Crystallography Open Database

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1560707 CIF
HKL
Paper
C30 H31 N O3 S2P -4 21 c25.375; 25.375; 8.6456
90; 90; 90
5566.82Vinotha, G.; Sundar, T. V.; Sharmila, N.
13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one
IUCrData, 2021, 6, x210210
1561331 CIFO357 P8 Ta12 W60P -4 21 c24.185; 24.185; 27.067
90; 90; 90
15832Li, Shujun; Peng, Qingpo; Chen, Xuenian; Wang, Ruoya; Zhai, Jianxin; Hu, Weihua; Ma, Fengji; Zhang, Jie; Liu, Shuxia
A Ta/W mixed addenda heteropolyacid with excellent acid catalytic activity and proton-conducting property
Journal of Solid State Chemistry, 2016, 243, 1-7
1561409 CIFBa4 Ga4 Ge Se12P -4 21 c13.5468; 13.5468; 6.4915
90; 90; 90
1191.29Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur
Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties
Journal of Solid State Chemistry, 2016, 241, 131-136
1567616 CIFC23 H15 F3 I2 N2 O3 SP -4 21 c22.544; 22.544; 9.5927
90; 90; 90
4875.3Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.
Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond
Chemical Science, 2022, 13, 11156-11162
1567632 CIFC25 H30 N2 O2P -4 21 c20.192; 20.192; 11.043
90; 90; 90
4502.4Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang
Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.
Chemical science, 2022, 13, 11594-11599
1568288 CIFC30 H45 N2 Sc Si2P -4 21 c17.6502; 17.6502; 20.387
90; 90; 90
6351.2Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang
Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand
Polymer Chemistry, 2023, 14, 828-838
1570950 CIFC20 H37 B7 Os2P -4 21 c23.6454; 23.6454; 8.8984
90; 90; 90
4975.1Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal
Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).
Chemical science, 2024, 15, 4179-4186
1571769 CIF
Paper
C36 H48 N4 SnP -4 21 c13.7; 13.7; 8.7123
90; 90; 90
1635.21Lämmer, Christian; Merzweiler, Kurt
Tetrakis(2,4,6-trimethylanilido)tin(IV)
IUCrData, 2024, 9, x240479
1572253 CIFC28 H28 MoP -4 21 c11.849; 11.849; 7.8931
90; 90; 90
1108.18Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.
Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.
Chemical science, 2024, 15, 14016-14026
1572519 CIFC12 H9 Co0.75 N2 O2P -4 21 c12.2559; 12.2559; 15.4132
90; 90; 90
2315.2Xiao, Caihong; Du, Shaowu
First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies
Crystals, 2024, 14, 731
1573084 CIFC57 H78 N4 O P2P -4 21 c27.9576; 27.9576; 15.5123
90; 90; 90
12124.8Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu
Diphosphaenones: beyond the phosphorus analogue of enones.
Chemical science, 2024, 15, 20030-20038
1573243 CIFC42 H34 O6 P2 RuP -4 21 c14.82724; 14.82724; 16.45463
90; 90; 90
3617.5Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1574518 CIFC68 H72 B4 N8 Na4P -4 21 c22.5318; 22.5318; 24.2167
90; 90; 90
12294.4Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger
Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation
Chemical Science, 2025, 16, 9934-9942
1574520 CIFC68 H72 B4 K4 N8P -4 21 c22.279; 22.279; 25.8166
90; 90; 90
12814.2Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger
Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation
Chemical Science, 2025, 16, 9934-9942
1574645 CIFC98 H104 In4 O70 Ti12P -4 21 c19.7706; 19.7706; 15.9534
90; 90; 90
6235.81Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian
Ligand effect on In-Ti-oxo nanoclusters for nanolithography.
