# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T16:04:03+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I m a 2' 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
"1509799","7.42","","7.68","","10.46","","90","","90","","90","","596.069","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Ag2 Nb2 O5 F2","","- Ag2 F2 Nb2 O5 -","- Ag2 F1.9999 Nb2 O5.0001 -","- Ag8 F7.9996 Nb8 O20.0004 -","4","0.5","","Chaminade, J.P.; Vlasse, M.; Saux, M.; Pouchard, M.","La structure cristalline de l'oxyfluorure d'argent et de niobium Ag2 Nb2 O5 F2","Revue de Chimie Minerale","1977","14","","429","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510732","29.665","","39.688","","13.9573","","90","","90","","90","","16432.6","","","","","","","","","","","","","6","I m a 2","I 2 -2a","46","","K17 Na2 ((B W11 O39)2 (H5 Mo13 W2 O48)) (H2 O)21","","- B2 K12.5 Mo13 Na0.5 O147 W24 -","- B2 K12.5 Mo13 Na0.5 O147 W24 -","- B8 K50 Mo52 Na2 O588 W96 -","4","0.5","","Leclerc-Laronze, N.; Cadot, E.; Thouvenot, R.; Marrot, J.","Structural link between giant molybdenum oxide based ions and derived Keggin structure: modular assemblies based on the [B W11 O39](9-) ion and pentagonal {M' M5} units (M' = W and M = Mo, W)","Angew. Chem. Int. ed.","2009","48","","4986","4989","10.1002/anie.200900530","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519035","9.524","0.002","17.98","0.003","8.57","0.003","90","","90","","90","","1467.5","0.6","","","296","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ba Na2 Si4 -","- Ba Na2 Si4 -","- Ba8 Na16 Si32 -","8","1","","Huang, B.; Corbett, J. D.","Synthesis and structure of the Zintl compounds Na2BaTt4 (Tt = Si, Ge)","Solid State Sciences","1999","1","","555","565","","","x-ray","0.71073","MoKα","","","0.027","","","0.028","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521023","16.7191","","6.0833","","5.9563","","90","","90","","90","","605.799","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ba2 In2 O5 -","- Ba2 In2 O5 -","- Ba8 In8 O20 -","4","0.5","","Fischer, W.; Reck, G.; Schober, T.","Structural transformation of the oxygen and proton conductor Ba2 In2 O5 in humid air: an in-situ X-ray powder diffraction study","Solid State Ionics","1999","116","","211","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523929","7.0352","","11.192","","6.4734","","90","","90","","90","","509.702","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Ru Ti Si","","- Ru Si Ti -","- Ru Si Ti -","- Ru12 Si12 Ti12 -","12","1.5","","Johnson, V.; Jeitschko, W.","Ternary equiatomic transition metal silicides and germanides","Journal of Solid State Chemistry","1972","4","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525541","16.1239","","5.5626","","5.40262","","90","","90","","90","","484.565","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Sr2 Mn Ga O5","","- Ga Mn O5 Sr2 -","- Ga Mn O5 Sr2 -","- Ga4 Mn4 O20 Sr8 -","4","0.5","","Abakumov, A.M.; Rozova, M.G.; Lobanov, M.V.; Pavlyuk, B.P.; Ovtchenkov, E.A.; Vasil'ev, A.N.; Lebedev, O.I.; Antipov, E.V.; Ignatchik, O.L.; van Tendeloo, G.; Koksharov, Yu.A.","Synthesis, crystal structure and magnetic properties of a novel layered manganese oxide Sr2 Mn Ga O5+d","Journal of Solid State Chemistry","2001","160","","353","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528661","15.7782","","5.5739","","5.47","","90","","90","","90","","481.065","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Sr Co O2.5","","- Co O2.5 Sr -","- Co O2.5 Sr -","- Co8 O20 Sr8 -","8","1","","de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T.","Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study","Solid State Sciences","2008","10","","1924","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529962","40.92","","4.93","","5.27","","90","","90","","90","","1063.15","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Nb2 Zr6 O17","","- Nb2 O17 Zr6 -","- Nb2 O17 Zr6 -","- Nb8 O68 Zr24 -","4","0.5","","Galy, J.; Roth, R.S.","The crystal structure of Nb2 Zr6 O17","Journal of Solid State Chemistry","1973","7","","277","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","154901","2020-10-21","18:00:00",""
"1531100","5.4089","","5.4515","","22.7987","","90","","90","","90","","672.257","","","","","","","","","","","","","5","I m a 2","I 2 -2a","46","","Co Sr2 Y Cu2 O7","","- Co Cu2 O7 Sr2 Y -","- Co Cu2 O7 Sr2 Y -","- Co4 Cu8 O28 Sr8 Y4 -","4","0.5","","Awana, V.P.S.; Malik, S.K.; Yelon, W.B.; Karppinen, M.; Yamauchi, H.","Triple perovskite Co Sr2 Y Cu2 O7-d and its peculiar structural features: a neutron diffraction study","Physica C (Amsterdam)","2002","378","","155","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533470","16.1898","","5.5126","","5.3713","","90","","90","","90","","479.377","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Sr2 Ga Mn O5","","- Ga Mn O5 Sr2 -","- Ga Mn O5 Sr2 -","- Ga4 Mn4 O20 Sr8 -","4","0.5","","Sheptyakov, D.V.; Pomjakushin, V.Yu.; Abakumov, A.M.; Balagurov, A.M.; Antipov, E.V.; Fischer, P.; Billinge, S.J.L.; Lobanov, M.V.; Rozova, M.G.; Keller, L.; Pavlyuk, B.P.","Crystal and magnetic structures of new layered oxides A2 Ga Mn O5+y(A = Ca, Sr)","Appl. Phys. A","2002","74","","S1734","S1736","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533548","22.8043","","5.3954","","5.4834","","90","","90","","90","","674.668","","","","","","","","","","","","","5","I m a 2","I 2 -2a","46","","Ga Sr2 Y Cu2 O6.99","","- Cu2 Ga O6.99 Sr2 Y -","- Cu2 Ga O6.99 Sr2 Y -","- Cu8 Ga4 O27.96 Sr8 Y4 -","4","0.5","","Awana, V.P.S.; Takayama-Muromachi, E.; Malik, S.K.; Krishnamurty, V.V.; Karppinen, M.; Yelon, W.B.; Yamauchi, H.","Cation intermixing and ordering phenomenon in M-O layer of M Sr2 Y Cu2 Oz (M-1212) compounds with M = Fe, Co, Al and Ga: a neutron powder diffraction study","Journal of Applied Physics","2003","93","","8221","8223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533552","22.1998","","5.4649","","5.46338","","90","","90","","90","","662.816","","","","","","","","","","","","","5","I m a 2","I 2 -2a","46","","Al Sr2 Y Cu2 O7.053","","- Al Cu2 O7.053 Sr2 Y -","- Al Cu2 O7.053 Sr2 Y -","- Al4 Cu8 O28.212 Sr8 Y4 -","4","0.5","","Awana, V.P.S.; Takayama-Muromachi, E.; Malik, S.K.; Yelon, W.B.; Karppinen, M.; Krishnamurty, V.V.; Yamauchi, H.","Cation intermixing and ordering phenomenon in M-O layer of M Sr2 Y Cu2 Oz (M-1212) compounds with M = Fe, Co, Al and Ga: a neutron powder diffraction