Crystallography Open Database

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1000280 CIFLa2 O2 S2C m c e13.215; 5.943; 5.938
90; 90; 90		466.4Ostorero, J; Leblanc, M
Room temperature structure of La~2~O~2~S~2~
Acta Crystallographica C (39,1983-), 1990, 46, 1376-1378
1008873 CIFAs6 K6 Na4 Sn2C m c e20.435; 6.82; 15.351
90; 90; 90		2139.4Eisenmann, B; Klein, J
Dimere Zintl-Anionen (Sn2 As6)10- und (Sn2 Sb6)10- in Alkaliverbindungen
Zeitschrift fuer Kristallographie (149,1979-), 1991, 196, 213-229
1529677 CIFF6 Na4 O8 S2 Sb2C m c e15.11; 7.155; 11.05
90; 90; 90		1194.64Bonnet, B.; Fourcade, R.; Ducourant, M.B.; Mascherpa, G.
Sur un complexe bidendate ponte entre le sulfate de sodium et le trifluorure d'antimoine
Revue de Chimie Minerale, 1980, 17, 88-95
1539914 CIFCu2 Na6 O6C m c e10.948; 12.036; 16.381
90; 90; 90		2158.53Bukovec, N.; Leban, I.; Hoppe, R.
Zur Kenntnis von Na6 Cu2 O6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 563, 79-86
1540502 CIFAl As3 Ba3C m c e19.854; 6.8636; 13.2849
90; 90; 90		1810.3Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen
Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)
Crystals, 2015, 5, 433
1540504 CIFAl Ba3 P3C m c e19.3572; 6.7433; 12.9707
90; 90; 90		1693.1Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen
Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)
Crystals, 2015, 5, 433
1540505 CIFGa P3 Sr3C m c e18.787; 6.3867; 12.403
90; 90; 90		1488.2Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen
Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)
Crystals, 2015, 5, 433
1540506 CIFAl As3 Sr3C m c e19.149; 6.5652; 12.6871
90; 90; 90		1595Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen
Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)
Crystals, 2015, 5, 433
1540869 CIFLa2 Ni3C m c e5.1138; 9.7316; 7.9075
90; 90; 90		393.52van Vucht, J.H.N.; Buschow, K.H.J.
The crystal structure of La2 Ni3
Journal of the Less-Common Metals, 1976, 46, 133-138
1541163 CIFCu0.75 La1.85 O3.92 Sr0.15 Zn0.25C m c e5.3466; 13.0864; 5.398
90; 90; 90		377.686Remschnig, K.; Rogl, P.; Gratz, E.; Fischer, P.; Mueller, H.
Neutron and low temperature x-ray powder diffraction and thermal expansion measurements on La1.85 Sr.15 Cu1-x Znx O4-y
Physica C (Amsterdam), 1989, 158, 458-464
1541512 CIFH610 Mo141.118 Na6.93 O730C m c e48.5117; 38.0033; 45.4473
90; 90; 90		83786.9Mueller, A.; Schmidtmann, M.; Beugholt, C.; Koop, M.; Das, S.K.; Boegge, H.
Facile and optimized synthesis and structures of crystalline molybdenum blue compounds including one with an interesting high degree of defects: Na26 (Mo142 O432 (H2 O)58 * ca. 300 (H2 O) and Na16 ((Mo3)176 (H2 O)63 (C H3 O H)17 H16) * ca. 6000 )H2 O) * 6(C H3 O H)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1960-1962
1541876 CIFBa4 O30 Ti13C m c e17.062; 9.862; 14.051
90; 90; 90		2364.3Tillmanns, E.
Tetrabarium tridecatitanate, Ba4 Ti13 O30
Crystal Structure Communications, 1982, 11, 2087-2092
1542127 CIFH4 N O3 PC m c e10.4; 10.8; 12.75
90; 90; 90		1432.08Ketelaar, J.A.A.; MacGillavry, C.H.
Crystal structure of ammonium tetrametaphosphate
Nature (London), 1949, 164, 960-961
1551371 CIFCs11 F12 K5 Mn2 Na2 O128 W34C m c e17.983; 18.413; 22.333
90; 90; 90		7395Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann
Real-time molecular scale observation of crystal formation
Nature Chemistry, 2017, 9, 369-373
1553587 CIFC12 H11 I N2 O2C m c e6.9379; 19.798; 17.773
90; 90; 90		2441.2He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua
Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position
Organic Chemistry Frontiers, 2017, 4, 1046
1554620 CIFC24 H38 F6 Fe P Ru S3C m c e15.867; 20.073; 18.513
90; 90; 90		5896.4Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping
Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions
Catalysis Science & Technology, 2019, 9, 6492
1555255 CIFC12 H14 B2 F8 Fe N6 O2C m c e7.243; 12.882; 23.908
90; 90; 90		2230.7Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez
A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout.
