# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:26:39+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 2 2 21' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1509714","7.05","","7.85","","4.33","","90","","90","","90","","239.633","","","","","","","","","","","","","2","P 2 2 21","P 2c 2","17","","","","- Ag2 Se -","- Ag2 Se -","- Ag8 Se4 -","4","1","","Imamov, R.M.; Pinsker, Z.G.; Ching-Liang, C.; Lapidus, E.L.","Determination of the crystal structure of the low-temperature phase alpha-Ag2 Se","Kristallografiya","1965","10","","275","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511708","8.732","","8.767","","15.736","","90","","90","","90","","1204.65","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs (B9 O14)","","- B9 Cs O14 -","- B9 Cs O14 -","- B36 Cs4 O56 -","4","1","","Nowogrocki, G.; Penin, N.; Touboul, M.","Refinement of alpha-(Cs B9 O14) crystal structure","Journal of Solid State Chemistry","2003","175","","348","352","10.1016/S0022-4596(03)00326-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1520103","9.077","0.0016","13.831","0.002","32.773","0.006","90","","90","","90","","4114.5","1.2","100","0.2","100","0.2","","","","","","","","5","P 2 2 21","P 2c 2","17","","CuNPy3NO3","","- C34.5 H24 Cu N5.5 O5.62 -","- C34.5 H24 Cu N5.5 O5.625 -","- C138 H96 Cu4 N22 O22.5 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15297","15303","10.1039/c5dt01233c","","","0.71073","MoKα","","0.129","0.1071","","","0.3008","0.3179","","","","","","1.117","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520104","9.077","0.0016","13.831","0.002","32.773","0.006","90","","90","","90","","4114.5","1.2","100","0.2","100","0.2","","","","","","","","5","P 2 2 21","P 2c 2","17","","CuNPy3NO3","","- C33 H24 Cu N5 O3 -","- C33 H24 Cu N5 O3 -","- C132 H96 Cu4 N20 O12 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15297","15303","10.1039/c5dt01233c","","","0.71073","MoKα","","0.0727","0.054","","","0.1316","0.1383","","","","","","1.104","","","","has coordinates,has disorder","161743","2020-10-21","18:00:00",""
"1524363","2.976","","4.514","","4.378","","90","","90","","90","","58.813","","","","","","","","","","","","","4","P 2 2 21","P 2c 2","17","","Fe Ti H0.69 D0.19","","- D0.19 Fe H0.69 Ti -","- D0.19 Fe H0.69 Ti -","- D0.38 Fe2 H1.38 Ti2 -","2","0.5","","Fischer, R.; Haelg, W.; Schlapbach, L.; Andresen, A.F.; Stucki, F.","Deuterium storage in Fe Ti. Measurement of desorption isotherms and structural studies by means of neutron diffraction","Materials Research Bulletin","1978","13","","931","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524787","5.4654","","5.4973","","16.1729","","90","","90","","90","","485.914","","","","","","","","","","","","","5","P 2 2 21","P 2c 2","17","","Pb2 Ba2 Y Cu Cu2 O8","","- Ba2 Cu4 O12 Pb2 Y2 -","- Ba2 Cu4 O12 Pb2 Y2 -","- Ba4 Cu8 O24 Pb4 Y4 -","2","0.5","","Fu, W.T.; Zandbergen, H.W.; de Jongh, L.J.; Haije, W.G.","Preparation and crystal structure of Pb2Ba2YCu3O8+delta","Physica C (Amsterdam)","1989","159","","210","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524788","34.85","","7.33","","7.758","","90","","90","","90","","1981.79","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs.07 W O3","","- Cs0.137778 O4 W1.11111 -","- Cs0.137778 O4 W1.11111 -","- Cs2.48 O72 W20 -","18","4.5","","Hussain, A.","The Crystal Structure of a Cesium Intergrowth Tungstem Bronze","Chemica Scripta","1977","11","","224","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524789","34.85","","7.33","","3.879","","90","","90","","90","","990.892","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs0.069 