Crystallography Open Database

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1566231 CIFCu4 H6 O14 Se2 UP m n 215.9784; 5.5874; 19.1254
90; 90; 90
638.86Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev
Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite
Journal of GeoSciences, 2020, 65, 249-259
1566232 CIFCu4 H6 O14 Se2 UP m n 215.9843; 5.5966; 19.1599
90; 90; 90
641.7Vladislav V. Gurzhiy; Alina R. Izatulina; Maria G. Krzhizhanovskaya; Mikhail N. Murashko; Dar-ya V. Spiridonova; Vladimir V. Shilovskikh; Sergey V. Krivovichev
Thermal behavior of uranyl selenite minerals derriksite and demesmaekerite
Journal of GeoSciences, 2020, 65, 249-259
1566263 CIFCa0 K2 Mg Na0 O28 S4 U2P m n 2112.785; 8.2683; 11.2163
90; 90; 90
1185.68Jakub Plasil; Jan Hlousek; Anatoly V. Kasatkin; Milan Novak; Jiri Cejka; Ladislav Lapcak
Svornostite, K2Mg[(UO2)(SO4)2]2 . 8H2O, a new uranyl sulfate mineral from Jachymov, Czech Republic
Journal of GeoSciences, 2015, 60, 113-121
1568630 CIFC30 H38 Cl2 N6 O8 PdP m n 2117.1932; 11.4548; 8.6473
90; 90; 90
1703.04Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
Chemical science, 2023, 14, 3800-3808
1569372 CIFC26 H13 N O2P m n 2116.208; 4.087; 12.278
90; 90; 90
813.3Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong
Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.
Materials horizons, 2023, 10, 3785-3790
1569794 CIFC441 H508 Ag16 N26 Na2 O109 S32 Ti16P m n 2122.273; 44.47; 38.489
90; 90; 90
38123Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao
Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.
Chemical science, 2023, 14, 10212-10218
1570309 CIFLi3 P S4P m n 217.70829; 6.53521; 6.1365
90; 90; 90
309.13Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi; Nagao, Miki; Hirayama, Masaaki; Kanno, Ryoji
Crystal structure and phase transitions of the lithium ionic conductor Li3PS4
Solid State Ionics, 2011, 182, 53-58
1571667 CIFMo N4 Zn3P m n 216.549; 5.673; 5.3115
90; 90; 90
197.34Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn3WN4 semiconductor via heterovalent solid-state metathesis
Chemical Science, 2024
1571668 CIFN8 W1.66 Zn6.34P m n 216.5602; 5.6813; 5.3235
90; 90; 90
198.41Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn3WN4 semiconductor via heterovalent solid-state metathesis
Chemical Science, 2024
2002350 CIFNb5 O16 Sr5P m n 213.992; 32.476; 5.677
90; 90; 90
736Schueckel, K; Mueller-Buschbaum, Hk
Ein weiteres gemischtes Oxoniobat: Sr5 Nb5 O16
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1985, 528, 91-97
2002352 CIFNb5 O16 Sr5P m n 213.992; 32.476; 5.677
90; 90; 90
736Schueckel, K; Mueller-Buschbaum, Hk
Ein weiteres gemischtvalentes Oxoniobat Sr5 Nb3(IV) Nb2(V) O16
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1985, 528, 91-97
2003320 CIF
Paper
C17 H25 N5 Ni O2P m n 219.415; 8.103; 11.957
90; 90; 90
912.2Moran, J. K.; Olmstead, M. M.; Meares, C. F.
An Aminobenzyldioxocyclam Nickel(II) Complex
Acta Crystallographica Section C, 1995, 51, 621-623
2003687 CIF
Paper
C8 H4 N2P m n 2112.584; 3.894; 6.955
90; 90; 90
340.81Janczak, J.; Kubiak, R.
1,2-Dicyanobenzene. A Precursor of Phthalocyanines
Acta Crystallographica Section C, 1995, 51, 1399-1401
2003948 CIF
Paper
B2 Cs Nb O6P m n 217.532; 3.992; 9.728
90; 90; 90
292.5Becker, P.; Bohatý, L.; Fröhlich, R.
