Crystallography Open Database
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Searching space group like 'P n 21 a'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2100005 | CIF HKL Paper | C6 H11 N O2 | P n 21 a | 10.8548; 9.752; 6.1152 90; 90; 90 | 647.331 | Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid Acta Crystallographica Section B, 2005, 61, 96-102 |
2100787 | CIF Paper | C11 H12 N4 O2 S | P n 21 a | 14.474; 21.953; 8.203 90; 90; 90 | 2606.5 | Caria, M. R.; Mohamed, R. Positive indentification of two orthorhombic polymorphs of sulfamerazine (C~11~H~12~N~4~O~2~S), their thermal analyses and structural comparison Acta Crystallographica Section B, 1992, 48, 492-498 |
2101103 | CIF Paper | Al28 Mn11 | P n 21 a | 14.837; 12.457; 12.505 90; 90; 90 | 2311.2 | Shi, N. C.; Li, X. Z.; Ma, Z. S.; Kuo, K. H. Crystalline phases related to a decagonal quasicrystal. I. A single-crystal X-ray diffraction study of the orthorhombic Al~3~Mn phase Acta Crystallographica Section B, 1994, 50, 22-30 |
2101607 | CIF Paper | C5 Ca Cl2 D15 N O4 | P n 21 a | 10.905; 10; 10.8 90; 90; 90 | 1177.7 | Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M. Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate Acta Crystallographica Section B, 1996, 52, 810-816 |
2105588 | CIF Paper | C5 H6 O S2 | P n 21 a | 19.513; 8.083; 4.046 90; 90; 90 | 638.1 | Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C. Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents Acta Crystallographica Section B, 1999, 55, 963-974 |
2105658 | CIF Paper | Br4 Cs2 Hg | P n 21 a | 10.27; 7.946; 13.935 90; 90; 90 | 1137.2 | Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases Acta Crystallographica Section B, 1998, 54, 197-203 |
2106202 | CIF | Cl3 O P | P n 21 a | 9.185; 9.326; 5.749 90; 90; 90 | 492.455 | Olie, K. The crystal structure of P O Cl3 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1459-1460 |
2106459 | CIF | F5 Fe K2 | P n 21 a | 20.39; 7.399; 12.84 90; 90; 90 | 1937.11 | Vlasse, M.; Matejka, G.; Tressaud, A.; Wanklyn, B.M. The crystal structure of K2 Fe F5 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3377-3380 |
2107391 | CIF | Cd1.3332 Na0.3333 O3.9996 V0.9999 | P n 21 a | 9.82; 7.04; 5.36 90; 90; 90 | 370.552 | Ben Amara, M.; Vlasse, M.; Olazcuaga, R.; le Flem, G. The Crystal Structure of Cadmium Sodium Orthovanadate Cd4 Na (V O4)3 Acta Crystallographica B (24,1968-38,1982), 1979, 35, 50-52 |
2202287 | CIF HKL Paper | Gd3 Nb O4 S3 | P n 21 a | 6.6451; 7.5873; 14.1809 90; 90; 90 | 714.98 | Kabbour, Houria; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain A gadolinium and niobium oxide sulfide, Gd~3~NbS~3~O~4~ Acta Crystallographica Section E, 2003, 59, i101-i102 |
2202464 | CIF Paper | C14 H12 Cl N O2 | P n 21 a | 6.409; 13.062; 14.842 90; 90; 90 | 1242.5 | Savarimuthu Francis; Packianathan Thomas Muthiah; Galmari Venkatachalam; Rengan Ramesh 2-Chloro-(3-methoxysalicylidene)aniline Acta Crystallographica Section E, 2003, 59, o1045-o1047 |
2208487 | CIF HKL Paper | C10 H10 N2 O S | P n 21 a | 7.181; 7.75; 17.994 90; 90; 90 | 1001.4 | Hökelek, Tuncer; Seferoğlu, Zeynel; Ertan, Nermin 2-Amino-4-(4-methoxyphenyl)-1,3-thiazole Acta Crystallographica Section E, 2006, 62, o1609-o1611 |