study","Journal of Applied Physics","2003","93","","8221","8223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533556","22.7987","","5.4515","","5.4089","","90","","90","","90","","672.257","","","","","","","","","","","","","5","I m a 2","I 2 -2a","46","","Co Sr2 Y Cu2 O7","","- Co Cu2 O7 Sr2 Y -","- Co Cu2 O7 Sr2 Y -","- Co4 Cu8 O28 Sr8 Y4 -","4","0.5","","Awana, V.P.S.; Yelon, W.B.; Takayama-Muromachi, E.; Malik, S.K.; Karppinen, M.; Yamauchi, H.; Krishnamurty, V.V.","Cation intermixing and ordering phenomenon in M-O layer of M Sr2 Y Cu2 Oz (M-1212) compounds with M = Fe, Co, Al and Ga: a neutron powder diffraction study","Journal of Applied Physics","2003","93","","8221","8223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534040","16.1971","","5.5257","","5.3863","","90","","90","","90","","482.076","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Sr2 Ga Mn O5","","- Ga Mn O5 Sr2 -","- Ga Mn O5 Sr2 -","- Ga4 Mn4 O20 Sr8 -","4","0.5","","Pomjakushin, V.Yu.; Rozova, M.G.; Balagurov, A.M.; Abakumov, A.M.; Elzhov, T.V.; Yushankhai, V.Yu.; Sheptyakov, D.V.; Khomskii, D.I.; Fischer, P.; Antipov, E.V.; Lobanov, M.V.; Billinge, S.J.L.","Atomic and magnetic structures, disorder effects and unconventional superexchange interactions in A2 Mn Ga O5+d (A= Sr, Ca) oxides of layered brownmillerite-type structure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","184412-1","184412-13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535919","7.484","","7.857","","10.426","","90","","90","","90","","613.067","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Pb2 (Sb2 O7)","","- O7 Pb2 Sb2 -","- O7 Pb2 Sb2 -","- O28 Pb8 Sb8 -","4","0.5","","Ivanov, S.A.; Zavodnik, V.E.","Crystal structure of lead antimonate Pb2 Sb2 O7","Kristallografiya","1990","35","","842","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","163426","2020-10-21","18:00:00",""
"1535989","7.12","","11.34","","6.559","","90","","90","","90","","529.579","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Rh Mn Ge","","- Ge Mn Rh -","- Ge Mn Rh -","- Ge12 Mn12 Rh12 -","12","1.5","","Venturini, G.; Malaman, B.; Steinmetz, J.; Roques, B.; Courtois, A.","Distribution des atomes metalliques dans les structures apparentees des trois composes ternaires equiatomiques: Rh Mn Si, isotype de Co2 P, Rh Mn Ge, isotype de Ti Fe Si et Pd Mn Ge, isotype de Fe2 P","Materials Research Bulletin","1982","17","","259","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1546394","7.7462","0.0005","16.7938","0.001","10.8073","0.0007","90","","90","","90","","1405.9","0.15","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H13 B F3 N4 -","- C12 H12 B F3 N4 -","- C48 H48 B4 F12 N16 -","4","0.5","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0325","0.0287","","","0.0659","0.0686","","","","","","1.03","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1554617","13.801","0.003","25.643","0.005","6.8626","0.0013","90","","90","","90","","2428.7","0.8","298","2","298","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C17 H20 B10 I2 -","- C17 H20 B10 I2 -","- C68 H80 B40 I8 -","4","0.5","","Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario","Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.","Biomaterials science","2019","7","12","5324","5337","10.1039/c9bm00903e","","","0.71073","MoKα","","0.0603","0.0405","","","0.0766","0.0791","","","","","","1.038","","","","has coordinates","237823","2020-10-21","18:00:00",""
"1561328","30.703","0.005","7.8834","0.0012","5.8115","0.0008","90","","90","","90","","1406.6","0.4","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C14 H12 Cd O7 -","- C14 H12 Cd O7 -","- C56 H48 Cd4 O28 -","4","0.5","","Singh, Suryabhan; Bhim, Anupam","Water linked 3D coordination polymers: Syntheses, structures and applications","Journal of Solid State Chemistry","2016","244","","151","159","10.1016/j.jssc.2016.09.025","","","0.71073","MoKα","","0.0259","0.0236","","","0.0549","0.0563","","","","","","1.134","","","","has coordinates","263411","2021-03-29","09:00:02",""
"1561623","13.373","0.001","7.519","0.001","7.519","0.001","90","","90","","90","","756.05","0.15","200","","200","","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- Ce2 Cu S5 Sb -","- Ce2 Cu S5 Sb -","- Ce8 Cu4 S20 Sb4 -","4","0.5","","Kussainova, Ardak M.; Akselrud, Lev G.; Suen, Nian-Tzu; Voss, Leonard; Stoyko, Stanislav; Bobev, Svilen","Synthesis, crystal and electronic structure of the quaternary sulfides Ln2CuMS5 (Ln=La, Ce; M=Sb, Bi)","Journal of Solid State Chemistry","2016","233","","269","276","10.1016/j.jssc.2015.10.039","","","0.71073","MoKα","","","0.0663","","","","0.0676","","","","","","1","","","","has coordinates","264018","2021-04-09","09:33:11",""
"2000978","6.892","0.001","19.692","0.002","6.439","0.001","90","","90","","90","","873.9","0.2","","","","","","","","","","","","5","I m a 2","","","","","","- C6 H8 N Na O5 -","- C6 H8 N Na O5 -","- C24 H32 N4 Na4 O20 -","4","0.5","AS0531","Minemoto, H.; Sonoda, N.; Miki, K.","Structure of sodium <i>p</i>-nitrophenolate dihydrate","Acta Crystallographica Section C","1992","48","4","737","738","10.1107/S0108270191010764","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002695","15.8467","0.0009","5.5077","0.0003","5.3188","0.0003","90","","90","","90","","464.2","","","","","","","","","","","","","5","I m a 2","I 2 -2a","46","","Lanthanum calcium copper gallium oxide","","- Ca Cu Ga La O5 -","- Ca Cu Ga La O5 -","- Ca4 Cu4 Ga4 La4 O20 -","4","0.5","","Luzikova, A V; Kharlanov, A L; Antipov, E V; Mueller-Buschbaum, Hk","On the crystal structure of La Ca Cu Ga O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","326","328","10.1002/zaac.19946200220","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004359","7.1006","0.0005","16.88","0.002","10.1754","0.0005","90","","90","","90","","1219.6","0.18","297","","","","","","","","","","","4","I m a 2","","","","(2-trimethylsilylethynyl)-benzaldehyde","","- C12 H14 O Si -","- C12 H14 O Si -","- C48 H56 O4 Si4 -","4","0.5","BM1032","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde","Acta Crystallographica Section C","1996","52","1","259","262","10.1107/S0108270195011243","","","1.54184","CuKα","","","0.032","","","0.043","","","","","2.289","2.289","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012041","19.27","0.004","7.2111","0.0017","10.025","0.005","90","","90","","90","","1393.1","0.8","293","2","","","","","","","","","","5","I