W O3","","- Cs0.137778 O4 W1.11111 -","- Cs0.137778 O4 W1.11111 -","- Cs2.48 O72 W20 -","18","4.5","","Hussain, A.","The crystal structure of a cesium intergrowth tungsten bronze","Chemica Scripta","1977","11","","224","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525209","3.088","","4.515","","4.391","","90","","90","","90","","61.221","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Fe Ti D1.37","","- D1.37 Fe Ti -","- D1.37 Fe Ti -","- D2.74 Fe2 Ti2 -","2","0.5","","Schefer, J.; Andresen, A.F.; Fischer, P.; Haelg, W.; Schlapbach, L.; Stucki, F.","Structural phase transitions of Fe Ti - deuterides","Materials Research Bulletin","1979","14","","1281","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525962","3.5536","","3.5986","","3.5528","","90","","90","","90","","45.433","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","B C2 N","","- C2 B N -","- C2 B N -","- C4 B2 N2 -","2","0.5","","Mattesini, M.; Matar, S.F.","Search for ultra-hard materials : theoretical characterisation of novel orthorhombic B C2 N crystals","International Journal of Inorganic Materials","2001","3","","943","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530996","9.87","","9.844","","8.182","","90","","90","","90","","794.965","","","","","","","","","","","","","4","P 2 2 21","P 2c 2","17","","(N H4)2 (V (O2)3 F) (H2 O)","","- F N O6 V -","- F H5 N O6 V -","- F4 H20 N4 O24 V4 -","4","1","","Westermann, K.; Leimkuehler, M.; Mattes, R.","Zur Struktur der Triperoxofluorovanadate(V) A(I)2(V(O2)3F) (A = NH4(+), K(+), Cs(+))","Journal of the Less-Common Metals","1988","137","","181","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1532792","8.80577","","8.75298","","15.79161","","90","","90","","90","","1217.17","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs2 O (B2 O3)9","","- B18 Cs2 O28 -","- B18 Cs2 O28 -","- B36 Cs4 O56 -","2","0.5","","Wright, A.C.; Sinclair, R.N.; Stone, C.E.; Knight, K.S.; Vedishcheva, N.M.; Polyakova, I.G.; Shakhmatkin, B.A.","Structure of crystalline cesium enneaborate","Physics and Chemistry of Glasses","2003","44","","197","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","158778","2020-10-21","18:00:00",""
"1539584","4.334","","7.505","","5.959","","90","","90","","90","","193.826","","","","","","","","","","","","","2","P 2 2 21","P 2c 2","17","","","","- Bi0.76 Mn0.876 -","- Bi0.76 Mn0.876 -","- Bi3.8 Mn4.38 -","5","1.25","","Andresen, A.F.; Engebretsen, J.E.; Refsnes, J.","Neutron diffraction investigations on quenched Mn Bi and Mn Bi.9 Sb.1","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","175","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540917","8.3628","","13.5975","","8.3186","","90","","90","","90","","945.934","","","","","","","","","","","","","2","P 2 2 21","P 2c 2","17","","Nd Si2","","- Nd Si1.82 -","- Nd Si1.82 -","- Nd4 Si7.28 -","4","1","","Schobinger-Papamantellos, P.; Buschow, K.H.J.; Fischer, P.","Neutron diffraction study of magnetic ordering in the system Nd Six (1.67 <= x <= 2.00)","Journal of Magnetism and Magnetic Materials","1991","97","","53","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020562","6.8086","0.0004","8.1414","0.0005","18.6651","0.0014","90","","90","","90","","1034.64","0.12","173","2","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","2,4,6-Triaminopyrimidinium 6-methoxymethyl-2-thiouracilate‒6-methoxymethyl-2-thiouracil (1/1)","","- C16 H23 N9 O4 S2 -","- C16 H23 N9 O4 S2 -","- C32 H46 N18 O8 S4 -","2","0.5","","Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael","6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom","Acta Crystallographica Section C","2016","72","8","","","10.1107/S2053229616011281","","","0.71073","MoKα","","0.0244","0.0239","","","0.062","0.0623","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","184562","2020-10-21","18:00:00",""