2210964 | CIF Paper | C18 H21 F2 N3 | P n 21 a | 13.28; 13.02; 9.444 90; 90; 90 | 1632.92 | Latreche, Saida; Bouchemma, Ahcene; Bouacida, Sofiane; Mousser, Henia; Mousser, Abdelhamid 3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane Acta Crystallographica Section E, 2006, 62, o4960-o4962 |
2213444 | CIF HKL Paper | C21 H19 N O3 | P n 21 a | 7.6026; 14.7425; 15.6862 90; 90; 90 | 1758.13 | Abdelmalek Bouraiou; Ali Belfaitah; Sofiane Bouacida; Patricia Benard-Rocherulle; Bertrand Carboni (<i>E</i>)-3-(2-Ethoxyquinolin-3-yl)-1-(2-hydroxy-6-methylphenyl)prop-2-en-1-one Acta Crystallographica Section E, 2007, 63, o2133-o2135 |
2215730 | CIF HKL Paper | C17 H13 Cl N2 Ni O S | P n 21 a | 28.717; 11.5393; 4.666 90; 90; 90 | 1546.2 | Das, Purak; Biswas, Achintesh Narayan Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>}nickel(II) Acta Crystallographica Section E, 2007, 63, m2740-m2740 |
2230219 | CIF HKL Paper | C17 H26 O | P n 21 a | 17.6364; 29.0183; 11.6701 90; 90; 90 | 5972.5 | Faust, Rüdiger; Nauroozi, Djawed; Bruhn, Clemens; Koch, Britta; Kuhlich, Paul; Piechotta, Christian; Nehls, Irene (3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN Acta Crystallographica Section E, 2011, 67, o1462-o1463 |
2238720 | CIF Paper | C25 H32 N4 O4 | P n 21 a | 38.8025; 9.7675; 6.09571 90; 90; 90 | 2310.29 | Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane Acta Crystallographica Section E, 2013, 69, o1669 |
2300267 | CIF | C2 D11 N O2 | P n 21 a | 12.70615; 8.84589; 4.73876 90; 90; 90 | 532.623 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2010, 43, 328-336 |
2300269 | CIF | C2 D11 N O2 | P n 21 a | 12.90413; 8.96975; 4.79198 90; 90; 90 | 554.656 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2010, 43, 328-336 |
4002341 | CIF | Mn3 Na4 O15 P4 | P n 21 a | 17.991; 6.648; 10.765 90; 90; 90 | 1287.54 | Sanz, F.; Parada, C.; Rojo, J.M.; Ruiz-Valero, C. Synthesis, structural characterization, magnetic properties, and ionic conductivity of Na4 M(II)3 (P O4)2 (P2 O7) (M(II) = Mn, Co, Ni) Chemistry of Materials (1,1989-), 2001, 13, 1334-1340 |
4023908 | CIF | C31 H26 Cl3 N S2 | P n 21 a | 8.9981; 13.919; 21.4328 90; 90; 90 | 2684.34 | Peng Gao; Xinliang Feng; Xiaoyin Yang; Volker Enkelmann; Martin Baumgarten; Klaus Müllen Conjugated Ladder-Type Heteroacenes Bearing Pyrrole and Thiophene Ring Units: Facile Synthesis and Characterization Journal of Organic Chemistry, 2008, 73, 9207-9213 |
4024815 | CIF | C19 H21 N O | P n 21 a | 8.3807; 8.5672; 21.6908 90; 90; 90 | 1557.38 | Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines Journal of Organic Chemistry, 2009, 74, 6735-6748 |
4028493 | CIF | C13 H17 N3 O | P n 21 a | 20.1281; 14.9938; 8.0453 90; 90; 90 | 2428 | Manman Sun; Tianshui Zhang; Weiliang Bao FeCl3-Catalyzed Cascade Cyclization in One Pot: Synthesis of Ring-Fused Tetrahydroquinoline Derivatives from Arylamines and N-Substituted Lactams Journal of Organic Chemistry, 2013, 78, 8155-8160 |
4031225 | CIF | Cl3 H17 N6 O2 Ru | P n 21 a | 11.864; 6.878; 14.192 90; 90; 90 | 1158.08 | Bottomley, F. Reinvestigation of the Crystal and Molecular Structures of Pentaamminenitrosylruthenium Trichloride Hydrate and trans-Tetra-amminehydroxonitrosylruthenium Dichloride Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1974, 1974, 1600-1605 |
