# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:38:31+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 1 2/c 1' 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
"1001397","5.6479","0.0002","5.6672","0.0002","7.9859","0.0002","90","","90.1","0.01","90","","255.6","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Barium lanthanum zinc ruthenate(V)","","- Ba La O6 Ru Zn -","- Ba La O6 Ru Zn -","- Ba2 La2 O12 Ru2 Zn2 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001398","5.6364","0.0002","5.6621","0.0002","7.9686","0.0002","90","","90.077","0.007","90","","254.3","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Barium lanthanum zinc ruthenate(V)","","- Ba La O6 Ru Zn -","- Ba La O6 Ru Zn -","- Ba2 La2 O12 Ru2 Zn2 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.102","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001399","5.5379","0.0003","5.5429","0.0003","7.8772","0.0001","90","","90.11","0.01","90","","241.8","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Distrontium iron(III) ruthenate(V)","","- Fe O6 Ru Sr2 -","- Fe O6 Ru Sr2 -","- Fe2 O12 Ru2 Sr4 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001400","5.5092","0.0003","5.5138","0.0003","7.8752","0.0001","90","","90.13","0.01","90","","239.2","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Distrontium iron(III) ruthenate(V)","","- Fe O6 Ru Sr2 -","- Fe O6 Ru Sr2 -","- Fe2 O12 Ru2 Sr4 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.108","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001401","5.6093","0.0003","5.6154","0.0003","7.9571","0.0002","90","","90.16","0.01","90","","250.6","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Barium lanthanum nickel ruthenate(V)","","- Ba La Ni O6 Ru -","- Ba La Ni O6 Ru -","- Ba2 La2 Ni2 O12 Ru2 -","2","0.25","","Battle, P D; Gibb, T C; Jones, C W; Studer, F","Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~","Journal of Solid State Chemistry","1989","78","","281","293","10.1016/0022-4596(89)90109-6","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509689","6.082","","8.715","","6.556","","90","","93.69","","90","","346.778","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Ag2 Pb O2","","- Ag2 O2 Pb -","- Ag2 O2 Pb -","- Ag8 O8 Pb4 -","4","0.5","","Evers, L.; Bystroem, A.","The crystal structures of Ag2 Pb O2 and Ag5 Pb2 O6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","613","627","10.3891/acta.chem.scand.04-0613","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509690","6.0775","","8.704","","6.553","","90","","93.545","","90","","345.981","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Ag2 Pb O2","","- Ag2 O2 Pb -","- Ag2 O2 Pb -","- Ag8 O8 Pb4 -","4","0.5","","Jansen, M.; Bortz, M.","Ag2 Pb O2, Optimierung der Kristallzuechtung und Verfeinerung der Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","579","","123","128","10.1002/zaac.19895790114","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510914","6.28","","8.02","","7.8","","90","","93","","90","","392.313","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Gd (B O2)3","","- B3 Gd O6 -","- B3 Gd O6 -","- B12 Gd4 O24 -","4","0.5","","Dzhafarov, G.G.; Mamedov, Kh.S.; Abdullaev, G.K.","Crystal structure of the metaborates Sm (B O2)3 and Gd (B O2)3","Kristallografiya","1975","20","","265","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510941","6.4","","8.08","","8.03","","90","","94","","90","","414.236","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Nd (B O2)3","","- B3 Nd O6 -","- B3 Nd O6 -","- B12 Nd4 O24 -","4","0.5","","Sil'nitskaya, G.B.; Medvedev, A.V.; Pakhomov, V.I.; Dzhurinskii, B.F.","The crystal structure of neodymium