"2021006","16.4332","0.0013","12.3817","0.0012","21.3581","0.0017","90","","90","","90","","4345.8","0.6","295","1","295","1","","","","","","","","4","P 2 2 21","P 2c 2","17","","1-{[1-(1-<i>tert</i>-Butoxycarbonyl)-<i>L</i>-prolyl]amino}terephthalic acid 2.08-hydrate","","- C18 H26.16 N2 O9.08 -","- C18 H26.16 N2 O9.08 -","- C144 H209.28 N16 O72.64 -","8","2","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2222023","4.1688","0.0001","8.8349","0.0002","14.7255","0.0004","90","","90","","90","","542.35","0.02","100","2","100","2","","","","","","","","4","P 2 2 21","P 2c 2","17","","4-(Dimethylamino)pyridinium tribromide","","- C7 H11 Br3 N2 -","- C7 H11 Br3 N2 -","- C14 H22 Br6 N4 -","2","0.5","HB2966","Ng, Seik Weng","4-(Dimethylamino)pyridinium tribromide: whole molecule disorder of cation and anion","Acta Crystallographica Section E","2009","65","6","o1276","","10.1107/S1600536809017048","","","0.71073","MoKα","","0.0262","0.0208","","","0.0485","0.0508","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"4028919","12.405","0.002","6.9058","0.001","11.003","0.0012","90","","90","","90","","942.6","0.2","200","2","200","2","","","","","","","","4","P 2 2 21","P 2c 2","17","","(5S,6S)-5,6-Diphenyl-2,3- piperazinedione tetrahydrofuran solvate (1:1)","","- C20 H22 N2 O3 -","- C20 H14 N2 O3 -","- C40 H28 N4 O6 -","2","0.5","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0942","0.059","","","0.1558","0.1846","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4031420","7.747","","6.655","","8.024","","90","","90","","90","","413.688","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Rb (In3 F10)","","- F10 In3 Rb -","- F10 In3 Rb -","- F20 In6 Rb2 -","2","0.5","","Champarnaud-Mesjard, J.C.; Mercurio-Lavaud, D.; Frit, B.","Structure cristalline du fluoroindate de rubidium Rb In3 F10","Journal of Inorganic and Nuclear Chemistry","1977","39","","947","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4107930","13.2529","0.0019","13.253","","13.995","0.002","90","","90","","90","","2458.1","0.5","193","2","193","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C22 H32 Co N6 O3 -","- C21.5 H6 Co N6 O3 -","- C86 H24 Co4 N24 O12 -","4","1","","Hye Jin Choi; Mircea Dincă; Jeffrey R. Long","Broadly Hysteretic H2Adsorption in the Microporous Metal-Organic Framework Co(1,4-benzenedipyrazolate)","Journal of the American Chemical Society","2008","130","","7848","7850","10.1021/ja8024092","","","0.7749","MoKα","","0.0904","0.0781","","","0.2116","0.2211","","","","","","1.677","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4118978","9.696","0.003","12.111","0.004","23.872","0.007","90","","90","","90","","2803.2","1.5","173.15","","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C35 H25 B Br2 N -","- C35 H25 B Br2 N -","- C140 H100 B4 Br8 N4 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.065","0.051","","","0.118","0.1278","","","","","","1.073","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4122425","27.62","0.0009","29.0891","0.0008","27.3169","0.0008","90","","90","","90","","21947.5","1.1","150","2","150","2","","","","","","","","4","P 2 2 21","P 2c 2","17","Au20(SPhBu-t)16","","","- C160 H208 Au20 S16 -","- C160 H208 Au20 S16 -","- C640 H832 Au80 S64 -","4","1","","Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao","Gold-Thiolate Ring as a Protecting Motif in the Au20(SR)16 Nanocluster and