m a 2","I 2 -2a","46","","catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']","","- C2 H8 Br2 N2 Zn -","- C2 H8 Br2 N2 Zn -","- C16 H64 Br16 N16 Zn8 -","8","1","NA1500","Pritchard, Robin G.; Eaton, Nicola; McDonald, Stephen; Strickland, Phillip","<i>catena</i>-Poly[dibromozinc(II)-μ-ethylenediamine-<i>N</i>:<i>N</i>']: resolution of structural anomalies resulting from the interpretation of vibrational spectra","Acta Crystallographica Section C","2001","57","6","672","673","10.1107/S0108270101000567","","","1.54178","CuKα","","","0.053","","","","0.151","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014162","6.302","0.005","9.076","0.005","17.531","0.005","90","","90","","90","","1002.7","1","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yes̨ilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0371","0.0306","","","0.0825","0.0851","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018660","15.61545","0.00011","17.6525","0.0003","7.563","0.00006","90","","90","","90","","2084.75","0.04","298","","298","","","","","","","","","5","I m a 2","I 2 -2a","46","","1,1'-methylenedipyridinium bis[tetrachloridoaurate(III)]","","- C11 H12 Au2 Cl8 N2 -","- C11 H12 Au2 Cl8 N2 -","- C44 H48 Au8 Cl32 N8 -","4","0.5","SK3441","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction","Acta Crystallographica Section C","2012","68","9","m246","m250","10.1107/S0108270112031885","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.6","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2102337","8.882","","24.565","","6.387","","90","","90","","90","","1393.56","","","","","","","","","","","","","4","I m a 2","","46","","","","- C9 H7 I3 S2 -","- C9 I3 S2 -","- C36 I12 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102348","28.639","","12.548","","12.355","","90","","90","","90","","4439.92","","","","","","","","","","","","","6","I m a 2","","46","","","","- C57 H38 Cl2 N6 O2 Zn -","- C57 H38 Cl2 N6 O2 Zn -","- C228 H152 Cl8 N24 O8 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2106923","6.997","","10.83","","6.287","","90","","90","","90","","476.413","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Ti Fe Si","","- Fe Si Ti -","- Fe Si Ti -","- Fe12 Si12 Ti12 -","12","1.5","","Jeitschko, W.","The crystal structure of Ti Fe Si and related compounds","Acta Crystallographica B (24,1968-38,1982)","1970","26","","815","822","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2214143","16.3724","0.0006","7.1673","0.0004","14.1857","0.0008","90","","90","","90","","1664.63","0.15","100","0.2","100","0.2","","","","","","","","5","I m a 2","I 2 -2a","46","","Poly[propane-1,3-diammonium [diaquatetrakis(μ~4~-benzene-1,2,4,5-tetracarboxylato)nickelate(II)] hemihydrate]","","- C13 H19 N2 Ni O10.5 -","- C13 H19 N2 Ni O10.5 -","- C52 H76 N8 Ni4 O42 -","4","0.5","CV2264","Aghabozorg, Hossein; Bahrami, Zohreh; Tabatabaie, Masoumeh; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar","Poly[propane-1,3-diammonium [diaquatetrakis(μ~4~-benzene-1,2,4,5-tetracarboxylato)nickelate(II)] hemihydrate]","Acta Crystallographica Section E","2007","63","7","m2022","m2023","10.1107/S1600536807030978","","","0.71073","MoKα","","0.0287","0.0278","","","0.0719","0.0729","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2216082","16.4011","0.0003","7.1786","0.0001","14.2586","0.0002","90","","90","","90","","1678.76","0.05","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","","Poly[propane-1,3-diammonium [diaqua(μ~4~-4-benzene-1,2,4,5-tetracarboxylato)cobaltate(II)] hemihydrate]","","- C13 H19 Co N2 O10.5 -","- C13 H19 Co N2 O10.5 -","- C52 H76 Co4 N8 O42 -","4","0.5","OM2167","Aghabozorg, Hossein; Attar Gharamaleki, Jafar; Motyeian, Elham; Ghadermazi, Mohammad","Poly[propane-1,3-diammonium [diaqua(μ~4~-4-benzene-1,2,4,5-tetracarboxylato)cobaltate(II)] hemihydrate]","Acta Crystallographica Section E","2007","63","11","m2793","m2794","10.1107/S1600536807050659","","","0.71073","MoKα","","0.0224","0.0219","","","0.0655","0.066","","","","","","0.997","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2230799","12.9814","0.0004","6.5948","0.0002","10.7062","0.0003","90","","90","","90","","916.55","0.05","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","Disilver(I) tricobalt(II) hydrogenphosphate bis(phosphate)","","- Ag2 Co3 H O12 P3 -","- Ag2 Co3 H O12 P3 -","- Ag8 Co12 H4 O48 P12 -","4","0.5","MG2119","Assani, Abderrazzak; El Ammari, Lahcen; Zriouil, Mohammed; Saadi, Mohamed","Disilver(I) tricobalt(II) hydrogenphosphate bis(phosphate), Ag~2~Co~3~(HPO~4~)(PO~4~)~2~","Acta Crystallographica Section E","2011","67","7","i41","","10.1107/S1600536811022598","","","0.71073","MoKα","","0.028","0.0275","","","0.0634","0.0637","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230843","12.9233","0.0003","6.5678","0.0002","10.6629","0.0003","90","","90","","90","","905.04","0.04","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","Disilver(I) trinickel(II) hydrogenphosphate bis(phosphate)","","- Ag2 H Ni3 O12 P3 -","- Ag2 H Ni3 O12 P3 -","- Ag8 H4 Ni12 O48 P12 -","4","0.5","RU2005","Assani, Abderrazzak; El Ammari, Lahcen; Zriouil, Mohammed; Saadi, Mohamed","Disilver(I) trinickel(II) hydrogenphosphate bis(phosphate), Ag~2~Ni~3~(HPO~4~)(PO~4~)~2~","Acta Crystallographica Section E","2011","67","7","i40","","10.1107/S1600536811021167","","","0.71073","MoKα","","0.0249","0.0239","","","0.0591","0.0596","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4000171","14.099","0.002","10.2138","0.0013","8.051","0.001","90","","90","","90","","1159.4","0.3","193","2","193","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- H0 I3 N O13 V2 -","- I3 N O13 V2 -","- I12 N4 O52 V8 -","4","0.5","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0355","0.0353","","0.0823","0.0822","","","","1.167","1.17","1.17","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000172","14.1212","0.001","10.2392","0.0007","8.03","0.0006","90","","90","","90","","1161.06","0.14","193","2","193","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 O13 Rb V2 -","- I3 O13 Rb V2 -","- I12 O52 Rb4 V8 -","4","0.5","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0443","0.0442","","0.1179","0.1179","","","","1.244","1.244","1.244","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000173","14.181","0.001","10.3178","0.0008","8.0756","0.0007","90","","90","","90","","1181.6","0.2","193","2","193","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- Cs