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
2210884 CIF
HKL
Paper		C12 H30 Cl2 N6 O8 ZnC m c e8.833; 17.012; 13.868
90; 90; 90		2083.9Bortoluzzi, Adailton J.; Neves, Ademir; Terra, Geovana G.
<i>trans</i>-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc(II) bis(perchlorate)
Acta Crystallographica Section E, 2006, 62, m2965-m2966
2239136 CIF
HKL		Al3 As4 K1.33 Na1.67 O16C m c e10.493; 20.395; 6.335
90; 90; 90		1355.7Bouhassine, Mohamad Alem; Boughzala, Habib
The aluminoarsenate Na~1.67~K~1.33~Al~3~(AsO~4~)~4~
Acta Crystallographica Section E, 2014, 70, i6
2241207 CIF
HKL		C22 H44 Cu2 I2 N4C m c e18.718; 8.4175; 17.074
90; 90; 90		2690.2Barth, Eva Rebecca; Golz, Christopher; Strohmann, Carsten
Crystal structure of di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ^2^<i>N</i>,<i>N</i>']copper(I)}
Acta Crystallographica Section E, 2015, 71, m193-m194
2241323 CIF
HKL		C16 H20 Cl4 Co N2 O2C m c e19.4605; 15.5108; 13.7374
90; 90; 90		4146.6Thairiyaraja, Manickam; Elangovan, Arumugam; Shanmugam, Ramasamy; Selvaraju, Kuthambalam; Thamotharan, Subbiah
Crystal structure of bis(4-acetylanilinium) tetrachloridocobaltate(II)
Acta Crystallographica Section E, 2015, 71, m221-m222
2241362 CIF
HKL		C16 H20 Cl4 Hg N2 O2C m c e19.9231; 15.3515; 13.7587
90; 90; 90		4208.1Thairiyaraja, Manickam; Elangovan, Arumugam; Arivazhagan, Ganesh; Selvaraju, Kuthambalam; Thamotharan, Subbiah
Crystal structure of bis(4-acetylanilinium) tetrachloridomercurate(II)
Acta Crystallographica Section E, 2015, 71, m236-m237
2243601 CIF
HKL
Paper		C8 H24 O9 SrC m c e6.8801; 19.752; 23.2734
90; 90; 90		3162.8Samolová, Erika; Fábry, Jan
Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]
Acta Crystallographica Section E, 2020, 76, 1684-1688
2300670 CIF
HKL		C42 H28C m c e26.7958; 7.1586; 14.1598
90; 90; 90		2716.1Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob
Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector
Journal of Applied Crystallography, 2020, 53, 635
2311296 CIFH14.5 K5.5 Mo6 O30 PtC m c e16.8552; 22.7112; 15.5503
90; 90; 90		5952.7Joo, Hea-Chung; Park, Ki-Min; Lee, Uk
Crystal structure of undeca-potassium bis-[α-hemi-penta-hydrogen hexa-molybdoplatinate(IV)] dodeca-hydrate.
Acta crystallographica. Section E, Crystallographic communications, 2015, 71, 986-988
2311604 CIF
Paper		C12 H40 Cl10 N4 Ni3C m c e6.9132; 23.9825; 17.3695
90; 90; 90		2879.79Talley, Allison; Kelley, Annette F.; Bond, Marcus R.
Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type.
Acta crystallographica. Section C, Crystal structure communications, 2011, 67, m395-9
2311605 CIF
Paper		C12 H40 Cl10 N4 Ni3C m c e6.9786; 24.0608; 17.4131
90; 90; 90		2923.85Talley, Allison; Kelley, Annette F.; Bond, Marcus R.
Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type.
Acta crystallographica. Section C, Crystal structure communications, 2011, 67, m395-9
2312005 CIF
Paper		C42 H28C m c e26.7972; 7.1617; 14.194
90; 90; 90		2724.02Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.
Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ
Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312006 CIF
Paper		C42 H28C m c e26.8106; 7.1602; 14.2029
90; 90; 90		2726.52Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.
Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ
Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312007 CIF
Paper		C42 H28C m c e26.8106; 7.1602; 14.2029
90; 90; 90		2726.52Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.
Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ
Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312008 CIF
Paper		C42 H28C m c e26.8106; 7.1602; 14.2029
90; 90; 90		2726.52Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.
Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ
Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312009 CIF
Paper		C42 H28C m c e26.8106; 7.1602; 14.2029
90; 90; 90		2726.52Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.
Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ
Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
3500052 CIFF10 Ga2 H2 O Sr2C m c e7.79236; 19.6501; 10.6869
90; 90; 90		1636.39Armel Le Bail
Sr2Ga2F10.H2O isostructural with Sr2Fe2F10.H2O
Personal communication to COD, 2016
3500053 CIFCr2 F10 H2 O Sr2C m c e7.773; 19.7953; 10.7228
90; 90; 90		1649.91Armel Le Bail
Sr2Cr2F10.H2O isostructural with Sr2Fe2F10.H2O
Personal communication to COD, 2016
4024348 CIFC8 H14 B NC m c e6.9875; 15.011; 16.556
90; 90; 90		1736.5Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov
1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds
Journal of Organic Chemistry, 2009, 74, 1709-1720
4029484 CIFC16 H24 Ag F6 PC m c e10.839; 15.667; 21.444
90; 90; 90		3641.5Bera, Milan; Roy, Sujit
Silver(I)-catalyzed dual activation of propargylic alcohol and aziridine/azetidine: triggering ring-opening and endo-selective ring-closing in a cascade.
The Journal of organic chemistry, 2009, 74, 8814-8817
4077799 CIFC24 H42 Si2 TiC m c e14.087; 11.5738; 16.137
90; 90; 90		2631Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel
Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene
Organometallics, 1999, 18, 3572
4083477 CIFC18 H20 N4 SiC m c e19.2611; 12.5501; 14.35
90; 90; 90		3468.8Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning
Reactivity of SiMe3- and SnR3-Functionalized Bis(7-azaindol-1-yl)methane with [PtR2(μ-SMe2)]n(R = Me, Ph) and the Resulting Pt(II) and Pt(IV) Complexes
Organometallics, 2009, 28, 2572
4088774 CIFC8 H22 Mn N2C m c e10.9462; 11.8486; 17.7478
90; 90; 90		2301.8Stalzer, Madelyn M.; Telser, Joshua; Krzystek, Jurek; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry
Organometallics, 2016, 35, 2683
4089492 CIFC80 H88 Cl8 N16 Ni4 O8 S4C m c e17.979; 31.232; 15.858
90; 90; 90		8905Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang
NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer
Organometallics, 2013, 32, 3493
4103088 CIFK10 O134 P12 U20C m c e29.819; 27.014; 26.777
90; 90; 90		21570Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns
Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters
Journal of the American Chemical Society, 2010, 132, 13395-13402
4108267 CIFC436 H556 Cu24 N28 O168C m c e44.289; 39.49; 37.176
90; 90; 90		65020Hiroyasu 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
4122974 CIFC168 H104 Cu8 N24 O56C m c e23.524; 31.791; 48.797
90; 90; 90		36493Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai
Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units.
Journal of the American Chemical Society, 2014, 141120112955009
4123606 CIFC42 H36 N2 O6C m c e26.038; 17.781; 15.709
90; 90; 90		7273Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi
Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.
Journal of the American Chemical Society, 2015, 137, 6436-6439
4123610 CIFC42.1 H36.1 Cl0.3 N2 O6C m c e26.2108; 17.8309; 15.8034
90; 90; 90		7385.91Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi
Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.
Journal of the American Chemical Society, 2015, 137, 6436-6439
4128537 CIFC8 H24 Br7 Cs N2 Pb2C m c e39.75; 8.2718; 8.2733
90; 90; 90		2720.3Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua
Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.
Journal of the American Chemical Society, 2019, 141, 3812-3816
4128901 CIFC32 H161 Mo4 N16 O117 P3 W26C m c e21.7592; 26.906; 25.728
90; 90; 90		15063Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy
Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.
Journal of the American Chemical Society, 2019, 141, 13479-13486
4129268 CIFC46 H104 Fe2 N2 P8 S2C m c e18.9951; 15.3883; 20.0151
90; 90; 90		5850.5Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz
Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.
Journal of the American Chemical Society, 2014, 136, 14560-14569
4130177 CIFC106 H70 N26 O24 S3 Zn9.5C m c e26.0154; 70.791; 43.7088
90; 90; 90		80497Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai
Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.
Journal of the American Chemical Society, 2016, 138, 5299-5307
4130434 CIFC43 H39 As2 B2 Cl F14 N3 O RhC m c e26.977; 14.654; 23.39
90; 90; 90		9247Dube, Jonathan W.; Zheng, Yiying; Thiel, Walter; Alcarazo, Manuel
α-Cationic Arsines: Synthesis, Structure, Reactivity, and Applications.
Journal of the American Chemical Society, 2016, 138, 6869-6877
4133136 CIFC32 H22 N2 O8 S4 Zn2C m c e16.408; 9.176; 22.573
90; 90; 90		3398.6Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.
Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.
Journal of the American Chemical Society, 2018, 140, 15572-15576
4133881 CIFC18 H26 Co F6 PC m c e13.171; 11.3315; 12.6496
90; 90; 90		1887.92Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing
Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.
Journal of the American Chemical Society, 2019
4134109 CIFC10 H36 Br10 N4 Sn3C m c e8.3285; 51.1418; 8.3709
90; 90; 90		3565.5Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua
A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.