Implications.","Journal of the American Chemical Society","2014","136","34","11922","","10.1021/ja506802n","","","1.54178","CuKα","","0.1303","0.0568","","","0.1313","0.1663","","","","","","1.011","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4134735","11.9331","0.0007","14.1803","0.0009","42.533","0.002","90","","90","","90","","7197.2","0.7","100","2","99.98","","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C65 H49.5 F24 N4.5 P4 -","- C65 H49.5 F24 N4.5 P4 -","- C260 H198 F96 N18 P16 -","4","1","","Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser","Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.","Journal of the American Chemical Society","2020","142","17","7956","7967","10.1021/jacs.0c02128","","","1.54178","CuKα","","0.2299","0.1971","","","0.4554","0.4836","","","","","","1.717","","","","has coordinates,has disorder","251441","2020-10-21","18:00:00",""
"4324634","27.486","0.004","11.0171","0.0018","26.229","0.004","90","","90","","90","","7943","2","173","2","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C93 H99 N9 Ni3 O9 -","- C93 H99 N9 Ni3 O9 -","- C372 H396 N36 Ni12 O36 -","4","1","","Yuanbiao Huang; Tianfu Liu; Jingxiang Lin; Jian Lü; Zujin Lin; Rong Cao","Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation","Inorganic Chemistry","2011","50","","2191","2198","10.1021/ic102181h","","","0.71073","MoKα","","0.071","0.0592","","","0.1686","0.1821","","","","","","1.211","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324635","27.514","0.003","11.0404","0.0015","26.236","0.004","90","","90","","90","","7969.6","1.8","298","2","298","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C93 H99 N9 Ni3 O9 -","- C93 H99 N9 Ni3 O9 -","- C372 H396 N36 Ni12 O36 -","4","1","","Yuanbiao Huang; Tianfu Liu; Jingxiang Lin; Jian Lü; Zujin Lin; Rong Cao","Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation","Inorganic Chemistry","2011","50","","2191","2198","10.1021/ic102181h","","","0.71073","MoKα","","0.0854","0.0655","","","0.1936","0.223","","","","","","1.038","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4329649","13.8514","0.0005","16.7051","0.0006","29.317","0.0011","90","","90","","90","","6783.6","0.4","100","2","100","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C111 H120 Au8 F18 O7 P7 -","- C111 H120 Au8 F18 O7 P7 -","- C222 H240 Au16 F36 O14 P14 -","2","0.5","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Stanislav I. Selivanov; Janne Jänis; Matti Haukka; Tapani Pakkanen; Sergey P. Tunik; Pi-Tai Chou","Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives","Inorganic Chemistry","2012","51","","7392","7403","10.1021/ic300856h","","","0.71073","MoKα","","0.0646","0.0603","","","0.1406","0.1422","","","","","","1.113","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4334183","12.7321","0.0015","13.5133","0.0016","25.484","0.005","90","","90","","90","","4384.6","1.1","298","2","298","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C68 H57 In2 N11 O34 -","- C37 H20 In2 O20 -","- C74 H40 In4 O40 -","2","0.5","","Zu-Jin Lin; Yuan-Biao Huang; Tian-Fu Liu; Xiang-Ying Li; Rong Cao","Construction of a Polyhedral Metal-Organic Framework via a Flexible Octacarboxylate Ligand for Gas Adsorption and Separation","Inorganic Chemistry","2013","52","","3127","3132","10.1021/ic302583a","","","0.71073","MoKα","","0.0534","0.0509","","","0.1579","0.1614","","","","","","1.147","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4345989","7.544","0.003","22.622","0.007","29.797","0.004","90","","90","","90","","5085","3","293","2","293","2","","","","","","","","2","P 2 2 21","P 2c 2","17","","Cu2-xTe","","- Cu31 