I3 O13 V2 -","- Cs I3 O13 V2 -","- Cs4 I12 O52 V8 -","4","0.5","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0302","0.0302","","0.0851","0.0851","","","","1.313","1.314","1.314","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000762","7.185","0.0015","9.1854","0.0019","21.544","0.005","90","","90","","90","","1421.8","0.5","298","2","298","2","","","","","","","","6","I m a 2","I 2 -2a","46","Cu-TBA-2F","","","- C11.16 H8 Cu F0.33 N5 O3 -","- C11.164 H8 Cu F0.334 N5 O3 -","- C44.656 H32 Cu4 F1.336 N20 O12 -","4","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0933","0.0723","","","0.1961","0.2091","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002515","14.7117","","5.515","","5.2813","","90","","90","","90","","428.498","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Ca2 Co1.237 Al0.763 O5","","- Al0.763 Ca2 Co1.237 O5 -","- Al0.763 Ca2 Co1.237 O5 -","- Al3.052 Ca8 Co4.948 O20 -","4","0.5","","Lambert, S.; Leligny, H.; Grebille, D.; Pelloquin, D.; Raveau, B.","Modulated distribution of differently ordered tetrahedral chains inthe brownmillerite structure","Chemistry of Materials (1,1989-)","2002","14","","1818","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","157203","2020-10-21","18:00:00",""
"4003058","7.320662","0.000007","10.370384","0.000012","7.330492","0.000009","90","","90","","90","","556.517","0.0011","100","","100","","","","","","","","","3","I m a 2","I 2 -2a","46","","","Cd2Nb2O7","- Cd0.98 Nb O3.45 -","- Cd0.98 Nb O3.45 -","- Cd7.84 Nb8 O27.6 -","8","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.09","","","","","","","has coordinates","220477","2020-10-21","18:00:00",""
"4003695","11.4701","0.0004","11.2676","0.0004","10.4804","0.0004","90","","90","","90","","1354.49","0.08","293","","293","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ga3 La2 O7.5 -","- Ga3 La2 O7.5 -","- Ga24 La16 O60 -","8","1","","Fan, Jintai; Sarou-Kanian, Vincent; Yang, Xiaoyan; Diaz-Lopez, Maria; Fayon, Franck; Kuang, Xiaojun; Pitcher, Michael J.; Allix, Mathieu","La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt","Chemistry of Materials","2020","32","20","9016","9025","10.1021/acs.chemmater.0c03441","powder diffraction","x-ray","0.41273","","","0.019","0.019","","0.0239","0.0239","","","","1.75","","","","","","","has coordinates","258706","2020-11-04","01:19:33",""
"4063983","29.5495","0.0002","16.3542","0.0005","8.1155","0.0009","90","","90","","90","","3921.9","0.5","150","2","150","2","","","","","","","synthesized by the authors","4","I m a 2","I 2 -2a","46","","","","- C20 H32 S2 Ti -","- C20 H32 S2 Ti -","- C160 H256 S16 Ti8 -","8","1","","Pinkas, Jiří; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reactions of Hydrogen Sulfide with Singly and Doubly Tucked-in Titanocenes","Organometallics","2011","30","5","1034","","10.1021/om1010726","","","0.71073","MoKα","","0.0353","0.0306","","","0.0784","0.0809","","","","","","1.065","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4071010","28.477","0.003","22.881","0.002","12.4585","0.0012","90","","90","","90","","8117.7","1.4","293","2","293","2","","","","","","","","6","I m a 2","I 2 -2a","46","2[C4H2S-2,3-(CCAg)2] ?10AgNO3","","","- C16 H4 Ag14 N10 O30 S2 -","- C16 H4 Ag14 N10 O30 S2 -","- C128 H32 Ag112 N80 O240 S16 -","8","1","","Zhao, Liang; Chen, Xu-Dong; Mak, Thomas C. W.","Silver(I)−Ethynide Supramolecular Synthons in the Assembly of π−π Stacked Infinite Columns⊥","Organometallics","2008","27","11","2483","","10.1021/om701201m","","","0.71073","MoKα","","0.0519","0.0349","","","0.0731","0.0817","","","","","","1.035","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4079446","14.2427","0.0015","12.4519","0.0013","11.2446","0.0011","90","","90","","90","","1994.2","0.4","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C19 H29 I N4 Pd -","- C19 H29 I N4 Pd -","- C76 H116 I4 N16 Pd4 -","4","0.5","","Tang, Fengzhi; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.","Detection of Pd(III) and Pd(IV) Intermediates during the Aerobic Oxidative C–C Bond Formation from a Pd(II) Dimethyl Complex","Organometallics","2012","31","18","6690","","10.1021/om300752w","","","0.71073","MoKα","","0.028","0.0243","","","0.053","0.0544","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4079859","6.8422","0.0003","24.1071","0.0012","15.0351","0.0008","90","","90","","90","","2480","0.2","296","2","296","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C25 H18 F6 N3 P Pt -","- C25 H18 F6 N3 P Pt -","- C100 H72 F24 N12 P4 Pt4 -","4","0.5","","Chen, Yong; Lu, Wei; Che, Chi-Ming","Luminescent Pincer-Type Cyclometalated Platinum(II) Complexes with Auxiliary Isocyanide Ligands: Phase-Transfer Preparation, Solvatomorphism, and Self-Aggregation","Organometallics","2013","32","1","350","","10.1021/om300965b","","","1.54178","CuKα","","0.0787","0.078","","","0.1993","0.2009","","","","","","1.083","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4085869","13.346","0.0004","15.9879","0.0004","16.7956","0.0005","90","","90","","90","","3583.75","0.18","123","","123","","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C20 H28 Au2 F12 N8 O3 P2 -","- C20 H28 Au2 F12 N8 O3 P2 -","- C80 H112 Au8 F48 N32 O12 P8 -","4","0.5","","Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.","Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study","Organometallics","2015","","","150128111349001","","10.1021/om5012402","","x-ray","0.71073","MoKα","","0.0143","0.0133","","","0.0292","0.0295","","","","","","1.068","","","","has coordinates","136850","2020-10-21","18:00:00",""