CsNbOB~2~O~5~: the Basic Structure Type of the Borates <i>AM</i>OB~2~O~5~ (<i>A</i> = K, Rb, Cs, Tl; <i>M</i> = Nb, Ta)
Acta Crystallographica Section C, 1995, 51, 1721-1723
2004719 CIF
Paper
C43 H48 Br3 N3 OP m n 2114.692; 13.88; 9.759
90; 90; 90
1990.1Wouters, J.; Evrard, G.; Durant, F.; Kalgutkar, A.; Castagnoli, Jnr, N.
An MPP^+^ Analog: the 2:1 <i>N</i>-Cyclopentyl-4-phenylpyridinium Bromide‒4-Phenylpyridine Complex
Acta Crystallographica Section C, 1996, 52, 1033-1036
2005371 CIF
Paper
C18 H24 O3P m n 2113.734; 8.281; 6.53
90; 90; 90
742.67Schormann, N.; Egert, E.
A Fully Cyclo-Substituted Cyclohexane
Acta Crystallographica Section C, 1996, 52, 2254-2256
2006731 CIF
HKL
Paper
C14 H18 Cl5 N3 TiP m n 217.1807; 10.8165; 12.6864
90; 90; 90
985.35Hensen, Karl; Pickel, Peter; Lemke, Alexander; Bolte, Michael
4-Methylpyridinium Pentachloro(4-methylpyridine-<i>N</i>)titanate(IV) Acetonitrile Solvate at 143K
Acta Crystallographica Section C, 1997, 53, 1583-1585
2006835 CIF
Paper
Eu2 N8 Si5P m n 215.7094; 6.8207; 9.3291
90; 90; 90
363.29Huppertz, Hubert; Schnick, Wolfgang
Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal
Acta Crystallographica Section C, 1997, 53, 1751-1753
2007646 CIF
Paper
C2 H8 Cd Cl2 N4 S2P m n 2113.148; 5.834; 6.501
90; 90; 90
498.7Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda
Bis(thiourea)cadmium Halides
Acta Crystallographica Section C, 1998, 54, 1225-1229
2008122 CIF
HKL
Paper
Co H6 N O5 PP m n 215.621; 8.766; 4.797
90; 90; 90
236.37Yakubovich, Olga V.; Karimova, Oksana V.; Dimitrova, Olga V.; Massa, Werner
Layer structure of (NH~4~)CoPO~4~
Acta Crystallographica Section C, 1999, 55, 151-153
2012412 CIF
HKL
Paper
C5 Ag Cs2 N5 S5 ZnP m n 2110.899; 5.8759; 13.3784
90; 90; 90
856.77Günes̨, Minna; Valkonen, Jussi
Dicaesium silver zinc thiocyanate, Cs~2~[AgZn(SCN)~5~]
Acta Crystallographica Section C, 2002, 58, i1-i2
2012476 CIF
HKL
Paper
C24 H38 N2 O12 UP m n 2115.6688; 9.6025; 9.5303
90; 90; 90
1433.93Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo
First- and second-~sphere coordination of the uranyl ion by bis[2-(2-hydroxyphenoxy)ethoxy]ethane
Acta Crystallographica Section C, 2002, 58, m84-m86
2013759 CIF
HKL
Paper
C16 H13 N5 O2P m n 217.0399; 12.5636; 8.6695
90; 90; 90
766.79Tafeenko, Viktor A.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.