Journal of the American Chemical Society, 2020, 142, 1159-1163
4134610 CIFC24 H15 N3 O6C m c e30.91; 27.384; 20.633
90; 90; 90		17464.6Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu
Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.
Journal of the American Chemical Society, 2020
4134823 CIFC84 H154 O24 Si14 UC m c e18.9919; 25.2308; 21.8579
90; 90; 90		10473.9Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.
Uranyl oxo silylation promoted by silsesquioxane coordination.
Journal of the American Chemical Society, 2020
4134995 CIFC6 H12 F2 I NC m c e10.3925; 8.0781; 23.3552
90; 90; 90		1960.7Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen
Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.
Journal of the American Chemical Society, 2020, 142, 10212-10218
4305049 CIFBa21 Cd4 Sb18C m c e18.191; 19.103; 37.062
90; 90; 90		12879Sheng-Qing Xia; Svilen Bobev
Zintl Phase Variations Through Cation Selection. Synthesis and Structure of A21Cd4Pn18 (A = Eu, Sr, Ba; Pn = Sb, Bi)
Inorganic Chemistry, 2008, 47, 1919-1921
4305774 CIFC14 H24 N6 Na2C m c e13.2652; 15.2401; 8.3637
90; 90; 90		1690.83Mark S. Denning; Mark Irwin; Jose M. Goicoechea
Synthesis and Characterization of the 4,4'-Bipyridyl Dianion and Radical Monoanion. A Structural Study
Inorganic Chemistry, 2008, 47, 6118-6120
4310026 CIFC14 H18 Cu N16C m c e6.818; 16.535; 15.868
90; 90; 90		1788.9Shuichi Suzuki; Yasushi Morita; Kozo Fukui; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Kazuhiro Nakasuji
Hexaazaphenalenyl Anion Revisited: A Highly Symmetric Planar π System with Multiple-Networking Ability for Self-Assembled Metal Complexation
Inorganic Chemistry, 2005, 44, 8197-8199
4315443 CIFC20 H30 FeC m c e15.0905; 11.4741; 9.9484
90; 90; 90		1722.6Anna M. Makal; Damian Plażuk; Janusz Zakrzewski; Bogusław Misterkiewicz; Krzysztof Woźniak
Experimental Charge Density Analysis of Symmetrically Substituted Ferrocene Derivatives
Inorganic Chemistry, 2010, 49, 4046-4059
4319111 CIFC Cl F4 IC m c e6.898; 7.31; 20.127
90; 90; 90		1014.9Rolf Minkwitz; Michael Berkei
Crystal Structure of CF3I(Cl)F
Inorganic Chemistry, 2001, 40, 36-38
4320880 CIFC40 H80 Cl4 N6 Re6 S8C m c e19.56; 16.257; 19.05
90; 90; 90		6058Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; Shoji Ishizaka; Haeng-Boo Kim; Noboru Kitamura
Emission and Metal- and Ligand-Centered-Redox Characteristics of the Hexarhenium(III) Clusters trans- and cis-[Re6(μ3-S)8Cl4(L)2]2-, Where L Is a Pyridine Derivative or Pyrazine
Inorganic Chemistry, 2000, 39, 1765-1772
4322347 CIFC Cl2 F3 IC m c e6.99; 7.985; 21.177
90; 90; 90		1182Rolf Minkwitz; Michael Berkei
A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride
Inorganic Chemistry, 1999, 38, 5041-5044
4333131 CIFC14 H8 N2 O6 Re2C m c e15.577; 16.197; 12.805
90; 90; 90		3230.7Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura
Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands
Inorganic Chemistry, 2006, 45, 10909-10921
4344633 CIFB3 Ga2 H O8C m c e10.507; 7.436; 10.773
90; 90; 90		841.7Vitzthum, Daniela; Schauperl, Michael; Strabler, Christof M.; Brüggeller, Peter; Liedl, Klaus R.; Griesser, Ulrich J.; Huppertz, Hubert
New High-Pressure Gallium Borate Ga2B3O7(OH) with Photocatalytic Activity.
Inorganic chemistry, 2016, 55, 676-681
4345048 CIFC24 H38 Cl4 F12 N8 O5 TmC m c e25.5559; 18.5893; 18.6003
90; 90; 90		8836.4Srivastava, Kriti; Weitz, Evan A.; Peterson, Katie L.; Marjańska, Małgorzata; Pierre, Valérie C
Fe- and Ln-DOTAm-F12 Are Effective Paramagnetic Fluorine Contrast Agents for MRI in Water and Blood.
Inorganic chemistry, 2017, 56, 1546-1557
4345512 CIFC60 Cd4 N36 P4C m c e17.056; 16.624; 17.063
90; 90; 90		4838Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong
Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.
Inorganic chemistry, 2017, 56, 3238-3244

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