Crystallography Open Database

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Searching space group like 'P 21 c n'

COD ID: 1001389
CIF file Formula: - Cl4 Rb2 Zn -
Comments: Hedoux, A; Grebille, D; Jaud, J; Godefroy, G Structural study of the incommensurate and lock-in phases of Rb~2~ Zn Cl~4~ Acta Crystallographica B (39,1983-) 45 (1989) 370-378
Space group: P 21 c n
Cell volume: 838.5
Cell parameters: 7.23; 12.608; 9.199; 90; 90; 90;  

COD ID: 1100915
CIF file Formula: - C15 H22 O3 -
Comments: Mario Nardelli ()
Space group: P 21 c n
Cell volume: 1334
Cell parameters: 11.891; 11.954; 9.387; 90; 90; 90;  

COD ID: 1503259
CIF file Formula: - C20 H16 O2 -
Comments: Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates. Organic letters 12(21) (2010) 4904-4907
Space group: P 21 c n
Cell volume: 1558.97
Cell parameters: 6.3338; 12.6452; 19.4647; 90; 90; 90;  

COD ID: 1511498
CIF file Formula: - B4 O12 Pr2 Sr3 -
Comments: Kuznetsov, V.G.; Moruga, L.G.; Palkina, K.K. Crystal Structure of Pr2 Sr3 (B O3)4 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 14 (1973) 1053-1057
Space group: P 21 c n
Cell volume: 1068.09
Cell parameters: 16.45; 8.81; 7.37; 90; 90; 90;  

COD ID: 1529527
CIF file Formula: - Bi4 Cl Nb O8 -
Comments: Ackerman, J.F. The structures of Bi3 Pb W O8 Cl and Bi4 Nb O8 Cl and the evolution of the Bipox structure series Journal of Solid State Chemistry 62 (1986) 92-104
Space group: P 21 c n
Cell volume: 867.949
Cell parameters: 5.493; 5.496; 28.75; 90; 90; 90;  

COD ID: 1535819
CIF file Formula: - Ca1.65 O4 Si Sr0.35 -
Comments: Udagawa, S.; Urabe, K.; Takada, K.; Yano, T.; Natsume, M. Studies on the dusting of calcium silicate ( Ca2 Si O4 ). The crystal structure of alfa'(l)-Ca2 Si O4 Semento Hijutsu Nempo 33 (1979) 35-38
Space group: P 21 c n
Cell volume: 1071.03
Cell parameters: 5.566; 9.355; 20.569; 90; 90; 90;  

COD ID: 1540823
CIF file Formula: - H4 K N4 O14 Tb -
Comments: Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G. Synthesis and x-ray structural investigation of potassium terbium nitrate K (Tb (N O3)4 (H2 O)2) Kristallografiya 34 (1989) 1434-1437
Space group: P 21 c n
Cell volume: 1170.06
Cell parameters: 7.966; 11.571; 12.694; 90; 90; 90;  

COD ID: 1548484
CIF file Formula: - C49 H36 F6 Mn2 N4 O10 S2 -
Comments: Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex Scientific Reports 6 (2016) 23785
Space group: P 21 c n
Cell volume: 5099
Cell parameters: 6.613; 25.081; 30.74; 90; 90; 90;  

COD ID: 1548485
CIF file Formula: - C53 H52 F6 Mn2 N4 O12 S2 -
Comments: Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex Scientific Reports 6 (2016) 23785
Space group: P 21 c n
Cell volume: 5352.4
Cell parameters: 6.5329; 26.757; 30.62; 90; 90; 90;  

COD ID: 1556963
CIF file Formula: - C27 H37 Cl2 Cu N7 O8 -
Comments: Bu, Xian-He; Chen, Wei; Fang, Ya-Yin; Lu, Shou-Liang; Wang, Chang-Feng; Zhang, Ruo-Hua Synthesis and Crystal Structure of the Copper(II) Complex of 1-Methyl-4,7,10-(2-pyridylmethyl)-1,4,7,10-tetraazacyclododecane (L), [CuL]2+ Acta Chemica Scandinavica 52 (1998) 813-815
Space group: P 21 c n
Cell volume: 3213.5
Cell parameters: 10.175; 15.191; 20.79; 90; 90; 90;  

COD ID: 1562259
CIF file Formula: - C11 H17 La N2 O9 -
Comments: Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties Journal of Solid State Chemistry 219 (2014) 265-273
Space group: P 21 c n
Cell volume: 1469.98
Cell parameters: 8.0661; 9.9778; 18.2647; 90; 90; 90;  