"4103897","9.142","0.004","6.37","0.003","5.889","0.003","90","","90","","90","","342.9","0.3","143","2","143","2","","","","","","","","3","I m a 2","I 2 -2a","46","","ammonia acetylene cocrystal","","- C2 H5 N -","- C2 H5.02 N -","- C8 H20.08 N4 -","4","0.5","","Roland Boese; Dieter Bläser; Georg Jansen","Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal","Journal of the American Chemical Society","2009","131","","2104","2106","10.1021/ja8059705","","","0.71073","MoKα","","0.052","0.0461","","","0.0929","0.0973","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103898","9.142","0.004","6.37","0.003","5.889","0.003","90","","90","","90","","342.9","0.3","293","2","293","2","","","","","","","","3","I m a 2","I 2 -2a","46","","ammonia acetylene cocrystal","","- C2 H5 N -","- C2 H5.02 N -","- C8 H20.08 N4 -","4","0.5","","Roland Boese; Dieter Bläser; Georg Jansen","Synthesis and Theoretical Characterization of an Acetylene-Ammonia Cocrystal","Journal of the American Chemical Society","2009","131","","2104","2106","10.1021/ja8059705","","","0.71073","MoKα","","0.0597","0.054","","","0.1361","0.1452","","","","","","0.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105915","14.136","0.003","10.201","0.0017","8.0638","0.0011","90","","90","","90","","1162.8","0.4","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 K O13 V2 -","- I3 K O13 V2 -","- I12 K4 O52 V8 -","4","0.5","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0456","0.0443","","","0.105","0.1057","","","","","","1.133","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106480","16.8925","0.0006","17.2396","0.0006","7.5829","0.0003","90","","90","","90","","2208.29","0.14","153","2","153","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C24 H24 Cl Ir N2 O2 -","- C24 H24 Cl Ir N2 O2 -","- C96 H96 Cl4 Ir4 N8 O8 -","4","0.5","","Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn","Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks","Journal of the American Chemical Society","2011","133","","11496","11499","10.1021/ja205021p","","","0.71073","MoKα","","0.0215","0.0204","","","0.0489","0.0493","","","","","","1.06","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4130016","13.6081","0.0005","9.9487","0.0004","9.4287","0.0003","90","","90","","90","","1276.48","0.08","173","0.1","173","0.1","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C8 H10 Cu N6 O7 -","- C8 H8 Cu N6 O7 -","- C32 H32 Cu4 N24 O28 -","4","0.5","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","x-ray","0.71073","MoKα","","0.0699","0.0475","","","0.1007","0.1094","","","","","","1.057","","","","has coordinates","240610","2020-10-21","18:00:00",""
"4309403","23.084","0.003","9.3783","0.0011","20.097","0.003","90","","90","","90","","4350.8","1","295","2","295","2","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C32 H64 Br2 Cl2 N8 Ni2 O9 -","- C32 H62 Br2 N8 Ni2 -","- C128 H248 Br8 N32 Ni8 -","4","0.5","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.0747","0.05","","","0.1268","0.1349","","","","","","0.916","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4335066","21.7325","0.0003","14.04059","0.00014","7.83516","0.00008","90","","90","","90","","2390.8","0.05","99.9","0.3","99.9","0.3","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C25 H30 N4 O5 -","- C25 H30 N4 O5 -","- C100 H120 N16 O20 -","4","0.5","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.7107","MoKα","","0.0607","0.0579","","","0.1563","0.1599","","","","","","1.126","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4338753","17.4661","0.0016","12.7435","0.0011","7.2505","0.0006","90","","90","","90","","1613.8","0.2","298","2","298","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C10 H14 Cu I N4 -","- C10 H14 Cu I N4 -","- C40 H56 Cu4 I4 N16 -","4","0.5","","He, Jun; Duan, Jingjing; Shi, Huatian; Huang, Jian; Huang, Jiahong; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Immobilization of Volatile and Corrosive Iodine Monochloride (ICl) and I2 Reagents in a Stable Metal-Organic Framework.","Inorganic chemistry","2014","53","13","6837","6843","10.1021/ic500677t","","","0.71073","MoKα","","0.0274","0.0257","","","0.0639","0.0648","","","","","","1.085","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338754","17.0405","0.0011","13.6295","0.0011","7.4617","0.0005","90","","90","","90","","1733","0.2","298","2","298","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C10 H14 Cu I3 N4 -","- C10 H14 Cu I3 N4 -","- C40 H56 Cu4 I12 N16 -","4","0.5","","He, Jun; Duan, Jingjing; Shi, Huatian; Huang, Jian; Huang, Jiahong; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Immobilization of Volatile and Corrosive Iodine Monochloride (ICl) and I2 Reagents in a Stable Metal-Organic Framework.","Inorganic chemistry","2014","53","13","6837","6843","10.1021/ic500677t","","","0.71073","MoKα","","0.0997","0.0591","","","0.1122","0.1283","","","","","","1.038","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338755","17.1","0.008","13.303","0.006","7.297","0.003","90","","90","","90","","1659.9","1.3","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C10 H14 Cl Cu I2 N4 -","- C10 H14 Cl Cu I2 N4 -","- C40 H56 Cl4 Cu4 I8 N16 -","4","0.5","","He, Jun; Duan, Jingjing; Shi, Huatian; Huang, Jian; Huang, Jiahong; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Immobilization of Volatile and Corrosive Iodine Monochloride (ICl) and I2 Reagents in a Stable Metal-Organic Framework.","Inorganic chemistry","2014","53","13","6837","6843","10.1021/ic500677t","","","0.71073","MoKα","","0.0761","0.0597","","","0.1443","0.1571","","","","","","1.085","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4350533","7.4022","0.0004","11.0853","0.0006","19.2932","0.001","90","","90","","90","","1583.12","0.15","90","2","90","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C2 H2 Cu2.5 I2 N3 -","- C2 H2 Cu2.5005 I2 N3 -","- C16 H16 Cu20.004 I16 N24 -","8","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0546","0.054","","","0.1343","0.1348","","","","","","1.053","","","","has coordinates,has disorder","239928","2020-10-21","18:00:00",""
"4503167","6.5444","0.0003","30.2468","0.0013","7.2194","0.0003","90","","90","","90","","1429.06","0.11","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C14 H8 Ca O7 -","- C14 H8 Ca O7 -","- C56 H32 Ca4 O28 -","4","0.5","","Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Loiseau, Thierry","Hydrothermal Crystallization of Three Calcium-Based Hybrid Solids with 2,6-Naphthalene- or 4,4′-Biphenyl-Dicarboxylates","Crystal Growth & Design","2008","8","2","685","","10.1021/cg700685g","","","0.71073","MoKα","","0.0684","0.0516","","","0.1554","0.1791","","","","","","1.213","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503846","17.596","0.007","12.418","0.005","7.181","0.003","90","","90","","90","","1569.1","1.1","293","2","293","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C10 H15 Br Cu N4 O0.5 -","- C10 H14 Br Cu N4 O0.5 -","- C40 H56 Br4 Cu4 N16 O2 -","4","0.5","","Xie, Yi-Ming; Liu, Jiu-Hui; Wu, Xiao-Yuan; Zhao, Zhen-Guo; Zhang, Qi-Sheng; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong","New Ferroelectric and Nonlinear Optical Porous Coordination Polymer Constructed from a Rare (CuBr)∞Castellated Chain","Crystal