<i>N</i>,<i>N</i>-Dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate
Acta Crystallographica Section C, 2004, 60, o62-o64
2014191 CIF
HKL
Paper
C9 H13 N O3 S2P m n 219.0937; 5.6809; 10.383
90; 90; 90
536.39Chen, Jin-Xiang; Xu, Qing-Feng; Zhang, Yong; Zain, Sharifuddin M.; Ng, Seik Weng; Lang, Jian-Ping
<i>S</i>-[4-(Trimethylammonio)phenyl]thiosulfate, an aromatic organic thiosulfate
Acta Crystallographica Section C, 2004, 60, o572-o574
2019669 CIF
HKL
Paper
C18 H16 Co N2 O6P m n 217.575; 11.41; 10.106
90; 90; 90
873.5Harvey, Miguel Angel; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo
The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H~2~O)~2~]·2H~2~O}~<i>n~</i> into orthorhombic [Co(pht)(bpy)(H~2~O)~2~]~<i>n~</i> (pht is phthalate and bpy is 4,4'-bipyridine)
Acta Crystallographica Section C, 2014, 70, 978-982
2021936 CIF
HKL
Paper
C10 H13 N O4P m n 2110.035; 5.5937; 8.9634
90; 90; 90
503.14Tan, Xue-Jie; Liu, Shuai; Hei, Xiao-Ming; Yang, Feng-Cun; He, Peng-Bing; Guo, Feng; Xing, Dian-Xiang
Structural and theoretical study of four novel norcantharidine derivatives: two new cases of conditional isomorphism
Acta Crystallographica Section C, 2020, 76, 75-86
2100345 CIF
Paper
C3 H9 Cl SiP m n 217.785; 6.43; 6.254
90; 90; 90
313.1Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100346 CIF
Paper
C3 H9 Cl SiP m n 217.768; 6.42; 6.233
90; 90; 90
310.8Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100347 CIF
Paper
C3 H9 Cl SiP m n 217.668; 6.34; 6.159
90; 90; 90
299.4Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2101836 CIF
HKL
Paper
C18 H22 N4 O2 SP m n 2115.029; 9.7954; 5.9817
90; 90; 90
880.6Ferguson, George
Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)
Acta Crystallographica Section B, 1997, 53, 521-533
2101837 CIF
HKL
Paper
C18 H22 N4 O4 SP m n 2114.779; 10.2558; 5.9817
90; 90; 90
906.6Ferguson, George
Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)
Acta Crystallographica Section B, 1997, 53, 521-533
2105286 CIF
HKL
Paper
F28 K10 Nb6 O6P m n 2120.1095; 7.8045; 11.4938
90; 90; 90
1803.89Udovenko, Anatoly A.; Laptash, Natalia M.
Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound
Acta Crystallographica Section B, 2012, 68, 602-609
2105379 CIFAg8 Ge Se6P m n 217.823; 7.712; 10.885
90; 90; 90
656.703Carre, D.; Ollitrault-Fichet, R.; Flahaut, J.
Structure de Ag8 Ge Se6 beta
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 245-249
2105672 CIF
Paper
Cu8 Ge S6P m n 219.9073; 9.9073; 9.8703
90; 90; 90.642
968.75Onoda, Mitsuko; Chen, Xue-An; Kato, Katsuo; Sato, Akira; Wada, Hiroaki
Structure refinement of Cu~8~GeS~6~ using X-ray diffraction data from a multiple-twinned crystal
Acta Crystallographica Section B, 1999, 55, 721-725
2106080 CIFF15 K3 Ta4P m n 213.918; 18.072; 19.057
90; 90; 90
1349.35Boukhari, A.; Chaminade, J.P.; Pouchard, M.; Vlasse, M.
Structure of the potassium tantalum fluoride oxide K3 Ta4 F7 O8
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 237-240
2106462 CIFH13 Mg N O10 PP m n 216.941; 6.137; 11.199
90; 90; 90
477.043Whitaker, A.; Jeffery, J.W.
The crystal structure of struvite, Mg N H4 P O4 (H2 O)6
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1429-1439
2106723 CIFCo2 Mn3 O8P m n 215.743; 4.915; 9.361
90; 90; 90
264.231Riou, A.; Lecerf, A.
Structure cristalline de Co2 Mn3 O8
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2487-2490
2107119 CIFCd Cu2 Ge S4P m n 217.692; 6.555; 6.299
90; 90; 90
317.602Parthe, E.; Yvon, K.; Deitch, R.H.