COD ID: 1562260
CIF file Formula: - C11 H17 Ce N2 O9 -
Comments: Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties Journal of Solid State Chemistry 219 (2014) 265-273
Space group: P 21 c n
Cell volume: 1454.84
Cell parameters: 8.0126; 9.9537; 18.2413; 90; 90; 90;  

COD ID: 1562261
CIF file Formula: - C11 H17 N2 O9 Pr -
Comments: Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties Journal of Solid State Chemistry 219 (2014) 265-273
Space group: P 21 c n
Cell volume: 1445.83
Cell parameters: 7.9823; 9.9452; 18.2128; 90; 90; 90;  

COD ID: 1562262
CIF file Formula: - C11 H17 N2 Nd O9 -
Comments: Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties Journal of Solid State Chemistry 219 (2014) 265-273
Space group: P 21 c n
Cell volume: 1429.49
Cell parameters: 7.9419; 9.9173; 18.1495; 90; 90; 90;  

COD ID: 2001183
CIF file

Original IUCr paper

 Formula: - C16 H17 N O3 S -
Comments: Ferguson, G.; Gallagher, J. F.; Maguire, A. R.; Spalding, T. R.; Peters, G.; Morris, J. R. Structure of 1-(3-butynyl)pyridinium <i>p</i>-toluenesulfonate Acta Crystallographica Section C 49(12) (1993) 2160-2162
Space group: P 21 c n
Cell volume: 1522
Cell parameters: 7.2214; 8.0172; 26.288; 90; 90; 90;  

COD ID: 2003213
CIF file Formula: - C36 H48 Cl5 N2 P2 Re -
Comments: Masciocchi, Norberto; Moret, Massimo; Ardizzoia, G. Attilio; La Monica, Girolamo [ReCl~3~(C~8~H~11~P)~2~(C~7~H~11~N)~2~].C~6~H~4~Cl~2~ Acta Crystallographica, Section C: Crystal Structure Communications 51(2) (1995) 201-203
Space group: P 21 c n
Cell volume: 4117
Cell parameters: 9.197; 17.323; 25.841; 90; 90; 90;  

COD ID: 2003330
CIF file

Original IUCr paper

 Formula: - C9 H11 N3 O6 -
Comments: George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R. 3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~ Acta Crystallographica Section C 51(4) (1995) 703-706
Space group: P 21 c n
Cell volume: 1079.2
Cell parameters: 7.169; 10.875; 13.842; 90; 90; 90;  

COD ID: 2004862
CIF file

Original IUCr paper

 Formula: - C6 H8 O3 -
Comments: Glidewell, C.; Zakaria, C. M.; Ferguson, G. Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol) Acta Crystallographica Section C 52(5) (1996) 1305-1309
Space group: P 21 c n
Cell volume: 624.5
Cell parameters: 4.922; 7.7525; 16.3663; 90; 90; 90;  

COD ID: 2009633
CIF file

Original IUCr paper

 Formula: - C15 H22 O3 -
Comments: Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P. Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives Acta Crystallographica, Section C: Crystal Structure Communications 50(4) (1994) 569-574
Space group: P 21 c n
Cell volume: 1334
Cell parameters: 11.902; 11.952; 9.38; 90; 90; 90;  

COD ID: 2101209
CIF file

Original IUCr paper

 Formula: - C16 H22 O -
Comments: De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B 50(5) (1994) 607-616
Space group: P 21 c n
Cell volume: 1418.5
Cell parameters: 7.476; 13.093; 14.492; 90; 90; 90;  

COD ID: 2104219
CIF file

Original IUCr paper

 Formula: - C7 H14 I N5 S2 -
Comments: Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J. Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide ‒ a new ferroelectric inclusion compound Acta Crystallographica Section B 64(5) (2008) 567-572
Space group: P 21 c n
Cell volume: 1393.8
Cell parameters: 14.86; 11.291; 8.307; 90; 90; 90;  

COD ID: 2106497
CIF file Formula: - H3 N O4 -
Comments: Delaplane, R.G.; Taesler, I.; Olovsson, I. Hydrogen bond studies. XCIII. Oxonium ion in nitric acid monohydrate Acta Crystallographica B (24,1968-38,1982) 31 (1975) 1486-1489
Space group: P 21 c n
Cell volume: 294.32
Cell parameters: 5.4647; 8.6439; 6.2308; 90; 90; 90;  