metaborate","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1972","8","","1259","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510947","6.33","","8.06","","7.85","","90","","93","","90","","399.957","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Sm (B O2)3","","- B3 O6 Sm -","- B3 O6 Sm -","- B12 O24 Sm4 -","4","0.5","","Mamedov, Kh.S.; Dzhafarov, G.G.; Abdullaev, G.K.","Crystal structures of the metaborates Sm (B O2)3 and Gd (B O2)3","Kristallografiya","1975","20","","265","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517830","7.3641","0.0005","5.6583","0.0004","31.688","0.002","90","","93.358","0.006","90","","1318.12","0.15","291.47","0.1","291.47","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C15 H12 Br N3 -","- C15 H11 Br N3 -","- C60 H44 Br4 N12 -","4","0.5","","Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions.","Organic letters","2014","16","19","5108","5111","10.1021/ol502431b","","","0.71073","MoKα","","0.0945","0.0712","","","0.1841","0.2115","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518419","17.688","0.0016","10.0067","0.0007","21.9732","0.0018","90","","100.303","0.008","90","","3826.5","0.5","296","1","296","1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Yang, Xiu-Long; Chen, Fei; Zhou, Neng-Neng; Yu, Wei; Han, Bing","Synthesis of isoxazoline-functionalized phenanthridines via iminoxyl radical-participated cascade sequence.","Organic letters","2014","16","24","6476","6479","10.1021/ol503335k","","","0.71073","MoKα","","0.1035","0.0712","","","0.1743","0.2006","","","","","","1.038","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1518541","19.4827","0.0005","7.7013","0.0002","30.1416","0.0007","90","","101.758","0.002","90","","4427.61","0.19","175","","175","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C36 H66 N4 O16 S4 -","- C36 H66 N4 O16 S4 -","- C144 H264 N16 O64 S16 -","4","0.5","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0885","0.0746","","0.083","0.0767","0.0767","","","","","","1.0486","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520930","16.815","","9.606","","21.252","","90","","91.72","","90","","3431.18","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(Cu (C3 H6 (N H2)2)) (Ni (C N)4)","","- C7 H10 Cu N6 Ni -","- C7 Cu N6 Ni -","- C56 Cu8 N48 Ni8 -","8","1","","Cernak, J.; Lipkowski, J.","Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1999","130","","1195","1206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524371","5.446","","11.207","","5.137","","90","","94.7","","90","","312.474","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ca Th Nb2 O8","","- Ca Nb2 O8 Th -","- Ca Nb2 O8 Th -","- Ca2 Nb4 O16 Th2 -","2","0.25","","Fonteneau, G.; l'Helgoualch, H.; Lucas, J.","Les niobates Ca U Nb2 O8 et M Th Nb2 O8 (M= Ca, Sr, Cd). Etudes des transformations monoclinique - quadratique","Materials Research Bulletin","1977","12","","25","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525401","5.5735","","11.5418","","5.2159","","90","","94.07","","90","","334.683","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","La (Nb O4)","","- La Nb O4 -","- La Nb O4 -","- La4 Nb4 O16 -","4","0.5","","Tsunekawa, S.; Takei, H.","Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals","Physica Status Solidi, Sectio A: Applied Research","1978","50","","695","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525402","5.4753","","11.2905","","5.1493","","90","","94.578","","90","","317.308","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Nd Nb O4","","- Nb Nd O4 -","- Nb Nd O4 -","- Nb4 Nd4 O16 -","4","0.5","","Tsunekawa, S.; Takei, H.","Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals","Physica Status Solidi, Sectio A: Applied Research","1978","50","","695","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528708","8.1146","","10.4496","","7.5963","","90","","94.349","","90","","642.268","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","K