Te24 -","- Cu31 Te24 -","- Cu124 Te96 -","4","1","","Mugnaioli, Enrico; Gemmi, Mauro; Tu, Renyong; David, Jeremy; Bertoni, Giovanni; Gaspari, Roberto; De Trizio, Luca; Manna, Liberato","Ab Initio Structure Determination of Cu2–xTe Plasmonic Nanocrystals by Precession-Assisted Electron Diffraction Tomography and HAADF-STEM Imaging","Inorganic Chemistry","2018","57","16","10241","10248","10.1021/acs.inorgchem.8b01445","","electron","0.0335","electron","","0.4757","0.4655","","","0.7306","0.7482","","","","","","2.66","","","","has coordinates","275239","2022-05-09","00:33:27",""
"4500802","7.9114","0.0011","14.2572","0.0019","29.557","0.002","90","","90","","90","","3333.9","0.7","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C59 H52 N16 O12 Zn2 -","- C59 H52 N16 O12 Zn2 -","- C118 H104 N32 O24 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Zhang, Ming-Dao; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Two Porous Zinc Coordination Polymers with (10,3) Topological Features Based on a N-Centered Tripodal Ligand and the Conversion of a (10,3)-d Subnet to a (10,3)-a Subnet","Crystal Growth & Design","2011","11","7","3039","","10.1021/cg200315f","","","0.71073","MoKα","","0.0845","0.0678","","","0.1412","0.1452","","","","","","1.067","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4504326","8.8594","0.0015","11.698","0.002","14.955","0.003","90","","90","","90","","1549.9","0.5","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C14 H15 N4 O2 Zn -","- C14 H15 N4 O2 Zn -","- C56 H60 N16 O8 Zn4 -","4","1","","He, Jun; Zhang, Jing-Xiang; Tan, Gui-Ping; Yin, Ye-Gao; Zhang, Dan; Hu, Mei-Hong","Second Ligand-Directed Assembly of Photoluminescent Zn(II) Coordination Frameworks","Crystal Growth & Design","2007","7","8","1508","","10.1021/cg070320v","","","0.71073","MoKα","","0.0459","0.0398","","","0.0927","0.1051","","","","","","1.081","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4513970","34.388","0.002","34.853","0.002","13.3846","0.0007","90","","90","","90","","16041.8","1.6","123","2","123","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 N4 O16 V2 -","- C84 H84 Cd2 N4 O16 V2 -","- C336 H336 Cd8 N16 O64 V8 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1238","0.0984","","","0.2644","0.2805","","","","","","1.074","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4513971","33.9506","0.0014","35.3214","0.0012","13.4377","0.0005","90","","90","","90","","16114.3","1","123","2","123","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C84 H84 Cd2 Cu N4 O16 V -","- C84 H84 Cd2 Cu N4 O16 V -","- C336 H336 Cd8 Cu4 N16 O64 V4 -","4","1","","Zhu, Chengfeng; Xia, Qingchun; Chen, Xu; Liu, Yan; Du, Xia; Cui, Yong","Chiral Metal‒Organic Framework as a Platform for Cooperative Catalysis in Asymmetric Cyanosilylation of Aldehydes","ACS Catalysis","2016","6","11","7590","","10.1021/acscatal.6b02359","","","1.54178","CuKα","","0.1264","0.0978","","","0.2471","0.2666","","","","","","1.076","","","","has coordinates","188905","2020-10-21","18:00:00",""
"4515423","9.513","0.005","15.181","0.008","25.601","0.014","90","","90","","90","","3697","3","150","2","150","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C64 H48 Cd2 N14 O10 S3 -","- C64 H48 Cd2 N14 O10 S3 -","- C128 H96 Cd4 N28 O20 S6 -","2","0.5","","Desai, Aamod V.; Joarder, Biplab; Roy, Arkendu; Samanta, Partha; Babarao, Ravichandar; Ghosh, Sujit K.","Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks.","ACS applied materials & interfaces","2018","10","45","39049","39055","10.1021/acsami.8b14420","","","0.71073","MoKα","","0.1101","0.0694","","","0.1485","0.1664","","","","","","1.036","","","","has coordinates,has disorder","225577","2020-10-21","18:00:00",""