COD ID: 2106903
CIF file Formula: - H4 Li N O4 S -
Comments: Dollase, W. A. N H4 Li S O4: A variant of the general tridymite structure Acta Crystallographica B (24,1968-38,1982) 25 (1969) 2298-2302
Space group: P 21 c n
Cell volume: 424.005
Cell parameters: 5.28; 9.14; 8.786; 90; 90; 90;  

COD ID: 2208749
CIF file

Original IUCr paper

 Formula: - C30 H28 N2 -
Comments: Asker, Erol; Masnovi, John Bis(9-ethylcarbazol-3-yl)ethane Acta Crystallographica Section E 62(4) (2006) o1213-o1215
Space group: P 21 c n
Cell volume: 2313.5
Cell parameters: 8.1412; 17.2919; 16.434; 90; 90; 90;  

COD ID: 2237269
CIF file

HKL data

Original IUCr paper

 Formula: - C34 H28 F12 N8 P2 Ru -
Comments: Camilo, Mariana R.; Martins, Felipe T.; Malta, Valéria R. S.; Ellena, Javier; Carlos, Rose M. <i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine-κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate) Acta Crystallographica Section E 69(2) (2013) m75-m76
Space group: P 21 c n
Cell volume: 3804.37
Cell parameters: 13.0943; 14.573; 19.9366; 90; 90; 90;  

COD ID: 2310404
CIF file Formula: - Ba H12 O9 Si -
Comments: Hoehne, E.; Dornberger-Schiff, K. Die Kristallstruktur des wasserhaltigen Bariumsilikats Ba O Si O2 (H2 O)6 Acta Crystallographica (1,1948-23,1967) 14 (1961) 1298-1298
Space group: P 21 c n
Cell volume: 1639.89
Cell parameters: 8.43; 12.96; 15.01; 90; 90; 90;  

COD ID: 4000694
CIF file Formula: - C7 H14 I N5 S2 -
Comments: Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR Chemistry of Material 12 (2000) 3561-3569
Space group: P 21 c n
Cell volume: 1396.89
Cell parameters: 14.869; 11.312; 8.305; 90; 90; 90;  

COD ID: 4000699
CIF file Formula: - C7 H14 Br N5 S2 -
Comments: Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR Chemistry of Material 12 (2000) 3561-3569
Space group: P 21 c n
Cell volume: 1314.2
Cell parameters: 14.431; 10.984; 8.291; 90; 90; 90;  

COD ID: 4031451
CIF file Formula: - D I11 Nb6 -
Comments: Fitch, A.N.; Barrett, S.A.; Fender, B.E.F.; Simon, A. Nb6 I11, D Nb6 I11 and H Nb6 I11. A powdered neutron diffraction inelastic scattering study Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1984 (1984) 501-505
Space group: P 21 c n
Cell volume: 2363.48
Cell parameters: 11.328; 15.495; 13.465; 90; 90; 90;  

COD ID: 4032042
CIF file Formula: - C25 H17 N3 -
Comments: Ion, Adrian E.; Cristian, Liliana; Voicescu, Mariana; Bangesh, Masroor; Madalan, Augustin M.; Bala, Daniela; Mihailciuc, Constantin; Nica, Simona Synthesis and properties of fluorescent 4'-azulenyl-functionalized 2,2':6',2″-terpyridines. Beilstein journal of organic chemistry 12 (2016) 1812-1825
Space group: P 21 c n
Cell volume: 1791.2
Cell parameters: 6.011; 9.5419; 31.23; 90; 90; 90;  

COD ID: 4062661
CIF file Formula: - C12 H19 Al Cl2 N2 O2 -
Comments: Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands. Organometallics (2004)
Space group: P 21 c n
Cell volume: 1571.8
Cell parameters: 8.528; 10.19; 18.087; 90; 90; 90;  

COD ID: 4062979
CIF file Formula: - C21 H12 B Cr F4 Mn O7 -
Comments: Schouteeten, Stéphanie; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Auffrant, Audrey; Stephenson, G. Richard Cationic (η6-Arene)tricarbonylmanganese Linked to Neutral (η6-Arene)tricarbonylchromium Complexes Organometallics 23(18) (2004) 4308-4316
Space group: P 21 c n
Cell volume: 2281.8
Cell parameters: 12.338; 12.704; 14.557; 90; 90; 90;  