Growth & Design","2008","8","11","3914","","10.1021/cg800624z","","","0.71073","MoKα","","0.0287","0.028","","","0.0741","0.0744","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509230","20.501","0.004","9.79","0.002","7.8907","0.0016","90","","90","","90","","1583.7","0.6","113.15","","113.15","","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C6 H20 Cl0 N8 O6 Zn -","- C6 H20 N8 O6 Zn -","- C24 H80 N32 O24 Zn4 -","4","0.5","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0315","0.0297","","","0.0734","0.0757","","","","","","0.904","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4518403","8.8547","0.0003","20.5457","0.0009","7.979","0.0003","90","","90","","90","","1451.59","0.1","250","2","250","","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C12 H28 I6 N2 O4 Pb2 -","- C12 H28 I6 N2 O4 Pb2 -","- C24 H56 I12 N4 O8 Pb4 -","2","0.25","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0493","0.0397","","","0.0989","0.1043","","","","","","1.059","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"7001839","40.116","0.004","15.0126","0.0013","11.1975","0.0009","90","","90","","90","","6743.6","1","120","2","120","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C48 H60 Cl6 Co3 N12 -","- C48 H60 Cl6 Co3 N12 -","- C192 H240 Cl24 Co12 N48 -","4","0.5","","Willans, Charlotte E.; French, Sara; Barbour, Leonard J.; Gertenbach, Jan-André; Junk, Peter C.; Lloyd, Gareth O.; Steed, Jonathan W.","A catenated imidazole-based coordination polymer exhibiting significant CO2 sorption at low pressure","Dalton Transactions","2009","","33","6480","6482","10.1039/b911265k","","","0.71073","MoKα","","0.0735","0.0551","","","0.1228","0.1308","","","","","","0.942","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7001840","40.1816","0.0008","15.0535","0.0003","11.1487","0.0002","90","","90","","90","","6743.6","0.2","120","2","120","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C48 H60 Cl6 Co3 N12 -","- C48 H60 Cl6 Co3 N12 -","- C192 H240 Cl24 Co12 N48 -","4","0.5","","Willans, Charlotte E.; French, Sara; Barbour, Leonard J.; Gertenbach, Jan-André; Junk, Peter C.; Lloyd, Gareth O.; Steed, Jonathan W.","A catenated imidazole-based coordination polymer exhibiting significant CO2 sorption at low pressure","Dalton Transactions","2009","","33","6480","6482","10.1039/b911265k","","","0.71073","MoKα","","0.0445","0.0352","","","0.0871","0.0923","","","","","","0.817","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7014615","40.116","0.004","15.0126","0.0013","11.1975","0.0009","90","","90","","90","","6743.6","1","120","2","120","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C48 H60 Cl6 Co3 N12 -","- C48 H60 Cl6 Co3 N12 -","- C192 H240 Cl24 Co12 N48 -","4","0.5","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.0735","0.0551","","","0.1228","0.1308","","","","","","0.942","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014616","40.1816","0.0008","15.0535","0.0003","11.1487","0.0002","90","","90","","90","","6743.6","0.2","120","2","120","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C48 H60 Cl6 Co3 N12 -","- C48 H60 Cl6 Co3 N12 -","- C192 H240 Cl24 Co12 N48 -","4","0.5","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.0445","0.0352","","","0.0871","0.0923","","","","","","0.817","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7015044","26.694","0.003","16.95","0.002","11.046","0.002","90","","90","","90","","4997.9","1.2","203","2","203","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C14 H6 As2 Fe4 O12 Te2 -","- C14 H6 As2 Fe4 O12 Te2 -","- C112 H48 As16 Fe32 O96 Te16 -","8","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","","0.56087","AgKα","","0.0407","0.033","","","0.0761","0.0798","","","","","","1.033","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7022830","14.1143","0.0017","10.2116","0.0012","8.0319","0.0009","90","","90","","90","","1157.6","0.2","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 O13 Tl V2 -","- I3 O13 Tl V2 -","- I12 O52 Tl4 V8 -","4","0.5","","Huang, Chao; Hu, Chun-Li; Xu, Xiang; Yang, Bing-Ping; Mao, Jiang-Gao","Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7051","7058","10.1039/c3dt33107e","","","0.71073","MoKα","","0.0431","0.0409","","","0.0898","0.0908","","","","","","1.077","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7024460","10.987","0.004","7.679","0.002","8.6446","0.0015","90","","90","","90","","729.3","0.4","150","0.2","150","","","","","","","","","5","I m a 2","I 2 -2a","46","Compound 2","","","- C5 H6 N2 O2 Zn -","- C5 H6 N2 O2 Zn -","- C20 H24 N8 O8 Zn4 -","4","0.5","","Martins, Gesley A. V.; Byrne, Peter J.; Allan, Phoebe; Teat, Simon J.; Slawin, Alexandra M. Z.; Li, Yang; Morris, Russell E.","The use of ionic liquids in the synthesis of zinc imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1758","1762","10.1039/b917348j","","","0.7749","Synchrotron","","0.0538","0.0527","","","0.1473","0.1478","","","","","","1.089","","","","has coordinates,has disorder","179949","2020-10-21","18:00:00",""
"7024902","18.483","0.003","11.8808","0.0016","6.8857","0.0009","90","","90","","90","","1512.1","0.4","298","2","298","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C7 H10 Cu3 I4 N -","- C7 H10 Cu3 I4 N -","- C28 H40 Cu12 I16 N4 -","4","0.5","","Hou, Juan-Juan; Li, Shi-Li; Li, Cui-Rui; Zhang, Xian-Ming","In situ alkylation of N-heterocycles in organic templated cuprous halides.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2701","2707","10.1039/b922583h","","","0.71073","MoKα","","0.0597","0.0438","","","0.1214","0.1895","","","","","","1.18","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7031730","28.09","0.002","13.7216","0.0009","10.9264","0.0007","90","","90","","90","","4211.5","0.5","133","2","133","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C16 H26 N2 Ni O2 -","- C16 H26 N2 Ni O2 -","- C128 H208 N16 Ni8 O16 -","8","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.097","0.0802","","","0.209","0.2185","","","","","","1.045","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7109595","37.755","0.019","13.781","0.007","29.867","0.013","90","","90","","90","","15540","13","90","2","90","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C27 H15 Cu O9 -","- C27 H15 Cu O9 -","- C216 H120 Cu8 O72 -","8","1","","Bappaditya Gole; Arun Kumar Bar; Arijit Mallick; Rahul Banerjee; Partha Sarathi Mukherjee","An electron rich porous extended framework as a