Chemical science, 2019, 10, 6612-6616
1556459 CIFC63 H75 Gd I2 N4 P2C m c e26.77; 18.9186; 22.445
90; 90; 90		11367.3Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.
Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides
Inorganics, 2013, 1, 46-69
1556546 CIFC10 H22 O5 Si2C m c e10.1476; 20.7484; 6.7022
90; 90; 90		1411.12Kahr, J.; Belaj, F.; Pietschnig, R.
Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol
Inorganics, 2017, 5, 66
1556806 CIFC42 H28C m c e26.7965; 7.1599; 14.1519
90; 90; 90		2715.19Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt
Quantitative analysis of intermolecular interactions in orthorhombic rubrene.
IUCrJ, 2015, 2, 563-574
1556807 CIFC42 H28C m c e26.8106; 7.1602; 14.2029
90; 90; 90		2726.52Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt
Quantitative analysis of intermolecular interactions in orthorhombic rubrene.
IUCrJ, 2015, 2, 563-574
1556821 CIFC20 H30 FeC m c e15.0905; 11.4741; 9.9484
90; 90; 90		1722.6Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof
Yes, one can obtain better quality structures from routine X-ray data collection.
IUCrJ, 2016, 3, 61-70
1556822 CIFC20 H30 FeC m c e15.0905; 11.4741; 9.9484
90; 90; 90		1722.6Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof
Yes, one can obtain better quality structures from routine X-ray data collection.
IUCrJ, 2016, 3, 61-70
1556823 CIFC20 H30 FeC m c e15.119; 11.492; 9.967
90; 90; 90		1731.7Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof
Yes, one can obtain better quality structures from routine X-ray data collection.
IUCrJ, 2016, 3, 61-70
1557416 CIFAl H4 Mn O7 PC m c e6.9263; 10.4356; 13.523
90; 90; 90		977.44Gatta, G.D.; Nenert, G.; Vignola, P.
Coexisting hydroxyl gourd and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O
American Mineralogist, 2013, 98, 1297-1301
1558324 CIFC26 H16 Co N14 S2C m c e20.881; 14.7201; 8.7578
90; 90; 90		2691.9Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang
Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene
Chemical Science, 2020
1560747 CIFC3 H10 Co O8 P2 SrC m c e17.4975; 7.9423; 15.168
90; 90; 90		2107.9Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru
Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)
Journal of Solid State Chemistry, 2018, 268, 115-122
1561040 CIFC19 H15 Cu2 N3 O9C m c e26.9594; 12.0086; 12.8839
90; 90; 90		4171.1Zhai, Bin; Song, Li-Li; Wang, Wen-Jing; Li, Zhong-Yi; Li, Su-Zhi; Zhang, Fu-Li; Zhang, Chi; Zang, Yun-Bo
Structures and magnetic properties of 3D manganese(II)- and 2D pillar-layered copper(II)-organic framework derived from mixed carboxylate ligands
Journal of Solid State Chemistry, 2018, 264, 29-34
1561295 CIFC8 H21 N O4 SC m c e18.781; 8.548; 16.228
90; 90; 90		2605.2Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Markiewicz, Ewa; Hilczer, Bożena; Pietraszko, Adam
Structure, dielectric and electric properties of diisobutylammonium hydrogen sulfate crystal
Journal of Solid State Chemistry, 2018, 258, 753-761
1562241 CIFCd Cl I O3C m c e7.293; 16.041; 7.207
90; 90; 90		843.1Yang, Bing-Ping; Mao, Jiang-Gao
Synthesis, crystal structure and optical properties of two new layered cadmium iodates: Cd(IO3)X (X=Cl, OH)
Journal of Solid State Chemistry, 2014, 219, 185-190
1562365 CIFB K1.78 Na1.22 O14 Si4 UC m c e15.5471; 14.3403; 11.7315
90; 90; 90		2615.5Pace, Kristen A.; Klepov, Vladislav V.; Smith, Mark D.; Williams, Travis; Morrison, Gregory; Lauterbach, Jochen A.; Misture, Scott T.; zur Loye, Hans-Conrad
Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate
Inorganics, 2021, 9, 25
1563129 CIFMn3 O8 V2C m c e6.259529; 11.7254; 8.493747
90; 90; 90		623.403Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp
New phases in the system LiMnVO4–Mn3(VO4)2
Journal of Solid State Chemistry, 2011, 184, 2640-2647
1563140 CIFC121.57 H111.15 B Cl7.15 F24 N O12C m c e34.824; 30.1; 26.489
90; 90; 90		27766DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine
An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes
Chemical Science, 2021
1566214 CIFAs2 Mn S5 Tl2C m c e15.328; 7.662; 16.633
90; 90; 90		1953.4Anatoly V. Kasatkin; Jakub Plasil; Emil Makovicky; Nikita V. Chukanov; Radek Skoda; Atali A. Agakhanov; Sergey Y. Stepanov; Roman S. Palamarchuk
Auerbakhite, MnTl2As2S5, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia
Journal of GeoSciences, 2021, 66, 89-96
1567999 CIFC20 H30 Cu3 N6 Na O4 S6C m c e19.568; 10.61; 30.314
90; 90; 90		6294Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Chemical science, 2023, 14, 266-276
1570179 CIFC72 F8 I4C m c e24.9493; 17.2771; 10.1867
90; 90; 90		4390.99Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav
Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.