COD ID: 4071090
CIF file Formula: - C25 H31 F6 Fe N2 P Pd -
Comments: Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph} Organometallics 27(17) (2008) 4288
Space group: P 21 c n
Cell volume: 2682
Cell parameters: 11.248; 12.039; 19.803; 90; 90; 90;  

COD ID: 4082924
CIF file Formula: - C16 H10 Mn N3 O3 -
Comments: Day, David P.; Dann, Thomas; Hughes, David. L.; Oganesyan, Vasily S.; Steverding, Dietmar; Wildgoose, Gregory G. Cymantrene‒Triazole “Click” Products: Structural Characterization and Electrochemical Properties Organometallics 33(18) (2014) 4687
Space group: P 21 c n
Cell volume: 2864.74
Cell parameters: 33.3395; 5.9474; 14.4477; 90; 90; 90;  

COD ID: 4086896
CIF file Formula: - C64 H102 Se2 Si4 Ti2 -
Comments: Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N. Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds Organometallics (2016)
Space group: P 21 c n
Cell volume: 6536.1
Cell parameters: 15.3428; 17.1917; 24.7797; 90; 90; 90;  

COD ID: 4089201
CIF file Formula: - C38 H45 Fe N P2 -
Comments: Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation Organometallics 36(7) (2017) 1238
Space group: P 21 c n
Cell volume: 3261
Cell parameters: 10.1047; 16.3099; 19.7871; 90; 90; 90;  

COD ID: 4103862
CIF file Formula: - C68 H78 N2 O2 P2 Ru -
Comments: Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes Journal of the American Chemical Society 131 (2009) 1847-1861
Space group: P 21 c n
Cell volume: 5730.98
Cell parameters: 11.753; 12.48; 39.072; 90; 90; 90;  

COD ID: 4103863
CIF file Formula: - C68 H76 N2 O2 P2 Ru -
Comments: Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes Journal of the American Chemical Society 131 (2009) 1847-1861
Space group: P 21 c n
Cell volume: 5754.63
Cell parameters: 11.601; 12.606; 39.35; 90; 90; 90;  

COD ID: 4124584
CIF file Formula: - C18 H15 Ca Fe2 N5 O8 -
Comments: Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study. Journal of the American Chemical Society 137(38) (2015) 12352-12368
Space group: P 21 c n
Cell volume: 5008.16
Cell parameters: 16.0633; 16.3836; 19.0298; 90; 90; 90;  

COD ID: 4301327
CIF file Formula: - C4 H13 Bi I5 N S -
Comments: Nicolas Louvain; Nicolas Mercier; Florent Boucher α- to β-(dmes)BiI5 (dmes = Dimethyl(2-ethylammonium)sulfonium Dication): Umbrella Reversal of Sulfonium in the Solid State and Short I...I Interchain Contacts-Crystal Structures, Optical Properties, and Theoretical Investigations of 1D Iodobismuthates Inorganic Chemistry 48 (2009) 879-888
Space group: P 21 c n
Cell volume: 1751.6
Cell parameters: 8.4752; 12.6137; 16.385; 90; 90; 90;  

COD ID: 4308346
CIF file Formula: - C12 H12 Cl4 Hg2 N2 S -
Comments: Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide Inorganic Chemistry 44 (2005) 27-39
Space group: P 21 c n
Cell volume: 1735
Cell parameters: 8.9643; 12.3703; 15.646; 90; 90; 90;  

COD ID: 4313187
CIF file Formula: - C29 H31 N O2 P2 -
Comments: Srinivasan Priya; Maravanji S. Balakrishna; Joel T. Mague; Shaikh M. Mobin Insertion of Carbon Fragments into P(III)-N Bonds in Aminophosphines and Aminobis(phosphines): Synthesis, Reactivity, and Coordination Chemistry of Resulting Phosphine Oxide Derivatives. Crystal and Molecular Structures of (Ph2P(O)CH2)2NR (R = Me,nPr,nBu), Ph2P(O)CH(OH)nPr, and cis-[MoO2Cl2{(Ph2P(O)CH2)2NEt-κO,κO}] Inorganic Chemistry 42 (2003) 1272-1281
Space group: P 21 c n
Cell volume: 2595.3
Cell parameters: 8.468; 15.126; 20.262; 90; 90; 90;  