Materials horizons, 2025, 12, 6283-6290
1574646 CIFC92 H112 In4 O78 Ti12P -4 21 c19.6806; 19.6806; 15.9007
90; 90; 90
6158.8Wu, Jiao; Chen, Jiali; Wang, Liming; Ye, Yuting; Zhan, Xiaozhi; Song, Yihang; Li, Qiao-Hong; Yi, Xiaofeng; Zhang, Jian
Ligand effect on In-Ti-oxo nanoclusters for nanolithography.
Materials horizons, 2025, 12, 6283-6290
1574724 CIFC44 H56 B2 N4P -4 21 c18.9063; 18.9063; 23.2427
90; 90; 90
8308.06Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger
Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation
Chemical Science, 2025, 16, 11637-11643
1575378 CIFC10 H13 Cl Co N2 O2P -4 21 c10.9927; 10.9927; 19.6735
90; 90; 90
2377.3Favela-Mendoza, Roberto; Rul-Ramírez, Elizabeth; García-Alvarez, Ana Cristina; Sánchez-Lara, Eduardo; Gamboa-Ramírez, Stefani; Flores-Álamo, Marcos; Bertaina, Sylvain; Orio, Maylis; Guerra-Tschuschke, Isabel; Castillo, Ivan
Electrocatalytic water oxidation with bioinspired cubane-type Co<sup>II</sup> complexes.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14150-14160
1575596 CIFC34 H45 N2 O2 SbP -4 21 c18.2827; 18.2827; 20.6322
90; 90; 90
6896.5Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel
Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.
Chemical science, 2025, 16, 14178-14185
2000824 CIF
Paper
C9 H11 N3 O3P -4 21 c14.232; 14.232; 10.169
90; 90; 90
2059.7Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.
Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas
Acta Crystallographica Section C, 1992, 48, 1051-1054
2001446 CIF
Paper
C18 H46 N6 Na2 S6P -4 21 c13.239; 13.239; 18.4
90; 90; 90
3225Besser, S.; Herbst-Irmer, R.; Stalke, D.; Brooker, A. T.; Snaith, R.; Wright, D. S.
Structure of bis(pentamethyldiethylenetriamine)disodium hexasulfide
Acta Crystallographica Section C, 1993, 49, 1482-1483
2001543 CIF
Paper
C24 H20 PbP -4 21 c12.151; 12.151; 6.545
90; 90; 90
966.3Preut, H.; Huber, F.
Redetermination of tetraphenyllead
Acta Crystallographica Section C, 1993, 49, 1372-1373
2002028 CIF
Paper
F2 O5 S2P -4 21 c7.5214; 7.5214; 9.261
90; 90; 90
523.91Blake, A. J.; Žák, Z.
Structure of disulfuryl difluoride at 100 K
Acta Crystallographica Section C, 1993, 49, 7-9
2002499 CIFMn O4 Pb2P -4 21 c12.773; 12.773; 5.142
90; 90; 90
838.9Teichert, A; Mueller-Buschbaum, Hk
Ein neuer Strukturtyp zur Formel A2 M O4: Pb2 Mn O4, eine Tunnelstruktur mit einseitig koordinierten Pb2±Ionen
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 598, 319-325
2004482 CIF
Paper
H4 O8 Sn6P -4 21 c7.9268; 7.9268; 9.1025
90; 90; 90
571.95Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.
Tin(II) Oxyhydroxide by X-ray Powder Diffraction
Acta Crystallographica Section C, 1996, 52, 286-288
2007139 CIF
Paper
C68 H104 Cl6 Mn N4P -4 21 c15.747; 15.747; 13.148
90; 90; 90
3260.3Chang, Ning-Leh; Lynch, Vincent M.; Simonsen, Stanley H.
Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride
Acta Crystallographica Section C, 1998, 54, 475-476
2010174 CIF
Paper
C32 H36 O4 SnP -4 21 c14.2266; 14.2266; 7.3943
90; 90; 90
1496.6Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N.
Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin
Acta Crystallographica Section C, 1994, 50, 1703-1707
2010639 CIF
HKL
Paper
C14 H11 Na O2P -4 21 c18.944; 18.944; 6.3326
90; 90; 90
2272.6Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M.