The Crystal Structure of Cu2 Cd Ge S4 and Other Quaternary Normal Tetrahedral Structure Compounds
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1164-1174
2107401 CIFCu8 Ge S6P m n 217.0445; 6.9661; 9.8699
90; 90; 90
484.343Onoda, M.; Sato, A.; Chen, X.-A.; Wada, H.; Kato, K.
Structure refinement of Cu8 GeS 6 using x-ray diffraction data from a multiple-twinned crystal
Acta Crystallographica B (39,1983-), 1999, 55, 721-725
2108045 CIFF7 K3 O8 Ta4P m n 213.918; 18.072; 19.057
90; 90; 90
1349.4Boukhari, A.; Chaminade, J. P.; Pouchard, M.; Vlasse, M.
Structure of the potassium tantalum fluoride oxide K3Ta4F7O8
Acta Crystallographica, Section B, 1980, 36, 237-240
2108366 CIF
HKL
C16 H9 N3P m n 2119.316; 3.7013; 7.7676
90; 90; 90
555.3Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2200388 CIF
HKL
Paper
C45 H64 Cl2 F N5P m n 2119.846; 10.653; 10.469
90; 90; 90
2213.4Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Sessler, Jonathan L.
Tetrabutylammonium <i>meso</i>-octamethylcalix[4]pyrrole fluoride dichloromethane solvate
Acta Crystallographica Section E, 2001, 57, o816-o818
2205611 CIF
Paper
Co H16 N O10 PP m n 216.946; 6.157; 11.172
90; 90; 90
477.8El Bali, Brahim; Esseli, Rachid; Capitelli, Francesco; Lachkar, Mohammed
Reinvestigation of NH~4~[Co(H~2~O)~6~]PO~4~ based on single-crystal data
Acta Crystallographica Section E, 2005, 61, i52-i54
2205826 CIF
Paper
Ag Cd2 Ga S4P m n 218.1395; 6.9394; 6.6014
90; 90; 90
372.87Pervukhina, Natalie V.; Atuchin, Viktor V.; Parasyuk, Oleg V.
Redetermination of the quaternary phase silver dicadmium gallium tetrasulfide, AgCd~2~GaS~4~
Acta Crystallographica Section E, 2005, 61, i91-i93
2208194 CIF
HKL
Paper
Cl O4 Pb ReP m n 215.68; 9.4389; 4.4656
90; 90; 90
239.41Charkin, Dmitri O.; Plachinda, Pavel A.; Pervukhina, Natalie V.; Borisov, Stanislav V.; Magarill, Svetlana A.
PbCl(ReO~4~), a derivative of the matlockite (PbFCl) structure
Acta Crystallographica Section E, 2006, 62, i23-i25
2208751 CIF
HKL
Paper
C18 H10 N2 S2P m n 2123.44; 7.5873; 3.996
90; 90; 90
710.7Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta
Diquino[3,4-<i>b</i>;4',3'-<i>e</i>][1,4]dithiine
Acta Crystallographica Section E, 2006, 62, o1333-o1335
2209930 CIF
HKL
Paper
C18 H10 N2 S SeP m n 2123.625; 7.3299; 4.1297
90; 90; 90
715.14Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta
Diquino[4,3-<i>b</i>;3',4'-<i>e</i>][1,4]thiaselenine
Acta Crystallographica Section E, 2006, 62, o3203-o3205
2210654 CIF
HKL
Paper
C7 H6 F O2 SP m n 219.288; 8.816; 4.812
90; 90; 90
394.02Wu, Jun-Hua; Fang, Rui-Qin; Shen, Li
Phenylmethanesulfonyl fluoride
Acta Crystallographica Section E, 2006, 62, o4251-o4252
2211516 CIF
HKL