COD ID: 4320948
CIF file Formula: - C26 H32 N2 O2 P Re S -
Comments: Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis Synthesis and Characterization of Six-Coordinate "3 + 2" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations Inorganic Chemistry 39 (2000) 2178-2184
Space group: P 21 c n
Cell volume: 2535.3
Cell parameters: 11.806; 10.067; 21.332; 90; 90; 90;  

COD ID: 4329658
CIF file Formula: - C120 H188.5 Cu8 Mn12 N24 O137.5 -
Comments: Jesús Ferrando-Soria; Thais Grancha; Jorge Pasán; Catalina Ruiz-Pérez; Laura Cañadillas-Delgado; Yves Journaux; Miguel Julve; Joan Cano; Francesc Lloret; Emilio Pardo Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders Inorganic Chemistry 51 (2012) 7019-7021
Space group: P 21 c n
Cell volume: 10188
Cell parameters: 14.47; 18.537; 37.982; 90; 90; 90;  

COD ID: 4343088
CIF file Formula: - Ca O4 Te -
Comments: Poupon, Morgane; Barrier, Nicolas; Petit, Sebastien; Clevers, Simon; Dupray, Valerie Hydrothermal Synthesis and Dehydration of CaTeO3(H2O): An Original Route to Generate New CaTeO3 Polymorphs. Inorganic chemistry 54(12) (2015) 5660-5670
Space group: P 21 c n
Cell volume: 809.665
Cell parameters: 14.78549; 6.79194; 8.06261; 90; 90; 90;  

COD ID: 4515858
CIF file Formula: - C40 H40 B N S2 -
Comments: Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls. ACS omega 3(10) (2018) 12730-12736
Space group: P 21 c n
Cell volume: 3428
Cell parameters: 8.0507; 16.79; 25.3603; 90; 90; 90;  

COD ID: 6000545
CIF file Formula: - D6 K O9 P U -
Comments: Cole, M.; Fitch, A. N.; Prince, E. Low-temperature structure of KUO2PO4.3D2O determined from combined synchrotron radiation and neutron powder diffraction measurements Journal of Materials Chemistry 3 (1993) 519-522
Space group: P 21 c n
Cell volume: 858.81
Cell parameters: 6.9931; 6.9733; 17.6113; 90; 90; 90;  

COD ID: 7000082
CIF file Formula: - C20 H32 F6 N3 Ni O3 P -
Comments: Santana, M. Dolores; Lozano, A. Abel; Garcia, Gabriel; Lopez, Gregorio; Perez, Jose Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies. Dalton transactions (Cambridge, England : 2003) (issue 1) (2005) 104-109
Space group: P 21 c n
Cell volume: 2420.5
Cell parameters: 8.334; 15.805; 18.376; 90; 90; 90;  

COD ID: 7010818
CIF file Formula: - C27 H26 Cl2 N2 O P2 Pt -
Comments: Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas Journal of the Chemical Society, Dalton Transactions (issue 19) (2001) 2724
Space group: P 21 c n
Cell volume: 2696.4
Cell parameters: 10.0447; 14.4768; 18.5427; 90; 90; 90;  

COD ID: 7012698
CIF file Formula: - C13 H12 Mn N2 O5 -
Comments: Yolanda Rodríguez-Martín; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve Crystal structures and magnetic properties of two- and three-dimensional malonato-bridged manganese(II) complexes Dalton Trans. (issue 11) (2003) 2359-2365
Space group: P 21 c n
Cell volume: 1368.4
Cell parameters: 7.254; 7.727; 24.413; 90; 90; 90;  

COD ID: 7017543
CIF file Formula: - C44 H54 F30 Na4 O31 Y2 -
Comments: Mishra, Shashank; Ledoux, Gilles; Jeanneau, Erwann; Daniele, Stéphane; Joubert, Marie-France Novel heterometal-organic complexes as first single source precursors for up-converting NaY(Ln)F(4) (Ln = Yb, Er, Tm) nanomaterials. Dalton transactions (Cambridge, England : 2003) 41(5) (2012) 1490-1502
Space group: P 21 c n
Cell volume: 7453
Cell parameters: 17.8642; 19.6674; 21.213; 90; 90; 90;  

COD ID: 7021196
CIF file Formula: - C36 H46 Ag4 Br4 N12 -
Comments: Clark, Wesley D.; Tyson, Ginger E.; Hollis, T. Keith; Valle, Henry U.; Valente, Edward J.; Oliver, Allen G.; Dukes, Matthew P. Toward molecular rotors: tetra-N-heterocyclic carbene Ag(i)-halide cubane-type clusters. Dalton transactions (Cambridge, England : 2003) 42(20) (2013) 7338-7344
Space group: P 21 c n
Cell volume: 4781.6
Cell parameters: 16.158; 16.9023; 17.5083; 90; 90; 90;  