Eu (W O4)2","","- Eu K O8 W2 -","- Eu K O8 W2 -","- Eu4 K4 O32 W8 -","4","0.5","","Macalik, L.; Tomaszewski, P.E.; Lisiecki, R.; Hanuza, J.","The crystal structure, vibrational and luminescence properties of the nanocrystalline K Eu (W O4)2 and K Gd (W O4)2:Eu(3+) obtained by the Pechini method","Journal of Solid State Chemistry","2008","181","","2591","2600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528830","20.068","","8.259","","9.099","","90","","106.35","","90","","1447.1","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Zn2 (P2 O7)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O84 P24 Zn24 -","12","1.5","","Robertson, B.E.; Calvo, C.","Crystal structure of alpha Zn2 P2 O7","Journal of Solid State Chemistry","1970","1","","120","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528967","5.5626","","11.519","","5.2013","","90","","94.06","","90","","332.44","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","La (Nb O4)","","- La Nb O4 -","- La Nb O4 -","- La4 Nb4 O16 -","4","0.5","","Vullum, F.; Nitsche, F.; Grande, T.; Selbach, S.M.","Solid solubility and phase transitions in the system La Nb(1-x) Ta(x) O4","Journal of Solid State Chemistry","2008","181","","2580","2585","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528969","12.065","","6.454","","9.937","","90","","107.09","","90","","739.603","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Mn2 F (P O4)","","- F Mn2 O4 P -","- F Mn2 O4 P -","- F8 Mn16 O32 P8 -","8","1","","Waldrop, L.","Crystal structure of triplite","Naturwissenschaften","1968","55","","178","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529511","6.509","","8.172","","7.983","","90","","93.43","","90","","423.867","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","La (B O2)3","","- B3 La O6 -","- B3 La O6 -","- B12 La4 O24 -","4","0.5","","Abdullaev, G.K.; Mamedov, Kh.S.; Dzhafarov, G.G.","The refined crystal structure of lanthanum metaborate La (B O2)3","Kristallografiya","1981","26","","837","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530378","14.676","","6.28","","15.254","","90","","101.78","","90","","1376.28","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- Cu6 Mo5 O18 -","- Cu6 Mo5 O18 -","- Cu24 Mo20 O72 -","4","0.5","","McCarron, E.M.; Calabrese, J.C.","Hydrothermal synthesis and structure of (Cu(+))6 (Mo(6+))5 O18","Journal of Solid State Chemistry","1986","62","","64","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530601","15.92","","11.39","","5.508","","90","","92","","90","","998.151","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Nd2 W O6","","- Nd2 O6 W -","- Nd2 O6 W -","- Nd16 O48 W8 -","8","1","","Polyanskaya, T.M.; Borisov, S.V.; Belov, N.V.","A new form of the Scheelite structural type: crystal structure of Nd2 W O6","Doklady Akademii Nauk SSSR","1970","193","","83","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535665","12.987","","7.708","","11.772","","90","","92.58","","90","","1177.23","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Ti (Al Cl4)2","","- Al2 Cl8 Ti -","- Al2 Cl8 Ti -","- Al8 Cl32 Ti4 -","4","0.5","","Troyanov, S.I.","Crystal structure of titanium(II) chloroaluminates Ti(AlCl4)2 and refinement of AlCl3 crystal structure.","Zhurnal Neorganicheskoi Khimii","1992","37","","266","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542037","8.916","","7.832","","9.425","","90","","93.65","","90","","656.814","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba (Cl O3)2 (H2 O)","","- Ba Cl2 H2 O7 -","- Ba Cl2 H2 O7 -","- Ba4 Cl8 H8 O28 -","4","0.5","","Sikka, S.K.; Momin, S.N.; Rajagopal, H.; Chidambaram, R.","Neutron-diffraction Refinement of the Crystal Structure of Barium Chlorate Monohydrate