heterogeneous catalyst for Diels-Alder reactions","Chem.Commun.","2013","49","","7439","","10.1039/c3cc43681k","","","0.71073","MoKα","","0.247","0.0718","","","0.1906","0.2558","","","","","","0.453","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7115398","7.9645","0.001","10.138","0.006","6.1945","0.001","90","","90","","90","","500.2","0.3","293","","293","","","","83000","","","","","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0537","0.0451","","0.1042","0.0931","0.1042","","","","","","0.9518","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115399","8.0121","0.0013","9.646","0.006","6.2169","0.0015","90","","90","","90","","480.5","0.3","293","","293","","","","830000","","","","","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0711","0.0581","","0.1092","0.105","0.1092","","","","","","1.0434","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115400","8.0667","0.0005","9.7791","0.0006","6.2784","0.0004","90","","90","","90","","495.27","0.05","100","","293","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0241","0.0219","","0.0501","0.0488","0.0501","","","","","","0.9946","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115401","8.0636","0.0008","9.7766","0.0009","6.2791","0.0006","90","","90","","90","","495.01","0.08","100","","100","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0273","0.0256","","0.0532","0.0517","0.0532","","","","","","1.0113","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115402","8.047","0.005","9.871","0.005","6.261","0.005","90","","90","","90","","497.3","0.6","150","","150","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0314","0.0279","","0.061","0.0584","0.061","","","","","","1.0265","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115403","8.0584","0.0006","9.8752","0.0008","6.2692","0.0005","90","","90","","90","","498.89","0.07","150","","150","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0265","0.0229","","0.0459","0.0412","0.0454","","","","","","1.0363","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115404","8.026","0.0006","9.968","0.001","6.2459","0.0004","90","","90","","90","","499.69","0.07","200","","200","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0341","0.03","","0.0626","0.0602","0.0626","","","","","","1.0248","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115405","8.028","0.0006","9.9637","0.001","6.2461","0.0005","90","","90","","90","","499.62","0.07","200","","200","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0326","0.027","","0.054","0.054","0.0568","","","","","","1.0252","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115406","8.0174","0.0006","10.0853","0.0011","6.2353","0.0005","90","","90","","90","","504.17","0.08","250","","250","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0411","0.0319","","0.0585","0.0552","0.0585","","","","","","1.0498","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7117641","21.403","0.006","34.255","0.009","8.023","0.002","90","","90","","90","","5882","3","173","2","173","2","","","","","","","","5","I m a 2","I 2 -2a","46","TCM-9","Holmium-BETB MOF","","- C36 H30 Ho N O11 -","- C36 H15 Ho N O11 -","- C144 H60 Ho4 N4 O44 -","4","0.5","","Gerard Tobin; Steve Comby; Nianyong Zhu; Rodolphe Clerac; Thorfinnur Gunnlaugsson; Wolfgang Schmitt","Towards multifunctional lanthanide-based metal-organic frameworks","Chem.Commun.","2015","51","","13313","","10.1039/C5cc04928H","","","1.54184","CuKα","","0.213","0.1469","","","0.3668","0.4213","","","","","","1.507","","","","has coordinates","153726","2020-10-21","18:00:00",""
"7158729","7.0326","0.0003","30.5918","0.0013","10.368","0.0004","90","","90","","90","","2230.57","0.16","150","2","149.99","","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C19 H12 S7 Si -","- C19 H12 S7 Si -","- C76 H48 S28 Si4 -","4","0.5","","Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00800A","","","0.71073","MoKα","","0.0237","0.0235","","","0.0618","0.062","","","","","","1.016","","","","has coordinates,has disorder","275966","2022-06-11","00:28:57",""
"7205853","17.4216","0.001","10.6092","0.0006","7.4959","0.0004","90","","90","","90","","1385.46","0.13","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H10 Ba N2 O8 -","- C12 H11 Ba N2 O8 -","- C48 H44 Ba4 N8 O32 -","4","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0387","0.0389","","","","","","1.173","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7210717","24.5212","0.0018","11.1701","0.0008","12.2369","0.0008","90","","90","","90","","3351.7","0.4","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C30 H30 N4 Ni O10 S -","- C30 H26 N4 Ni O10 S -","- C120 H104 N16 Ni4 O40 S4 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0683","0.0622","","","0.1706","0.176","","","","","","1.091","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210753","16.3306","0.0003","8.9356","0.0003","8.2884","0.0002","90","","90","","90","","1209.47","0.05","298","","298","","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C4 H8 Al Cu F5 N8 O -","- C4 H8 Al Cu F5 N8 O -","- C16 H32 Al4 Cu4 F20 N32 O4 -","4","0.5","","Cadiau, Amandine; Auguste, Sandy; Taulelle, Francis; Martineau, Charlotte; Adil, Karim","Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu‒Al fluorinated MOF","CrystEngComm","2013","15","17","3430","","10.1039/c3ce40099a","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7535","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213902","28.41","0.008","8.844","0.003","7.497","0.002","90","","90","","90","","1883.7","1","173","2","173","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C19 H19 Mn N O7 -","- C19 H12 Mn N O7 -","- C76 H48 Mn4 N4 O28 -","4","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0469","0.0417","","","0.1091","0.1231","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217743","29.1847","0.0011","21.2385","0.0007","19.7536","0.0006","90","","90","","90","","12244.1","0.7","214","0.9","214","0.9","","","","","","","","6","I m a 2","I 2 -2a","46","Ni9-SO4.29H2O","Ni9-SO4","","- C70 H130 N20 Ni9 O57 S -","- C70 H68 N20 Ni9 O28 S -","- C280 H272 N80 Ni36 O112 S4 -","4","0.5","","jones, leigh Fon; McDonald, Cecelia; Brechin, Euan Kenneth; Sanz, Sergio; Rajaraman, Gopalan; Singh, Mukesh Kumar; Gaynor, Declan","High Nuclearity Ni(II) Cages from Hydroxamate Ligands","RSC