COD ID: 7043136
CIF file Formula: - C33 H23 F15 N4 O2 -
Comments: Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions Dalton Trans. (2017)
Space group: P 21 c n
Cell volume: 3198.2
Cell parameters: 5.7081; 10; 56.029; 90; 90; 90;  

COD ID: 7050038
CIF file Formula: - C32 H34 Br2 N P Pd -
Comments: Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr New Journal of Chemistry 29(2) (2005) 385
Space group: P 21 c n
Cell volume: 2954.66
Cell parameters: 9.9766; 13.5588; 21.8426; 90; 90; 90;  

COD ID: 7055419
CIF file Formula: - C14 H9 F4 N O -
Comments: Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids New J. Chem. 40(6) (2016) 4981
Space group: P 21 c n
Cell volume: 1180.87
Cell parameters: 27.3179; 5.207; 8.3017; 90; 90; 90;  

COD ID: 7058468
CIF file Formula: - C40 H32 Cu N2 O4 -
Comments: Novoa, Néstor; Manzur, Carolina; Roisnel, Thierry; Dorcet, Vincent; Cabon, Nolwenn; Robin-Le Guen, Françoise; Ledoux-Rak, Isabelle; Kahlal, Samia; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties New Journal of Chemistry 43(26) (2019) 10468
Space group: P 21 c n
Cell volume: 3174.5
Cell parameters: 6.321; 17.7556; 28.2853; 90; 90; 90;  

COD ID: 7108966
CIF file Formula: - C14 H19 N3 O2 S -
Comments: Richard C. Knighton; Mark R. Sambrook; Jack C. Vincent; Simon A. Smith; Christopher J. Serpell; James Cookson; Matthew S. Vickers; Paul D. Beer Fluorogenic dansyl-ligated gold nanoparticles for the detection of sulfur mustard by displacement assay Chem.Commun. 49 (2013) 2293
Space group: P 21 c n
Cell volume: 1431.71
Cell parameters: 8.0889; 11.4745; 15.4252; 90; 90; 90;  

COD ID: 7116514
CIF file Formula: - C5 H5 Cl2 N O2 -
Comments: Steven J. Mansfield; Craig D. Campbell; Michael W. Jones; Edward A. Anderson A robust and modular synthesis of ynamides Chem.Commun. 51 (2015) 3316
Space group: P 21 c n
Cell volume: 725.64
Cell parameters: 5.8679; 10.425; 11.8622; 90; 90; 90;  

COD ID: 7123009
CIF file Formula: - C20 H18 N6 -
Comments: Saha, Monochura; Bandyopadhyay, Subhajit A reversible photoresponsive activity of a carbonic anhydrase mimic Chemical Communications (2019)
Space group: P 21 c n
Cell volume: 1780.4
Cell parameters: 21.6141; 5.8209; 14.151; 90; 90; 90;  

COD ID: 7151178
CIF file Formula: - C10 H14 O3 -
Comments: Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E. Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction. Organic & biomolecular chemistry 5(19) (2007) 3190-3200
Space group: P 21 c n
Cell volume: 913.95
Cell parameters: 7.119; 10.6793; 12.0216; 90; 90; 90;  

COD ID: 7152393
CIF file Formula: - C8 H4 Cl I2 N3 -
Comments: Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles. Organic & biomolecular chemistry 10(25) (2012) 4878-4885
Space group: P 21 c n
Cell volume: 1105.2
Cell parameters: 7.8011; 9.106; 15.558; 90; 90; 90;  

COD ID: 7207923
CIF file Formula: - C22 H14 O5 V -
Comments: Djerdj, Igor; Popović, Jasminka; Stare, Jernej; Ambrožič, Gabriela; Škapin, Srečo D.; Kozlevčar, Bojan; Pajić, Damir; Jagličić, Zvonko; Orel, Zorica Crnjak Nanocrystalline hybrid inorganic‒organic one-dimensional chain systems tailored with 2- and 3-phenyl ring monocarboxylic acids Journal of Materials Chemistry 22(20) (2012) 10255
Space group: P 21 c n
Cell volume: 1750.9
Cell parameters: 10.0875; 25.41; 6.831; 90; 90; 90;  

