; 36.03
90; 90; 90		13393Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.
High methane storage capacity in aluminum metal-organic frameworks.
Journal of the American Chemical Society, 2014, 136, 5271-5274
4125182 CIFC72 H112 I5 K2 O91P 42 21 219.826; 19.826; 30.613
90; 90; 90		12033Zhou, Hongyao; Yamada, Teppei; Kimizuka, Nobuo
Supramolecular Thermo-Electrochemical Cells: Enhanced Thermoelectric Performance by Host-Guest Complexation and Salt-Induced Crystallization.
Journal of the American Chemical Society, 2016, 138, 10502-10507
4129110 CIFC31.59 H19.8 Al2 N1.2 O9.05P 42 21 219.0466; 19.0466; 36.389
90; 90; 90		13200.9Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129111 CIFC29 H19.5 Al2 O11.08 P0.5P 42 21 218.7104; 18.7104; 37.1528
90; 90; 90		13006.4Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129112 CIFC27 H17 Al2 O12.08 S0.86P 42 21 218.1729; 18.1729; 37.6737
90; 90; 90		12441.9Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129113 CIFC30.05 H17 Al2 N0.56 O10.56P 42 21 218.5778; 18.5778; 37.2977
90; 90; 90		12872.7Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129114 CIFC29.8 H17.44 Al2 O10.15 S0.36P 42 21 218.4641; 18.4641; 37.4193
90; 90; 90		12757.1Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129115 CIFC33.75 H23.81 Al2 B0.51 N1.02 O10.21P 42 21 219.2915; 19.2915; 36.081
90; 90; 90		13428Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129116 CIFC28.98 H18.86 Al2 N2.59 O8.37P 42 21 219.5339; 19.5339; 35.7057
90; 90; 90		13624.3Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129117 CIFC27.45 H18.55 Al2 O11.03 P0.55P 42 21 218.1702; 18.1702; 37.843
90; 90; 90		12494.1Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129118 CIFC29.81 H19.81 Al2 N1.87 O8P 42 21 219.4481; 19.4481; 35.7074
90; 90; 90		13505.6Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129119 CIFC29.02 H19.04 Al2 N2.07 O9.21P 42 21 218.8135; 18.8135; 36.797
90; 90; 90		13024.2Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129120 CIFC30.06 H24.02 Al2 N0.69 O11.09 P0.41P 42 21 218.6051; 18.6051; 37.384
90; 90; 90		12940.5Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129121 CIFC30.61 H21.53 Al2 O10.25 S0.52P 42 21 218.6986; 18.6986; 37.201
90; 90; 90		13006.9Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129122 CIFC31 H21 Al2 Br N2 O8P 42 21 219.4353; 19.4353; 35.7957
90; 90; 90		13521.1Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129123 CIFC34.5 H21.61 Al2 N2.17 O9.87P 42 21 218.6944; 18.6944; 37.0688
90; 90; 90		12954.8Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129124 CIFC30.29 H19.53 Al2 N0.76 O9.35P 42 21 219.3331; 19.3331; 36.2317
90; 90; 90		13542.3Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129125 CIFC28.72 H18.69 Al2 N2.15 O8.57P 42 21 218.9; 18.9; 36.682
90; 90; 90		13103.2Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129126 CIFC37 H27 Al2 N1.8 O10.85P 42 21 219.4248; 19.4248; 35.7345
90; 90; 90		13483.4Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129127 CIFC28.66 H18.66 Al2 N1.97 O8.69P 42 21 218.9155; 18.9155; 36.6951
90; 90; 90		13129.4Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129128 CIFC36.71 H26.71 Al2 N1.74 O10.8P 42 21 219.375; 19.375; 35.8159
90; 90; 90		13445Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129129 CIFC28.3 H19.22 Al2 O10.76 P0.35P 42 21 219.1935; 19.1935; 36.602
90; 90; 90		13483.8Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869
4129130 CIFC28.73 H21.63 Al2 O10.09 P0.73P 42 21 218.9892; 18.9892; 36.9796
90; 90; 90		13334.5Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
Journal of the American Chemical Society, 2019, 141, 18862-18869

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