"4515424","9.5251","0.0006","15.1178","0.0008","25.8099","0.0014","90","","90","","90","","3716.6","0.4","150","2","150","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C64 H48 Cd2 N15 O10 S3 -","- C64 H48 Cd2 N15 O10 S3 -","- C128 H96 Cd4 N30 O20 S6 -","2","0.5","","Desai, Aamod V.; Joarder, Biplab; Roy, Arkendu; Samanta, Partha; Babarao, Ravichandar; Ghosh, Sujit K.","Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks.","ACS applied materials & interfaces","2018","10","45","39049","39055","10.1021/acsami.8b14420","","","0.71073","MoKα","","0.0696","0.0458","","","0.1007","0.1091","","","","","","1.049","","","","has coordinates,has disorder","225578","2020-10-21","18:00:00",""
"7028215","3.861","0.003","6.664","0.004","19.84","0.013","90","","90","","90","","510.5","0.6","93","2","93","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C3 H9 F6 N3 O2 V2 -","- C3 H9 F6 N3 O2 V2 -","- C6 H18 F12 N6 O4 V4 -","2","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0436","0.0386","","","0.0825","0.0836","","","","","","1.165","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028216","3.8572","0.0013","6.4795","0.0002","20.051","0.0006","90","","90","","90","","501.13","0.17","93","2","93","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C3 H5 F6 K N2 O2 V2 -","- C3 H5 F6 K N2 O2 V2 -","- C6 H10 F12 K2 N4 O4 V4 -","2","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0583","0.0528","","","0.1421","0.1746","","","","","","1.263","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7103062","7.4577","0.0011","14.967","0.003","22.633","0.004","90","","90","","90","","2526.3","0.7","273","2","273","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C50 H56 N2 O16 Zn4 -","- C50 H56 N2 O16 Zn4 -","- C100 H112 N4 O32 Zn8 -","2","0.5","","Zhang, Jian; Bu, Xianhui","A new enantiopure unsaturated dicarboxylate as a 4-connected unit in a flexible homochiral PtS-type framework.","Chemical communications (Cambridge, England)","2008","","15","1756","1758","10.1039/b719368h","","","0.71073","MoKα","","0.0585","0.0421","","","0.0964","0.1055","","","","","","1.011","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7112915","8.2318","0.0003","13.8544","0.0005","41.7301","0.0016","90","","90","","90","","4759.2","0.3","186","2","186","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C44 H34 Ag B F4 N4 O4 -","- C44 H34 Ag B F4 N4 O4 -","- C176 H136 Ag4 B4 F16 N16 O16 -","4","1","","He, Yabing; Bian, Zheng; Kang, Chuanqing; Gao, Lianxun","Stereoselective and hierarchical self-assembly from nanotubular homochiral helical coordination polymers to supramolecular gels.","Chemical communications (Cambridge, England)","2010","46","31","5695","5697","10.1039/c0cc01433h","","","0.71073","MoKα","","0.0885","0.0747","","","0.2262","0.239","","","","","","1.04","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00",""
"7112916","8.214","0.0005","13.8169","0.0007","41.563","0.002","90","","90","","90","","4717.1","0.4","186","2","186","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C44 H34 Ag B F4 N4 O4 -","- C44 H34 Ag B F4 N4 O4 -","- C176 H136 Ag4 B4 F16 N16 O16 -","4","1","","He, Yabing; Bian, Zheng; Kang, Chuanqing; Gao, Lianxun","Stereoselective and hierarchical self-assembly from nanotubular homochiral helical coordination polymers to supramolecular gels.","Chemical communications (Cambridge, England)","2010","46","31","5695","5697","10.1039/c0cc01433h","","","0.71073","MoKα","","0.0953","0.0728","","","0.2089","0.2215","","","","","","1.083","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00",""