COD ID: 7221320
CIF file Formula: - Bi4 Cl Nb O8 -
Comments: Kusainova, A.M.; Stefanovich, S.Yu.; Dolgikh, V.A.; Mosunov, A.V.; Hervoches, C.H.; Lightfoot, P. Dielectric properties and structure of Bi4 Nb O8 Cl and Bi4 Ta O8 Cl Journal of Materials Chemistry 11 (2001) 1141-1145
Space group: P 21 c n
Cell volume: 861.657
Cell parameters: 5.4472; 5.4901; 28.8125; 90; 90; 90;  

COD ID: 7221321
CIF file Formula: - Bi4 Cl O8 Ta -
Comments: Kusainova, A.M.; Hervoches, C.H.; Stefanovich, S.Yu.; Mosunov, A.V.; Dolgikh, V.A.; Lightfoot, P. Dielectric properties and structure of Bi4 Nb O8 Cl and Bi4 Ta O8 Cl Journal of Materials Chemistry 11 (2001) 1141-1145
Space group: P 21 c n
Cell volume: 862.371
Cell parameters: 5.4589; 5.5044; 28.6998; 90; 90; 90;  

COD ID: 7244223
CIF file Formula: - C28 H29 Br2 N Ni P2 -
Comments: Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes RSC Advances 12(4) (2022) 2227-2236
Space group: P 21 c n
Cell volume: 2738.98
Cell parameters: 9.8001; 13.6022; 20.547; 90; 90; 90;  

COD ID: 8101561
CIF file Formula: - C14 H15 N3 O2 -
Comments: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L. Crystal structure of N,N'-diphenylguanidinium formate, C~14~H~15~N~3~O~2~ Zeitschrift für Kristallographie - New Crystal Structures 214(4) (1999) 475-476
Space group: P 21 c n
Cell volume: 1327.3
Cell parameters: 6.363; 12.535; 16.641; 90; 90; 90;  

COD ID: 9001707
CIF file Formula: - Al2 Ca H4 O10 Si2 -
Comments: Libowitzky, E.; Armbruster, T. Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 110 K American Mineralogist 80 (1995) 1277-1285
Space group: P 21 c n
Cell volume: 671.742
Cell parameters: 5.855; 8.762; 13.094; 90; 90; 90;  

COD ID: 9001713
CIF file Formula: - H8 Mn2 O10 Si2 Sr -
Comments: Libowitzky, E.; Armbruster, T. Lawsonite-type phase transitions in hennomartinite, SrMn2[Si2O7](OH)2.H2O T = 22 C American Mineralogist 81 (1996) 9-18
Space group: P 21 c n
Cell volume: 756.291
Cell parameters: 6.247; 9.034; 13.401; 90; 90; 90;  

COD ID: 9002033
CIF file Formula: - Li0.23 Mg1.54 O6 Sc0.23 Si2 -
Comments: Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 2.50 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist 84 (1999) 245-256
Space group: P 21 c n
Cell volume: 415.197
Cell parameters: 9.1167; 8.7857; 5.1837; 90; 90; 90;  

COD ID: 9002034
CIF file Formula: - Li0.23 Mg1.54 O6 Sc0.23 Si2 -
Comments: Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 4.22 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist 84 (1999) 245-256
Space group: P 21 c n
Cell volume: 409.883
Cell parameters: 9.0877; 8.7526; 5.1531; 90; 90; 90;  

COD ID: 9002035
CIF file Formula: - Li0.23 Mg1.54 O6 Sc0.23 Si2 -
Comments: Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 6.14 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist 84 (1999) 245-256
Space group: P 21 c n
Cell volume: 403.964
Cell parameters: 9.0548; 8.712; 5.1209; 90; 90; 90;  

COD ID: 9002036
CIF file Formula: - Li0.23 Mg1.54 O6 Sc0.23 Si2 -
Comments: Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 7.93 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist 84 (1999) 245-256
Space group: P 21 c n
Cell volume: 398.174
Cell parameters: 9.0219; 8.6711; 5.0898; 90; 90; 90;  

COD ID: 9002037
CIF file Formula: - Li0.23 Mg1.54 O6 Sc0.23 Si2 -
Comments: Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 9.98 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist 84 (1999) 245-256
Space group: P 21 c n
Cell volume: 393.169
Cell parameters: 8.9921; 8.631; 5.0659; 90; 90; 90;  