Sodium diphenylacetate, an infinite columnar structure
Acta Crystallographica Section C, 2000, 56, 168-170
2015012 CIF
HKL
Paper
C26 H20 N4P -4 21 c19.2181; 19.2181; 10.8347
90; 90; 90
4001.64Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher
Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules
Acta Crystallographica Section C, 2005, 61, o490-o492
2017114 CIF
HKL
Paper
C34 H32P -4 21 c12.826; 12.826; 7.2032
90; 90; 90
1184.97Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane
Acta Crystallographica Section C, 2009, 65, o248-o252
2018289 CIF
HKL
Paper
C24 H68 Co7 Cs2 O54P -4 21 c12.5738; 12.5738; 19.5895
90; 90; 90
3097.11Falvello, Larry R.; Forcén-Vázquez, Elena; Mayoral, Isabel; Tomás, Milagros; Palacio, Fernando
A square two-dimensional polymer of cobalt citrate cubanes
Acta Crystallographica Section C, 2011, 67, m359-m363
2018905 CIF
HKL
Paper
C11 H11 Br O3P -4 21 c16.2247; 16.2247; 7.6586
90; 90; 90
2016.1Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim
Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one
Acta Crystallographica Section C, 2013, 69, 407-411
2018978 CIF
HKL
Paper
C37 H52 Cl4 N8 O8 Zn2P -4 21 c12.2905; 12.2905; 16.133
90; 90; 90
2437Wang, Ya-Qin; Xie, Fa-Zhi; Du, Lin
Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]
Acta Crystallographica Section C, 2013, 69, 577-580
2020716 CIF
HKL
C16 H20 N O PP -4 21 c18.7952; 18.7952; 8.5279
90; 90; 90
3012.56Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2104221 CIF
Paper
C6 D12 OP -4 21 c10.53507; 10.535067; 10.53715
90; 90; 90
1169.49Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T.
Polymorphism in cyclohexanol
Acta Crystallographica Section B, 2008, 64, 573-582
2105431 CIFB7 Cl Cr3 O13P -4 21 c12.141; 12.141; 12.1606
90; 90; 90
1792.52Schmid, H.; Yvon, K.; Kubel, F.; Mao, S.Y.
Tetragonal ferroelastic/antiferroelectric chromium-chlorine boracite, Cr3B7O13Cl, fron x-ray diffraction on a single-domain crystal at 230 K
Acta Crystallographica B (39,1983-), 1991, 47, 692-696
2107424 CIFD10 O8 SP -4 21 c7.482; 7.482; 6.353
90; 90; 90
355.643Kjaellman, T.; Olovsson, I.
Hydrogen-Bond studies. LVIII. The crystal structure of normal and deuterated sulphuric acid tetrahydrate, ((H5 O2)(+))2 (S O4)(2-) and ((D5 O2)(+))2 (S O4)(2-)
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1692-1697
2107425 CIFH10 O8 SP -4 21 c7.484; 7.484; 6.349
90; 90; 90
355.609Kjaellman, T.; Olovsson, I.
Hydrogen-bond studies. LVIII. The crystal structure of normal and deuterated sulphuric acid tetrahydrate, ((H5 O2)(+))2 (S O4)(2-) and ((D5 O2)(+))2 (S O4)(2-)
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1692-1697
2108258 CIF
HKL
C48 H40 Fe4 N4 O24P -4 21 c13.2415; 13.2415; 14.9977
90; 90; 90
2629.7Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.
Control of crystal structure using temperature and time
Acta Crystallographica Section B, 2018, 74
2200280 CIF
HKL
Paper
C1.875 H7.5 N1.25 O5 P1.25 Zn1.25P -4 21 c9.9015; 9.9015; 13.4199
90; 90; 90
1315.7Harrison, William T. A.