"7118465","17.046","0.0005","24.0462","0.0006","28.8442","0.0006","90","","90","","90","","11823","0.5","100","0.1","100","0.1","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C104 H100 Cd2 N8 O13.63 V2 -","- C104 H100 Cd2 N8 O13.6285 V2 -","- C416 H400 Cd8 N32 O54.514 V8 -","4","1","","Bhunia, Asamanjoy; Dey, Subarna; Moreno, José María; Diaz, Urbano; Concepcion, Patricia; Van Hecke, Kristof; Janiak, Christoph; Van Der Voort, Pascal","A homochiral vanadium-salen based cadmium bpdc MOF with permanent porosity as an asymmetric catalyst in solvent-free cyanosilylation.","Chemical communications (Cambridge, England)","2016","52","7","1401","1404","10.1039/c5cc09459c","","x-ray","1.54184","CuKα","","0.0767","0.0564","","","0.1276","0.1393","","","","","","0.957","","","","has coordinates,has disorder","174477","2020-10-21","18:00:00",""
"7120815","24.1093","0.0006","34.2098","0.0008","23.7848","0.0007","90","","90","","90","","19617.1","0.9","110","2","109.96","","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C136 H150 Cd2 Fe2 N12 O18.48 V2 -","- C136 H150 Cd2 Fe2 N12 O18.483 V2 -","- C544 H600 Cd8 Fe8 N48 O73.932 V8 -","4","1","","Li, Zijian; Liu, Yan; Xia, Qingchun; Cui, Yong","Chiral binary metal-organic frameworks for asymmetric sequential reactions","Chem. Commun.","2017","","","","","10.1039/C7CC06979K","","","1.54178","CuKα","","0.1103","0.0794","","","0.215","0.2432","","","","","","1.004","","","","has coordinates,has disorder","202287","2020-10-21","18:00:00",""
"7126739","13.0892","0.0004","13.0889","0.0004","13.2528","0.0004","90","","90","","90","","2270.51","0.12","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- Be4 Cs4 Li O24 P7 -","- Be4 Cs4 Li O24 P7 -","- Be16 Cs16 Li4 O96 P28 -","4","1","","Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming","M<sub>4</sub>LiBe<sub>4</sub>P<sub>7</sub>O<sub>24</sub> and M<sub>4</sub>Li(Li<sub>3</sub>P)P<sub>7</sub>O<sub>24</sub> (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.","Chemical communications (Cambridge, England)","2020","56","61","8639","8642","10.1039/d0cc03159c","","","0.71073","MoKα","","0.0314","0.027","","","0.052","0.0542","","","","","","0.933","","","","has coordinates","254927","2020-10-21","18:00:00",""
"7126740","12.8805","0.0004","12.9118","0.0004","12.9447","0.0004","90","","90","","90","","2152.84","0.12","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- Be4 Li O24 P7 Rb4 -","- Be4 Li O24 P7 Rb4 -","- Be16 Li4 O96 P28 Rb16 -","4","1","","Chen, Yi-Gang; Yang, Chunyu; Wang, Fang; Guo, Yao; Jiang, Xingxing; Zhang, Xian-Ming","M<sub>4</sub>LiBe<sub>4</sub>P<sub>7</sub>O<sub>24</sub> and M<sub>4</sub>Li(Li<sub>3</sub>P)P<sub>7</sub>O<sub>24</sub> (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework.","Chemical communications (Cambridge, England)","2020","56","61","8639","8642","10.1039/d0cc03159c","","","0.71073","MoKα","","0.0362","0.0266","","","0.05","0.0524","","","","","","1.049","","","","has coordinates","254927","2020-10-21","18:00:00",""
"7128141","19.544","0.004","18.626","0.004","26.122","0.005","90","","90","","90","","9509","3","293","2","293","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C150 H204 Au17 B Cd2 P4 S12 -","- C150 H198 Au17 B Cd2 P4 S12 -","- C300 H396 Au34 B2 Cd4 P8 S24 -","2","0.5","","Li, Tianrong; Li, Qinzhen; Yang, Sha; Xu, Liyun; Chai, Jinsong; Li, Peng; Zhu, Manzhou","Surface engineering of linearly fused Au<sub>13</sub> units using diphosphine and Cd doping.","Chemical communications (Cambridge, England)","2021","57","38","4682","4685","10.1039/d1cc00577d","","","0.71073","MoKα","","0.0948","0.0734","","","0.1965","0.2182","","","","","","0.968","","","","has coordinates,has disorder","265902","2021-06-05","17:33:27",""