4035409 | CIF | C17 H20 N2 O4 | P n 21 a | 13.6553; 20.2125; 11.5578 90; 90; 90 | 3190.04 | Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction. The Journal of organic chemistry, 2018, 83, 12722-12733 |
4036575 | CIF | C27 H26 O | P n 21 a | 20.9274; 15.0038; 6.3388 90; 90; 90 | 1990.32 | Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions. The Journal of organic chemistry, 2016, 81, 2308-2319 |
4078113 | CIF | C31 H16 O9 W3 | P n 21 a | 29.188; 10.387; 9.599 90; 90; 90 | 2910.2 | Lynch, Thomas J.; Carroll, James M.; Helvenston, Merritt C.; Tisch, Theodore L.; Rheingold, Arnold L.; Staley, Donna L.; Mahmoudkhani, Amir Trindenyl Trimolybdenum and Tritungsten Complexes: Crystal Structure of (trindenyl)[(OC)3W‒W(CO)3]W(CO)3Bn Organometallics, 2012, 31, 3300 |
4079977 | CIF | C18 H18 Cl F3 O2 Ru S | P n 21 a | 8.0583; 14.1389; 16.3291 90; 90; 90 | 1860.46 | Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation Organometallics, 2013, 32, 609 |
4082364 | CIF | C24 H29 Cl F6 Ir P S2 | P n 21 a | 13.7555; 13.7861; 14.1954 90; 90; 90 | 2691.9 | Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K. (η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation Organometallics, 2014, 33, 983 |
4087316 | CIF | C20 H39 Cr F6 N3 P Sb | P n 21 a | 9.733; 10.254; 27.719 90; 90; 90 | 2766.4 | Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L. Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement Organometallics, 2017, 36, 1227 |
4088701 | CIF | C35 H45 B F4 P Rh | P n 21 a | 21.4176; 33.1623; 9.16578 90; 90; 90 | 6510.06 | Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes Organometallics, 2016, 35, 2793 |
4089221 | CIF | C41 H31 Cl3 Ir N3 O2 | P n 21 a | 15.5975; 12.4727; 17.9014 90; 90; 90 | 3482.6 | Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications Organometallics, 2017, 36, 1331 |
4101640 | CIF | C53 H93 Co N5 O2 P3 Zr | P n 21 a | 22.3571; 23.4069; 21.3354 90; 90; 90 | 11165 | Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M. Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co. Journal of the American Chemical Society, 2010, 132, 44-45 |
4103386 | CIF | C32 N8 O15 V3 | P n 21 a | 20.4563; 15.6609; 14.4447 90; 90; 90 | 4627.6 | Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms Journal of the American Chemical Society, 2010, 132, 15277-15285 |
4113384 | CIF | C8 H14 O3 | P n 21 a | 21.185; 6.826; 5.889 90; 90; 90 | 851.6 | Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell Journal of the American Chemical Society, 2003, 125, 34-35 |
4130607 | CIF | C18 H21 N O2 | P n 21 a | 19.4469; 9.7388; 16.3359 90; 90; 90 | 3093.85 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons. Journal of the American Chemical Society, 2016, 138, 13561-13567 |
4311137 | CIF | C10 H24 Br4 Cu N2 | P n 21 a | 12.09; 8.13; 18.685 90; 90; 90 | 1836.6 | Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4 Inorganic Chemistry, 2004, 43, 3804-3811 |
4321033 | CIF | C9 H18 Se3 | P n 21 a | 14.943; 5.638; 14.229 90; 90; 90 | 1198.8 | Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian-Hua Gu; Seema Mehta; B. Mario Pinto; Xue-Min Zhou Synthesis, Characterization, and Redox Behavior of New Selenium Coronands and of Copper(I) and Copper(II) Complexes of Selenium Coronands Inorganic Chemistry, 2000, 39, 2558-2571 |