Chemical science, 2023, 14, 13031-13041
1570207 CIFC23.38 H16 Cu1.23 O7.38C m c e32.415; 23.5559; 16.0326
90; 90; 90		12241.9Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel
Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Chemical science, 2023, 14, 12984-12994
2001632 CIF
Paper		C8 H8 O4 Re S4C m c e10.107; 12.359; 20.861
90; 90; 90		2606Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M.
Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~
Acta Crystallographica Section C, 1993, 49, 1187-1189
2002043 CIF
Paper		C7 F5 NC m c e7.611; 9.427; 18.603
90; 90; 90		1334.7Lentz, D.; Preugschat, D.
Structure of pentafluorophenyl isocyanide at 115 K
Acta Crystallographica Section C, 1993, 49, 52-54
2009767 CIF
Paper		Cl6 H12 N4 Pt SnC m c e11.701; 11.067; 10.55
90; 90; 90		1366.2Garnier, E.; El Mouahid, A.; Černák, J.
Tetraammineplatinum(II) hexachlorostannate(IV), [Pt(NH~3~)~4~][SnCl~6~]
Acta Crystallographica Section C, 1994, 50, 845-847
2020369 CIFAg H K N2 O4.5C m c e25.715; 12.857; 6.787
90; 90; 90		2243.9Okamura, Y.; Ishihara, M.; Ohba, S.; Saito, Y.
Structure of tetrapotassium trisilver heptanitrite and potassium silver dinitrite hemihydrate
Acta Crystallographica C (39,1983-), 1989, 45, 353-356
2020636 CIFBa Ge2 O5C m c e5.5632; 9.8711; 14.3231
90; 90; 90		786.55Ozima, M.
Structure of high-pressure phases of barium germanium oxide, BaGe~2~O~5~
Acta Crystallographica, Section C: Crystal Structure Communications, 1985, 41, 1003-1007
2022312 CIF
HKL
Paper		Al3 Ce2 Ge4C m c e6.0581; 15.045; 7.94
90; 90; 90		723.7Tobash, Paul; Bobev, Svilen
The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data
Acta Crystallographica Section C, 2021, 77, 81-83
2022534 CIF
HKL
Paper		C11 H19 Cl N4 Ni O2C m c e14.3402; 14.2577; 13.1777
90; 90; 90		2694.3Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A.
Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction
Acta Crystallographica Section C Structural Chemistry, 2022, 78
2102498 CIF
Paper		Ir MgC m c e18.46948; 16.1745; 16.82131
90; 90; 90		5025.11Cerný, Radovan; Renaudin, Guillaume; Favre-Nicolin, Vincent; Hlukhyy, Viktor; Pöttgen, Rainer
Mg~1+<i>x~</i>Ir~1{-~<i>x</i>} (<i>x</i> = 0, 0.037 and 0.054), a binary intermetallic compound with a new orthorhombic structure type determined from powder and single-crystal X-ray diffraction
Acta Crystallographica Section B, 2004, 60, 272-281
2107307 CIFAs4 Eu5C m c e15.802; 8.021; 8.058
90; 90; 90		1021.33Wang, Y.; Gabe, E.J.; Taylor, J.B.; Calvert, L.D.
Structure of europium arsenide Eu5 As4: A more symmetrical version of the Sm5 Ge4-type structure
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1962-1965
2107358 CIFMg2 Na2 O15 Si6C m c e14.165; 17.59; 10.205
90; 90; 90		2542.7Cradwick, M.E.; Taylor, H.F.W.
The crystal structure of Na2 Mg2 Si6 O15
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3583-3587
2107458 CIF
Paper		C15 H16 N2 O3C m c e19.638; 4.8378; 28.856
90; 90; 90		2741.5Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.
Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine
Acta Crystallographica Section B, 2016, 72, 39-50
2107459 CIF
Paper		C15 H16 N2 O3C m c e19.705; 4.847; 28.891
90; 90; 90		2759.4Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.
Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine
Acta Crystallographica Section B, 2016, 72, 39-50
2205693 CIF
Paper		As4 Fe3 K3 O16C m c e10.898; 21.521; 6.623
90; 90; 90		1553.3Ouerfelli, Najoua; Zid, Mohamed Faouzi; Jouini, Tahar
Composé à charpente bidimensionnelle K~3~Fe~3~(AsO~4~)~4~
Acta Crystallographica, Section E, 2005, 61, i67-i69

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