"7232449","8.2598","0.0006","13.977","0.0011","30.125","0.002","90","","90","","90","","3477.8","0.4","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C61 H60 N16 O14 Zn2 -","- C61 H60 N16 O14 Zn2 -","- C122 H120 N32 O28 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.0733","0.0597","","","0.1303","0.1336","","","","","","1.074","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7235746","28.677","0.002","15.8555","0.0011","21.4018","0.0015","90","","90","","90","","9731.1","1.2","296","2","296","2","","","","","","","","4","P 2 2 21","P 2c 2","17","","","","- C68 H40 Cd3 O18 -","- C68 H36 Cd3 O18 -","- C272 H144 Cd12 O72 -","4","1","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.0524","0.0428","","","0.1228","0.1265","","","","","","0.92","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7237732","9.339","0.0002","15.6217","0.0005","33.6709","0.0019","90","","90","","90","","4912.3","0.3","295","2","295","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C91.5 H83.5 Cl2 In3 N5.5 O27.5 -","- C70 H40 Cl2 In3 O20 -","- C140 H80 Cl4 In6 O40 -","2","0.5","","Wu, Zhao-Feng; Tan, Bin; Velasco, Ever; Wang, Hao; Shen, Nan-Nan; Gao, Yu-Jie; Zhang, Xu; Zhu, Kun; Zhang, Guo-Yu; Liu, Yan-Yao; Hei, Xiu-Ze; Huang, Xiao-Ying; Li, Jing","Fluorescent In based MOFs showing “turn on” luminescence towards thiols and acting as a ratiometric fluorescence thermometer","Journal of Materials Chemistry C","2019","7","10","3049","","10.1039/C9TC00463G","","","0.71073","MoKα","","0.0715","0.0632","","","0.1565","0.1599","","","","","","1.012","","","","has coordinates","238566","2020-10-21","18:00:00",""
"7239503","12.262","0.004","13.572","0.005","24.934","0.009","90","","90","","90","","4150","3","296","2","296","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C41 H40 In2 N2 O22 -","- C41 H35 In2 N2 O22 -","- C82 H70 In4 N4 O44 -","2","0.5","","Xue, Yun-Shan; He, Yabing; Zhou, Lian; Chen, Fei-Jian; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng; Chen, Banglin","A photoluminescent microporous metal organic anionic framework for nitroaromatic explosive sensing","Journal of Materials Chemistry A","2013","1","14","4525","","10.1039/c3ta01118f","","","0.71073","MoKα","","0.1404","0.0992","","","0.2645","0.2949","","","","","","1.034","","","","has coordinates","244735","2020-10-21","18:00:00",""
"7245270","6.9489","0.0007","9.7256","0.001","23.026","0.002","90","","90","","90","","1556.1","0.3","90","","90","","","","","","","","","4","P 2 2 21","P 2c 2","17","","(S)-Nicotinium Orotate Hemihydrate","","- C30 H38 N8 O9 -","- C30 H38 N8 O9 -","- C60 H76 N16 O18 -","2","0.5","","Angevine, Devin J.; Camacho, Kristine Joy; Rzayev, Javid; Benedict, Jason B.","Transforming liquid nicotine into a stable solid through crystallization with orotic acid","CrystEngComm","2022","","","","","10.1039/D2CE00764A","","","0.71073","MoKα","","0.053","0.0497","","","0.1075","0.1088","","","","","","1.157","","","","has coordinates","277084","2022-08-05","22:29:17",""
"9016173","5.504","","5.568","","15.52","","90","","90","","90","","475.63","","","","","","","","","","","","Synthetic","3","P 2 2 21","P 2c 2","17","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","2","","Vousden, P.","The structure of ferroelectric sodium niobate at room temperature Note: this is a possible polymorph of lueshite","Acta Crystallographica","1951","4","","545","551","10.1107/S0365110X51001768","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""