Advances","2014","","","","","10.1039/C4RA06064D","","","0.7107","MoKα","","0.0844","0.0598","","","0.1455","0.1531","","","","","","0.964","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7219485","13.9718","0.0003","9.84","0.0002","11.9523","0.0003","90","","90","","90","","1643.23","0.06","150","2","150","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C8 H17 Cl4 N3 O4 Sn -","- C8 H17 Cl4 N3 O4 Sn -","- C32 H68 Cl16 N12 O16 Sn4 -","4","0.5","","Arjmand, Farukh; Yousuf, Imtiyaz; Zaidi, Yusra; Toupet, Loic","Crystal structure determination, spectroscopic characterization and biological profile of a tailored ionic molecular entity, Sn(iv) iminodiacetic acid‒piperazinediium conjugate: in vitro DNA/RNA binding studies, Topo I inhibition activity, cytotoxic and systemic toxicity studies","RSC Adv.","2015","5","21","16250","","10.1039/C4RA13718C","","","0.71073","MoKα","","0.0202","0.0188","","","0.0386","0.0388","","","","","","1","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7220791","6.8849","0.0006","19.6618","0.0016","6.4413","0.0005","90","","90","","90","","871.96","0.12","293","2","293","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C6 H8 N Na O5 -","- C6 H8 N Na O5 -","- C24 H32 N4 Na4 O20 -","4","0.5","","Kumar, Binay; Dalal, Jyoti; Sinha, Nidhi; Yadav, Harsh","Structural, electrical, ferroelectric and mechanical properties with Hirshfeld surface analysis of novel NLO semiorganic sodium p-nitrophenolate dihydrate piezoelectric single crystal","RSC Adv.","2015","","","","","10.1039/C5RA10501C","","","0.71073","MoKα","","0.0294","0.0289","","","0.0723","0.0727","","","","","","1.05","","","","has coordinates","139315","2020-10-21","18:00:00",""
"7237140","9.7764","0.0005","28.1748","0.0014","7.1892","0.0004","90","","90","","90","","1980.25","0.18","173","2","173","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C28 H40 Cl2 Eu2 N2 O20 -","- C28 H20 Cl2 Eu2 N2 O12 -","- C56 H40 Cl4 Eu4 N4 O24 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","1.54178","CuKα","","0.0671","0.0668","","","0.1818","0.1825","","","","","","0.996","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7237141","9.7765","0.0004","28.3415","0.0011","7.1889","0.0003","90","","90","","90","","1991.91","0.14","296","2","296","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C34 H37 Cl2 Eu2 N3 O15 -","- C34 H25 Cl2 Eu2 N3 O12.5 -","- C68 H50 Cl4 Eu4 N6 O25 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","0.71073","MoKα","","0.0274","0.0257","","","0.0758","0.077","","","","","","1.086","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7249492","31.5957","0.0019","16.8364","0.0009","28.2441","0.0016","90","","90","","90","","15024.7","1.5","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","Hacac@UoC-9(Ca)","","","- C93 H55 Ca5 F9 O27 -","- C93 H55 Ca5 F9 O27 -","- C372 H220 Ca20 F36 O108 -","4","0.5","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","1.54178","CuKα","","0.0666","0.0608","","","0.1586","0.1658","","","","","","1.045","","","","has coordinates,has disorder","296446","2024-12-06","17:26:00",""
"7249497","31.8875","0.0014","16.6009","0.0007","28.7479","0.0011","90","","90","","90","","15218","1.1","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C117.76 H83.26 Ca5 F9 N7.25 O25 -","- C117.764 H83.26 Ca5 F9 N7.252 O25 -","- C471.056 H333.04 Ca20 F36 N29.008 O100 -","4","0.5","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.0491","0.0478","","","0.1379","0.1408","","","","","","1.068","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7705126","30.2657","0.0013","10.5305","0.0004","7.1124","0.0003","90","","90","","90","","2266.81","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C24 H28 N2 O6 Zn -","- C24 H28 N2 O6 Zn -","- C96 H112 N8 O24 Zn4 -","4","0.5","","Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R.","Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12009","12017","10.1039/d0dt02437f","","","1.54184","CuKα","","0.0603","0.0558","","","0.1494","0.1599","","","","","","1.048","","","","has coordinates","256110","2020-10-21","18:00:00",""
"7712780","33.367","0.003","16.739","0.0017","28.876","0.003","90","","90","","90","","16128","3","270","2","270","2","","","","","","","","6","I m a 2","I 2 -2a","46","UoC-9(Sr), RT","","","- C98 H74 F9 N5 O26 Sr5 -","- C98 H74 F9 N5 O26 Sr5 -","- C392 H296 F36 N20 O104 Sr20 -","4","0.5","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","0.56086","AgKα","","0.0642","0.0424","","","0.0949","0.1053","","","","","","1.008","","","","has coordinates,has disorder","282680","2023-04-17","23:01:46",""
"7712781","32.005","0.0009","16.563","0.0004","28.8501","0.0015","90","","90","","90","","15293.4","1","300","2","300","2","","","","","","","Synthesized from calciumnitrate with 3F-BTB in DMF/HOAc mixture","6","I m a 2","I 2 -2a","46","UoC-9(Ca), RT","","","- C98 H74 Ca5 F9 N5 O26 -","- C98 H74 Ca5 F9 N5 O26 -","- C392 H296 Ca20 F36 N20 O104 -","4","0.5","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","1.54178","CuKα","","0.0439","0.0384","","","0.1014","0.1047","","","","","","1.009","","","","has coordinates,has disorder","282680","2023-04-17","23:01:48",""
"8107119","30.715","0.003","7.8833","0.0008","5.8202","0.0006","90","","90","","90","","1409.3","0.2","296","2","296","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C14 H12 Cd O7 -","- C14 H12 Cd O7 -","- C56 H48 Cd4 O28 -","4","0.5","","Guang-Ming, Bao; Wei, Xiao; Ting-Ting, Sun; Chun-Yan, Hu; Yi-Hua, Wang; Hou-Qun, Yuan","Crystal structure of poly-[aqua-μ 2-aqua-μ 2-(4,4′-oxybis(benzoato)-κ 4 O,O′:O′′,O′′′)cadmium(II)], C14H12O7Cd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1121","1122","10.1515/ncrs-2016-0084","","","0.71073","MoKα","","0.016","0.0159","","","0.0399","0.04","","","","","","1.195","","","","has coordinates","282940","2023-05-02","08:34:06",""
"9006289","10.217","","7.9579","","4.9565","","90","","90","","90","","402.993","","","","","","","","","","","","","2","I m a 2","I 2 -2a","46","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 6","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9015674","10.4","","13.85","","8.1","","90","","90","","90","","1166.72","","","","","","","","","","","","","5","I m a 2","","","","","Batisite","- Ba Na2 O14 Si4 Ti2 -","- Ba Na2 O14 Si4 Ti2 -","- Ba4 Na8 O56 Si16 Ti8 -","4","0.5","","Nikitin, A. V.; Belov, N. V.","Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12]","Doklady Akademii Nauk SSSR","1962","146","","1401","1403","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""