Paper
C15 H24 O2P m n 2118.901; 6.258; 6.267
90; 90; 90
741.3Bai, Guo-Yi; Simpson, Jim; Chen, Yong; Li, Jiang-Sheng; Ning, Hui-Sen
2,6-Di-<i>tert</i>-butyl-4-(hydroxymethyl)phenol
Acta Crystallographica Section E, 2006, 62, o5719-o5721
2211710 CIF
HKL
Paper
C19 H24 Cl2 N2 O4P m n 2138.366; 4.837; 5.298
90; 90; 90
983.2Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Ding, Tie-Zhu
<i>N</i>,<i>N</i>'-Bis(3,4-methylenedioxybenzyl)propane-1,3-diammonium dichloride
Acta Crystallographica Section E, 2007, 63, o313-o314
2213915 CIF
HKL
Paper
C22 H20 N2 O5 ZnP m n 2123.3617; 4.9121; 7.9431
90; 90; 90
911.51Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Kamarulazizi Ibrahim
Aqua{4,4'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>O</i>',<i>N</i>,<i>N</i>'}zinc(II)
Acta Crystallographica Section E, 2007, 63, m1633-m1634
2215348 CIF
HKL
Paper
C23 H24 N2 O2P m n 2119.137; 8.0716; 6.1464
90; 90; 90
949.4Yang, Shu-Ping; Wang, Da-Qi; Han, Li-Jun; Xia, Hai-Tao
1,3-Bis(2-hydroxybenzyl)-2,2-dimethyl-2,3-dihydro-1<i>H</i>-benzimidazole
Acta Crystallographica Section E, 2007, 63, o4088-o4088
2215902 CIF
HKL
Paper
C16 H8 F4 I2 N2P m n 2118.069; 8.2939; 5.6759
90; 90; 90
850.6Pierangelo Metrangolo; Franck Meyer; Tullio Pilati; Giuseppe Resnati; Giancarlo Terraneo
4,4'-Bipyridine‒2,4,5,6-tetrafluoro-1,3-diiodobenzene (1/1)
Acta Crystallographica Section E, 2007, 63, o4243-o4243
2219033 CIF
HKL
Paper
C12 H8 N2 O6 SP m n 2120.26; 5.938; 5.377
90; 90; 90
646.9Yao, Wei; Li, Fang-Shi; Yu, Da-Sheng; Liu, Mei-Juan; Zhu, Jin-Na
Bis(3-nitrophenyl) sulfone
Acta Crystallographica Section E, 2008, 64, o1378
2221696 CIF
HKL
Paper
H N2 O9 P Pb2P m n 215.4069; 10.4079; 7.1958
90; 90; 90
404.94Ouarsal, Rachid; Lachkar, Mohammed; Dušek, Michal; Fejfarová, Karla; El Bali, Brahim
Dilead(II) hydrogenphosphite dinitrate
Acta Crystallographica Section E, 2009, 65, i35
2229791 CIF
HKL
Paper
C2 H5 Cd O4 PP m n 215.902; 9.7792; 4.9901
90; 90; 90
288.01Congiardo, Laura K. Byington; Mague, Joel T.; Funk, Aaron R.; Yngard, Ria; Knight, D. Andrew
Poly[aqua(μ-vinylphosphonato)cadmium]
Acta Crystallographica Section E, 2011, 67, m450-m451
2229829 CIF
HKL
Paper
Cu2 S4 Si ZnP m n 217.4374; 6.4001; 6.1394
90; 90; 90
292.236Rosmus, Kimberly A.; Aitken, Jennifer A.
Cu~2~ZnSiS~4~
Acta Crystallographica Section E, 2011, 67, i28
2232276 CIF
HKL
Paper
C12 H10 Cl O2 P SP m n 2114.9779; 7.3709; 5.8157
90; 90; 90
642.06Zhang, Yan-Fei; Zhao, Pei-Hua; Liu, Jun-Jie; Zhao, Gui-Zhe
Diphenyl chlorothiophosphonate
Acta Crystallographica Section E, 2011, 67, o2861
2233727 CIF
HKL
Paper
C25 H31 N O3P m n 2119.329; 6.7967; 8.2501
90; 90; 90
1083.8Park, Dong Ho; Ramkumar, V.; Parthiban, P.