COD ID: 9002543
CIF file Formula: - Al1.94 Ca D4 Fe0.06 O10 Si2 -
Comments: Meyer, H.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T. Displacive components of the low-temperature phase transitions in lawsonite T = 2 K American Mineralogist 86 (2001) 566-577
Space group: P 21 c n
Cell volume: 673.414
Cell parameters: 5.86465; 8.7652; 13.1002; 90; 90; 90;  

COD ID: 9002544
CIF file Formula: - Al1.94 Ca D4 Fe0.06 O10 Si2 -
Comments: Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T. Displacive components of the low-temperature phase transitions in lawsonite T = 50 K American Mineralogist 86 (2001) 566-577
Space group: P 21 c n
Cell volume: 673.206
Cell parameters: 5.8639; 8.76442; 13.099; 90; 90; 90;  

COD ID: 9002545
CIF file Formula: - Al1.94 Ca D4 Fe0.06 O10 Si2 -
Comments: Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T. Displacive components of the low-temperature phase transitions in lawsonite T = 100 K American Mineralogist 86 (2001) 566-577
Space group: P 21 c n
Cell volume: 673.465
Cell parameters: 5.86332; 8.76659; 13.1021; 90; 90; 90;  

COD ID: 9003435
CIF file Formula: - Mg O3 Si -
Comments: Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx with O3A-O3A-O3A angle = 120, O3B-O3B-O3B angle = 240, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist 89 (2004) 614-628
Space group: P 21 c n
Cell volume: 135.761
Cell parameters: 6.532; 6; 3.464; 90; 90; 90;  

COD ID: 9003436
CIF file Formula: - Mg O3 Si -
Comments: Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx at 2.50 GPa after Yang et al. (1999) with O3A-O3A-O3A angle = 154.0, O3B-O3B-O3B angle = 212.1, and model oxygen radius = 1.315 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist 89 (2004) 614-628
Space group: P 21 c n
Cell volume: 415.229
Cell parameters: 9.127; 8.877; 5.125; 90; 90; 90;  

COD ID: 9003437
CIF file Formula: - Mg O3 Si -
Comments: Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx at 9.98 GPa after Yang et al. (1999) with O3A-O3A-O3A angle = 147.8, O3B-O3B-O3B angle = 220.8, and model oxygen radius = 1.307 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist 89 (2004) 614-628
Space group: P 21 c n
Cell volume: 393.22
Cell parameters: 9.002; 8.698; 5.022; 90; 90; 90;  

COD ID: 9004544
CIF file Formula: - C3 H3 Cu0.92 Dy0.13 Er0.03 Eu0.06 Gd0.18 La0.04 Nd0.24 O11 Pb Pr0.03 Sm0.12 Tb0.02 Y0.16 Yb0.01 -
Comments: Schindler M; Hawthorne F C The crystal structure of schuilingite-(Nd) The Canadian Mineralogist 37 (1999) 1463-1470
Space group: P 21 c n
Cell volume: 894.756
Cell parameters: 7.419; 18.859; 6.395; 90; 90; 90;  

COD ID: 9007839
CIF file Formula: - Na O6 Se2 Y -
Comments: Morris, R. E.; Hriljac, J. A.; Cheetham, A. K. Synthesis and crystal structures of two novel selenites, NaY(SeO3)2 and NaLa(SeO3)2 Acta Crystallographica, Section C 46 (1990) 2013-2017
Space group: P 21 c n
Cell volume: 587.31
Cell parameters: 5.397; 8.525; 12.765; 90; 90; 90;  

COD ID: 9012906
CIF file Formula: - H22.62 O27 U6 -
Comments: Burns, P. C.; Finch, R. J.; Hawthorne, F. C.; Miller, M. L.; Ewing, R. C. The crystal structure of ianthinite, [U4+2(UO2)4O6(OH)4](H2O)5: a possible phase for Pu4+ incorporation during the oxidation of spent nuclear fuel Journal of Nuclear Materials 249 (1997) 199-206
Space group: P 21 c n
Cell volume: 2502.71
Cell parameters: 7.178; 11.473; 30.39; 90; 90; 90;  

COD ID: 9013660
CIF file Formula: - Mg O3 Si -
Comments: Jahn, S.; Martonak, R. Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure Note: modelled high-pressure phase at P = 0 GPa American Mineralogist 94 (2009) 950-956
Space group: P 21 c n
Cell volume: 399.965
Cell parameters: 9.039; 8.695; 5.089; 90; 90; 90;  


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