Ba (Cl O3)2 H2 O","Journal of Chemical Physics","1968","48","","1883","1890","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545629","9.08","0.004","6.614","0.002","7.696","0.003","90","","115.16","0.03","90","","418.3","0.3","","","293","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- Ca F5 Ti -","- Ca F5 Ti -","- Ca4 F20 Ti4 -","4","0.5","","Eicher, S. M.; Greedan, J. E.","Crystal structures and magnetic properties of BaTiF5 and CaTiF5","Journal of Solid State Chemistry","1984","52","","12","21","10.1016/0022-4596(84)90193-2","","x-ray","0.71069","MoKα","","","0.0177","","","0.0211","","","","","","","","","","","has coordinates","194451","2020-10-21","18:00:00",""
"1548244","14.9948","0.0005","15.5788","0.0005","35.0105","0.0012","90","","94.405","0.004","90","","8154.3","0.5","293.33","0.1","293.33","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C44 H28 N2 O12 Tb -","- C44 H28 N2 O12 Tb -","- C352 H224 N16 O96 Tb8 -","8","1","","Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi","Novel double layer lanthanide metal-organic networks for sensing applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","465","474","10.1039/c7dt03604c","","x-ray","0.71","MoKα","","0.094","0.0587","","","0.138","0.1677","","","","","","1.01","","","","has coordinates","229562","2020-10-21","18:00:00",""
"1548245","15.0374","0.0006","15.5766","0.0007","35.0554","0.0017","90","","94.951","0.004","90","","8180.4","0.6","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C44 H28 Eu N2 O12 -","- C44 H28 Eu N2 O12 -","- C352 H224 Eu8 N16 O96 -","8","1","","Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi","Novel double layer lanthanide metal-organic networks for sensing applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","465","474","10.1039/c7dt03604c","","","0.71073","MoKα","","0.1148","0.0659","","","0.1286","0.1671","","","","","","1.062","","","","has coordinates","229562","2020-10-21","18:00:00",""
"1553414","21.71","0.007","8.16","0.0015","24.855","0.008","90","","113.396","0.019","90","","4041","2","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","TPF","2,3,4,5-tetraphenylfuran","","- C28 H20 O -","- C28 H20 O -","- C224 H160 O8 -","8","1","","Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong","Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?","Materials Chemistry Frontiers","2017","1","6","1125","","10.1039/C6QM00343E","","","0.71073","MoKα","","0.0489","0.0378","","","0.1012","0.1095","","","","","","1.052","","","","has coordinates","234966","2020-10-21","18:00:00",""
"1555074","21.8668","0.0005","10.36934","0.00016","18.0539","0.0004","90","","113.947","0.003","90","","3741.25","0.16","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C22 H15 Cl2 F3 -","- C22 H15 Cl2 F3 -","- C176 H120 Cl16 F24 -","8","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","","0.71073","MoKα","","0.0502","0.0428","","","0.102","0.1068","","","","","","1.03","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1556746","34.443","0.003","6.7415","0.0004","10.1978","0.0008","90","","96.889","0.005","90","","2350.8","0.3","100","","100","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H28 S3 Si2 -","- C20 H28 S3 Si2 -","- C80 H112 S12 Si8 -","4","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.1095","0.078","","","0.0608","0.0625","","","","2.84","2.84","2.56","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556953","13.7822","0.0006","10.7752","0.0004","27.0787","0.0013","90","","99.901","0.004","90","","3961.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","","- C24 H16 Cl4 -","- C24 H16 Cl4 -","- C192 H128 Cl32 -","8","1","BT4083","Detert, Heiner; Schollmeyer, Dieter","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","IUCrData","2019","4","2","x190236","","10.1107/S2414314619002360","","","0.71073","MoKα","","0.0481","0.0387","","","0.0953","0.1023","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","274690","2022-04-26","14:34:51",""