2,4-Bis(4-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one
Acta Crystallographica Section E, 2012, 68, o779-o780
2236012 CIF
HKL
Paper
C21 H19 Cu N3 O5P m n 2123.162; 5.0997; 7.769
90; 90; 90
917.7Benghanem, Fatiha; Benramdane, Razika; Bouacida, Sofiane; Keraghel, Saida; Ourari, Ali
Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)
Acta Crystallographica Section E, 2012, 68, m1069-m1070
2236685 CIF
HKL
Paper
Li2 Mn O4 SiP m n 216.3133; 5.3677; 4.9685
90; 90; 90
168.37Sato, Mineo; Ishigaki, Tadashi; Uematsu, Kazuyoshi; Toda, Kenji; Okawa, Hirokazu
Redetermination of the low-temperature polymorph of Li~2~MnSiO~4~ from single-crystal X-ray data
Acta Crystallographica Section E, 2012, 68, i68-i69
2236697 CIF
HKL
Paper
Ba Be2 O7 Si2P m n 2111.6491; 4.9175; 4.6746
90; 90; 90
267.78Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong
Redetermination of clinobarylite, BaBe~2~Si~2~O~7~
Acta Crystallographica Section E, 2012, 68, i78-i79
2236721 CIF
HKL
Paper
C12 H6 N2 O4 PbP m n 2113.6224; 4.1923; 10.218
90; 90; 90
583.54Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Çevik, Sabri; Necefoğlu, Hacali; Hökelek, Tuncer
Poly[(μ~5~-2,2'-bipyridine-5,5'-dicarboxylato)lead(II)]
Acta Crystallographica Section E, 2012, 68, m1196-m1197
2237865 CIF
HKL
Paper
C7 H7 N3 O3P m n 218.195; 7.289; 6.721
90; 90; 90
401.5McCormick, Cameron A.; Nguyen, Vu D.; Renfro, Heather E.; Koplitz, Lynn V.; Mague, Joel T.
4-Cyano-1-methylpyridinium nitrate
Acta Crystallographica Section E, 2013, 69, o981-o982
2243197 CIF
HKL
Paper
C12 H17 N4 O6 PP m n 2122.9297; 4.591; 7.09
90; 90; 90
746.37Fábry, Jan
Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate
Acta Crystallographica Section E, 2018, 74, 1295-1298
2311411 CIF
Paper
Al Cl4 LiP m n 217.8273; 6.4466; 6.1304
90; 90; 90
309.34Prömper, Stephan W; Frank, Walter
Lithium tetra-chlorido-aluminate, LiAlCl<sub>4</sub>: a new polymorph (<i>oP</i>12, <i>Pmn</i>2<sub>1</sub>) with Li<sup>+</sup> in tetra-hedral inter-stices.
Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1426-1429
2312275 CIF
HKL
Paper
Cd Cu2 S4 SiP m n 217.60853; 6.48071; 6.24923
90; 90; 90
308.141Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.
Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
3000041 CIFAl3 Cs6 F15P m n 216.36216; 12.7523; 11.4102
90; 90; 90
925.73Armel Le Bail; Lubomir Smrcok
Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~
Powder Diffraction, 2015, 30, 130-138
3000517 On hold until 2024-11-17Ca H14 Li2P m n 213.2144010023; 2.6988172627; 9.4693509838
90; 90; 90
82.147Morgan Redington
To be published in Chemistry of Materials
4001054 CIFBa6 H Nb3 O14P m n 216.0327; 12.4065; 10.431
90; 90; 90
780.7Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias
Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9
Chemistry of Materials, 2009, 21, 3853
4001283 CIFB4 O7 SnP m n 2110.864; 4.448; 4.2396
90; 90; 90
204.87Knyrim, Johanna S.; Schappacher, Falko M.; Pöttgen, Rainer; Schmedt auf der Günne, Jörn; Johrendt, Dirk; Huppertz, Hubert
Pressure-Induced Crystallization and Characterization of the Tin Borate β-SnB4O7
Chemistry of Materials, 2007, 19, 254
4002577 CIFMo2 O8 ZrP m n 215.87961; 7.3156; 9.13945
90; 90; 90
393.114Allen, S.; Warmingham, N.R.; Gover, R.K.B.; Evans, J.S.O.