[H~3~N(CH~2~)~3~NH~3~]~0.5~[ZnPO~4~], an organically templated zincophosphate analogue of the aluminosilicate zeolite edingtonite
Acta Crystallographica Section E, 2001, 57, m248-m250
2200990 CIF
HKL
Paper
C4 H8 I4 SnP -4 21 c9.4019; 9.4019; 7.4051
90; 90; 90
654.58Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.
Tetrakis(iodomethyl)stannane
Acta Crystallographica Section E, 2002, 58, m105-m106
2201557 CIF
HKL
Paper
C8 H12 O8 SiP -4 21 c7.3086; 7.3086; 11.2295
90; 90; 90
599.83Wicke, Lena; Alig, Edith; Lerner, Hans-Wolfram; Bolte, Michael
Redetermination of silicon(IV) acetate
Acta Crystallographica Section E, 2002, 58, o927-o928
2202314 CIF
HKL
Paper
C18 H36 N2 O4 S4 ZnP -4 21 c12.557; 12.557; 16.6
90; 90; 90
2617.5Reck, Günter; Becker, Roland
(<i>N,N</i>-Diisobutyldithiocarbamoylsulfinato)zinc(II)
Acta Crystallographica Section E, 2003, 59, m489-m490
2202927 CIF
HKL
Paper
C32 H36 SnP -4 21 c13.4; 13.4; 8.2
90; 90; 90
1472.4I. Wharf; Francine Bélanger-Gariépy
Tetrakis(3,5-dimethylphenyl)tin(IV)
Acta Crystallographica Section E, 2003, 59, m661-m663
2202941 CIF
HKL
Paper
C4 H8 Co N6 O4 S4P -4 21 c12.205; 12.205; 5.3588
90; 90; 90
798.26Becker, Steffi; Lerner, Hans-Wolfram; Bolte, Michael
Diammonium tetrathiocyanatocobaltate(II) tetrahydrate
Acta Crystallographica Section E, 2003, 59, i156-i157
2204267 CIF
HKL
Paper
C14 H34 Al2 Cl2 N2P -4 21 c12.011; 12.011; 14.4768
90; 90; 90
2088.48Hecht, Elmar
Bis(μ-<i>N</i>-methylethylamido)bis[<i>tert</i>-butylchloroaluminium]
Acta Crystallographica Section E, 2004, 60, m1387-m1388
2205124 CIF
HKL
Paper
C9 H13 N OP -4 21 c14.692; 14.692; 8.0106
90; 90; 90
1729.1Yathirajan, Hemmige S.; Gaonkar, Santhosh L.; Bolte, Michael
2-(5-Ethylpyridin-2-yl)ethanol
Acta Crystallographica Section E, 2005, 61, o492-o493
2205543 CIF
HKL
Paper
C16 H6 Br2 Cl2 N2 S2P -4 21 c20.2456; 20.2456; 8.5209
90; 90; 90
3492.6Stacy, Vanessa; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.
2,3-Bis(5-bromo-2-thienyl)-6,7-dichloroquinoxaline
Acta Crystallographica Section E, 2005, 61, o904-o905
2206904 CIF
Paper
C11 H14 Cl Cu N O4P -4 21 c16.7345; 16.7345; 8.7634
90; 90; 90
2454.1Ni, Jia; Chen, Yao-Wen; Zhang, Haidan
Chloro{2-[tris(hydroxymethyl)methyliminomethyl]phenolato}copper(II)
Acta Crystallographica Section E, 2005, 61, m2093-m2094
2214111 CIF
HKL
Paper
C6 H6 Ca O8P -4 21 c7.8705; 7.8705; 13.4367
90; 90; 90
832.33Aliouane, K.; Rahahlia, N.; Guehria-Laidoudi, A.; Dahaoui, S.; Lecomte, C.
Poly[bis(μ~3~-dihydrogen malonato)calcium(II)]
Acta Crystallographica Section E, 2007, 63, m1834-m1836

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