4329709 | CIF | C9 H10 Cl N3 O2 Pt | P n 21 a | 6.9452; 10.995; 13.7541 90; 90; 90 | 1050.3 | Evangelia S. Koumousi; Marianthi Zampakou; Catherine P. Raptopoulou; Vassilis Psycharis; Christine M. Beavers; Simon J. Teat; George Psomas; Theocharis C. Stamatatos First Palladium(II) and Platinum(II) Complexes from Employment of 2,6-Diacetylpyridine Dioxime: Synthesis, Structural and Spectroscopic Characterization, and Biological Evaluation Inorganic Chemistry, 2012, 51, 7699-7710 |
4335300 | CIF | C47 H26 B F24 N2 O3 Re S | P n 21 a | 16.4783; 18.237; 16.6378 90; 90; 90 | 4999.9 | Rebeca Arévalo; Julio Pérez; Lucía Riera Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand Inorganic Chemistry, 2013, 52, 6785-6787 |
4339715 | CIF | C20 H25 N5 Ni O7 | P n 21 a | 13.571; 14.106; 23.625 90; 90; 90 | 4523 | Paital, Alok Ranjan; Wong, Wing Tak; Aromí, Guillem; Ray, Debashis New [LNiII2]+ complexes incorporating 2-formyl or 2,6-diformyl-4-methyl phenol as inhibitors of the hydrolysis of the ligand L3-: Ni...Ni ferromagnetic coupling and S=2 ground states. Inorganic chemistry, 2007, 46, 5727-5733 |
4340712 | CIF | C11 H13 N3 O S4 | P n 21 a | 7.2442; 8.6309; 23.855 90; 90; 90 | 1491.5 | Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex. Inorganic chemistry, 2014, 53, 8755-8761 |
4343779 | CIF | F K O3 Xe | P n 21 a | 7.374; 6.811; 8.185 90; 90; 90 | 411.086 | Hodgson, D.J.; Ibers, J.A. The crystal and molecular structure of potassium monofluoroxenate(VI), K Xe O3 F Inorganic Chemistry, 1969, 8, 326-331 |
4349389 | CIF | B12 Cs H12 Na | P n 21 a | 12.4432; 7.6628; 12.5705 90; 90; 90 | 1198.59 | Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016 |
4349392 | CIF | B12 Cs H12 Li | P n 21 a | 12.405; 7.237; 12.101 90; 90; 90 | 1086.4 | Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na<sub>2</sub>B<sub>12</sub>H<sub>12</sub> in Close to Room Temperature Superionic Conductors. Inorganic chemistry, 2017, 56, 5006-5016 |
4501787 | CIF | C8 H12 Cl N5 O3 | P n 21 a | 28.697; 15.767; 5.108 90; 90; 90 | 2311.2 | Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction Crystal Growth & Design, 2010, 10, 3555 |
4510640 | CIF | C16 H10 Ba2 O10 | P n 21 a | 7.0587; 12.432; 19.09 90; 90; 90 | 1675.2 | Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands Crystal Growth & Design, 2013, 13, 2965 |
7002885 | CIF | C7 H4 Eu O5 P | P n 21 a | 20.3995; 7.06565; 5.45584 90; 90; 90 | 786.38 | Rueff, Jean-Michel; Barrier, Nicolas; Boudin, Sophie; Dorcet, Vincent; Caignaert, Vincent; Boullay, Philippe; Hix, Gary B.; Jaffrès, Paul-Alain Remarkable thermal stability of Eu(4-phosphonobenzoate): structure investigations and luminescence properties Dalton Transactions, 2009, 10614-10620 |
7030806 | CIF | C24 H68 N4 O76 Si36 | P n 21 a | 22.239; 14.025; 7.391 90; 90; 90 | 2305.3 | Marler, B.; Wang, Y.; Song, J.; Gies, H. Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates. Dalton transactions (Cambridge, England : 2003), 2014, 43, 10396-10416 |
7030808 | CIF | C24 H68 N4 O76 Si36 | P n 21 a | 22.281; 14; 7.383 90; 90; 90 | 2303 | Marler, B.; Wang, Y.; Song, J.; Gies, H. Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates. Dalton transactions (Cambridge, England : 2003), 2014, 43, 10396-10416 |
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