Synthesis, structure and thermal contraction of a new low-temperature polymorph of Zr Mo2 O8
Chemistry of Materials (1,1989-), 2003, 15, 3406-3410
4003140 CIFH2 K Mg O5 PP m n 215.5672; 8.2191; 4.7841
90; 90; 90
218.908Bai, Zhiyong; Hu, Chun-Li; Liu, Lehui; Zhang, Lizhen; Huang, Yisheng; Yuan, Feifei; Lin, Zhoubin
KMg(H2O)PO4: A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO4
Chemistry of Materials, 2019, 31, 9540
4003895 CIFC2 H14 Br4 N4 PbP m n 2117.3681; 6.0644; 5.9834
90; 90; 90
630.21Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam
[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs
Chemistry of Materials, 2021
4003896 CIFC2 H14 Br4 N4 PbP m n 2117.8177; 6.0555; 6.0155
90; 90; 90
649.04Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam
[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs
Chemistry of Materials, 2021
4004080 CIFAl3 K Na2 O12 Si3P m n 2115.1422; 8.125613; 5.176215
90; 90; 90
636.88Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E.
HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility
Chemistry of Materials, 2022, 34, 7159
4020198 CIFC16 H8 S3P m n 2125.6814; 6.0774; 3.8911
90; 90; 90
607.31Wex, Brigitte; Kaafarani B. R.; Kirschbaum, Kristin; Neckers, Douglas, C.
Journal of Organic Chemistry, 2005, 70, 4502-4505
4020381 CIFC7.5 H7 N2 S0.5P m n 2118.381; 6.1799; 6.1865
90; 90; 90
702.7Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou
Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione
Journal of Organic Chemistry, 2005, 70, 8322-8326
4024112 CIFC39 H50 Cl2 S6P m n 2115.031; 12.7781; 9.6823
90; 90; 90
1859.66Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck
C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)
Journal of Organic Chemistry, 2007, 72, 6382-6389
4024654 CIFC21 H25 Cl2 N7P m n 2124.358; 6.0556; 7.4113
90; 90; 90
1093.18Yan Li; Brian O. Patrick; David Dolphin
Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex
Journal of Organic Chemistry, 2009, 74, 5237-5243
4031830 CIFC18 H10 N4 S3P m n 2120.099; 11.717; 7.027
90; 90; 90
1654.9Zhang, Junxiang; Parker, Timothy C.; Chen, Wayne; Williams, LaRita; Khrustalev, Victor N.; Jucov, Evgheni V.; Barlow, Stephen; Timofeeva, Tatiana V.; Marder, Seth R.
C-H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors.
The Journal of organic chemistry, 2016, 81, 360-370
4032475 CIFC6 N6 S3P m n 2114.218; 3.651; 7.7954
90; 90; 90
404.66Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.
The Journal of organic chemistry, 2017
4033602 CIFC4 H8 Cl F2 NP m n 216.0161; 7.0221; 7.62
90; 90; 90
321.91Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O.
Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks.
The Journal of organic chemistry, 2019, 84, 8487-8496
4038390 CIFC19 H22 Cl2 O4P m n 2114.7692; 10.2619; 5.9666
90; 90; 90
904.3Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin
CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.