"1558107","5.4518","0.0008","4.8784","0.0004","11.825","0.001","90","","101.11","0.01","90","","308.6","0.06","","","293","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","BiSbO4","","","- Bi O4 Sb -","- Bi O4 Sb -","- Bi4 O16 Sb4 -","4","0.5","","Enjalbert, Renee; Sorokina, Svetlana; Castro, Alicia; Galy, Jean","Comparison of Bismuth Stereochemistry in [BiO2]n and [Bi2O2]n Layers. Refinement of BiSbO4","Acta Chemica Scandinavica","1995","49","","813","819","10.3891/acta.chem.scand.49-0813","","x-ray","0.71069","MoKα","","","0.059","","","0.07","","","","","","","","","","","has coordinates","252346","2020-10-21","18:00:00",""
"1561828","20.4029","0.0005","17.331","0.0005","38.6793","0.0015","90","","91.038","0.003","90","","13674.9","0.7","292.82","0.1","292.82","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C24 H17 Br4 Co N4 O5 -","- C24 H17 Br4 Co N4 O5 -","- C384 H272 Br64 Co16 N64 O80 -","16","2","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","0.71","MoKα","","0.1284","0.0742","","","0.2293","0.2709","","","","","","1.044","","","","has coordinates","264205","2021-04-15","09:36:21",""
"1562414","19.992","0.006","12.091","0.0017","30.161","0.006","90","","96.166","0.016","90","","7248","3","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Methyl 4-[[(4-methylphenyl)sulfonyl]amino][2,2'-bithiophene]-5-carboxylate","","- C17 H15 N O4 S3 -","- C17 H15 N O4 S3 -","- C272 H240 N16 O64 S48 -","16","2","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0586","0.0497","","","0.1348","0.1434","","","","","","1.032","","","","has coordinates","270453","2021-11-06","20:10:37",""
"1563855","18.92","0.004","15.464","0.002","19.388","0.003","90","","101.707","0.015","90","","5554.5","1.7","293","","293","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C48 H58 Br Cu2 N10 O14 Tb -","- C48 H58 Br Cu2 N10 O14 Tb -","- C192 H232 Br4 Cu8 N40 O56 Tb4 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0689","0.0514","","","0.0888","0.096","","","","","","1.171","","","","has coordinates,has Fobs","266871","2021-07-01","09:32:58",""
"1564664","17.55","0.004","10.078","0.002","21.29","0.005","90","","98.496","0.016","90","","3724.2","1.4","100","1","100","1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C36 H52 N8 O4 Pu -","- C36 H52 N8 O4 Pu -","- C144 H208 N32 O16 Pu4 -","4","0.5","","Su, Jing; Cheisson, Thibault; McSkimming, Alex; Goodwin, Conrad A. P.; DiMucci, Ida M.; Albrecht-Schönzart, Thomas; Scott, Brian L.; Batista, Enrique R.; Gaunt, Andrew J.; Kozimor, Stosh A.; Yang, Ping; Schelter, Eric J.","Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand","Chemical Science","2021","","","","","10.1039/D1SC03905A","","","0.71073","MoKα","","0.0432","0.0344","","","0.0709","0.0728","","","","","","1.4","","","","has coordinates","269185","2021-09-17","22:09:10",""
"2000318","17.696","0.003","7.175","0.004","17.155","0.001","90","","117.15","0.01","90","","1938.2","1.1","","","","","","","","","","","","7","I 1 2/c 1","","","","","","- C3 H11 Cl2 N2 O P Pt -","- C3 H12 Cl2 N2 O1.5 P Pt -","- C24 H96 Cl16 N16 O12 P8 Pt8 -","8","1","AB0164","Macíček, J.; Angelova, O.; Dodoff, N.","Structure of <i>cis</i>-dichloro[methylphosphinylidenebis(methylamine-<i>N</i>,<i>N</i>')]platinum(II) hemihydrate","Acta Crystallographica Section C","1991","47","5","971","973","10.1107/S0108270190012689","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001214","33.673","0.004","12.275","0.002","23.057","0.003","90","","97.828","0.002","90","","9441","2","298","","","","","","","","","","","6","I 1 2/c 1","-I 2yc","","","","","- C38 