The Journal of organic chemistry, 2020
4061291 CIFC47 H74 F5 N O P2 PdP m n 2114.0615; 17.1605; 9.5865
90; 90; 90
2313.2Organometallics, 2004
4062228 CIFC18 H29 Al Cl4 N O2 P RuP m n 2110.6688; 10.2497; 12.1164
90; 90; 90
1324.95Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
Organometallics, 2003, 22, 3927
4062229 CIFC18 H29 Al Cl4 N O2 Os PP m n 2110.6783; 10.2353; 12.1246
90; 90; 90
1325.17Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty
Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium
Organometallics, 2003, 22, 3927
4069386 CIFC30 H40 N2 PdP m n 2115.0554; 7.273; 11.8708
90; 90; 90
1299.83Lin, Bo-Lin; Bhattacharyya, Koyel X.; Labinger, Jay A.; Bercaw, John E.
Competitive Benzene C−H Bond Activation versus Olefin Insertion in a (Monomethyl)palladium(II) β-Diketiminate Complex
Organometallics, 2009, 28, 4400
4070439 CIFC66 H56 B Cl2 O4 P2 ReP m n 2120.2321; 8.8558; 15.6377
90; 90; 90
2801.83Elowe, Paul R.; West, Nathan M.; Labinger, Jay A.; Bercaw, John E.
Transformations of Group 7 Carbonyl Complexes: Possible Intermediates in a Homogeneous Syngas Conversion Scheme
Organometallics, 2009, 28, 6218
4071587 CIFC53 H46 Cl4 Fe2 N2 O2P m n 2128.871; 7.5729; 10.514
90; 90; 90
2298.8Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi
A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis
Organometallics, 2008, 27, 5446
4074551 CIFC23 H41 Al4 N2 P SeP m n 2115.679; 10.954; 8.5522
90; 90; 90
1468.8Han, Hua; Johnson, Samuel A.
Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes
Organometallics, 2006, 25, 5594
4077095 CIFC35 H43 F3 N2 O3 S UP m n 2113.1069; 11.9922; 10.954
90; 90; 90
1721.8Kiplinger, Jaqueline L.; John, Kevin D.; Morris, David E.; Scott, Brian L.; Burns, Carol J.
[(C5Me5)2U(Me)(OTf)]2: A New Reagent for Uranium Metallocene Chemistry. Preparation of the First Actinide Hydrazonato Complexes
Organometallics, 2002, 21, 4306
4081326 CIFC16 H32 Co O P3 SP m n 2113.3604; 9.2903; 8.6402
90; 90; 90
1072.44Niu, Qingfen; Sun, Hongjian; Li, Xiaoyan; Klein, H.-F.; Flörke, Ulrich
Synthesis and Catalytic Application in Hydrosilylation of the Complexmer-Hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(III)
Organometallics, 2013, 32, 5235
4088050 CIFC63 H67 N3 P2 YbP m n 2124.468; 15.462; 9.328
90; 90; 90
3529Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory
η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants
Organometallics, 2015, 34, 5470
4100049 CIFC16 H13 B Cl2 O2P m n 216.95; 9.08; 11.323
90; 90; 90
714.55Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
Journal of the American Chemical Society, 2005, 127, 4354-4371
4100525 CIFC17 H12 Mn2 O5P m n 2112.956; 7.105; 8.327
90; 90; 90
766.6Journal of the American Chemical Society, 2005
4102583 CIFB3 Be2 K O7P m n 217.639; 17.464; 4.376
90; 90; 90
583.8Shichao Wang; Ning Ye; Wei Li; Dan Zhao
Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals
Journal of the American Chemical Society, 2010, 132, 8779-8786
4102585 CIFB3 Be2 O7 RbP m n 217.687; 17.724; 4.393
90; 90; 90
598.5Shichao Wang; Ning Ye; Wei Li; Dan Zhao
Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals
Journal of the American Chemical Society, 2010, 132, 8779-8786
4103065 CIFC14 H19 N O2P m n 218.5842; 8.5197; 8.4723
90; 90; 90
619.62Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang
A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates
Journal of the American Chemical Society, 2010, 132, 12796-12799
4104758 CIFC38 H16P m n 2117.238; 14.184; 4.1973
90; 90; 90
1026.3Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott
Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations
Journal of the American Chemical Society, 2009, 131, 10537-10545

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