H24 Au2 O12 P2 Ru4 -","- C38 H24 Au2 O12 P2 Ru4 -","- C304 H192 Au16 O96 P16 Ru32 -","8","1","AL0555","Adatia, T.","Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~]","Acta Crystallographica Section C","1993","49","11","1926","1929","10.1107/S0108270193006432","","","0.71069","MoKα","","","0.0603","","","0.0605","","","","","1.723","1.723","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002089","28.325","0.006","9.79","0.005","23.042","0.006","90","","105.999","0.006","90","","6142","4","293","","","","","","","","","","","8","I 1 2/c 1","-I 2yc","15","","","","- C55 H61 Cl2 F12 N O2 P6 Ru2 -","- C55 H61 Cl2 F12 N O2 P6 Ru2 -","- C220 H244 Cl8 F48 N4 O8 P24 Ru8 -","4","0.5","HA1003","Blake, A. J.; Fotheringham, J. D.; Stephenson, T. A.","[{(η^6^-C~6~H~6~)(PMe~2~Ph)RuCl}~2~(μ-Ph~2~PCH~2~CH~2~PPh~2~)]^2+^.2PF~6~^{-^}.CH~3~NO~2~","Acta Crystallographica Section C","1993","49","1","142","144","10.1107/S0108270192008163","","","0.71073","MoKα","","","0.0611","","","0.0753","","","","","1.406","1.406","","","","","has coordinates,has disorder","205828","2020-10-21","18:00:00",""
"2006295","15.46","0.007","10.128","0.002","12.68","0.003","90","","101.67","0.02","90","","1944.4","1.1","298","","298","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1,3-dione","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","0.5","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.068","0.048","","0.042","0.042","","","","","4.7","4.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006540","17.977","0.004","11.819","0.007","14.696","0.002","90","","90.775","0.015","90","","3122","2","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H30 Cl2 Co N8 O2 -","- C30 H30 Cl2 Co N8 O2 -","- C120 H120 Cl8 Co4 N32 O8 -","4","0.5","TA1062","Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I.","[6,6'-Bis(benzimidazol-2-yl-<i>N</i>^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2)","Acta Crystallographica Section C","1997","53","9","1238","1240","10.1107/S0108270196015387","","","0.71073","MoKα","","0.149","0.149","","0.048","0.048","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006997","15.476","0.003","6.649","0.001","24.08","0.005","90","","93.42","0.02","90","","2473.4","0.8","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","poly[N-(2-aminoethyl)-N-methyl-1,2-ethanediamine-κ^3^N]-μ-isothiocyanato- N:S-isothiocyanatonickel(II)","","- C7 H15 N5 Ni S2 -","- C7 H15 N5 Ni S2 -","- C56 H120 N40 Ni8 S16 -","8","1","CF1171","Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri","A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine","Acta Crystallographica Section C","1998","54","2","208","210","10.1107/S0108270197013280","","","0.71069","MoKα","","0.0436","0.0406","","0.1108","0.108","","","","1.081","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007871","9.925","0.002","9.472","0.002","10.347","0.002","90","","91.26","0.02","90","","972.5","0.3","130","2","130","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C H4.65 Al0.35 Co0.65 N O4 P -","- C H4.64 Al0.348 Co0.652 N O4 P -","- C8 H37.12 Al2.784 Co5.216 N8 O32 P8 -","8","1","TA1204","Gainsford, Graeme J.; Morgan, Keith R.; Rae, A. David","A Cobalt Aluminophosphate with Encapsulated Ethylenediamine: Co~0.65~Al~0.35~PO~4~.0.5NH~2.65~CH~2~CH~2~NH~2.65~","Acta Crystallographica Section C","1998","54","11","1564","1566","10.1107/S0108270198006842","","","0.71073","MoKα","","","0.054","","","0.064","","","","","1.358","1.358","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013456","12.027","0.013","10.706","0.014","31.76","0.03","90","","102.11","0.08","90","","3998","8","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","3-phenylanthranil","3-Phenyl-2,1-benzoxazole","","- C13 H9 N O -","- C13 H9 N O -","- C208 H144 N16 O16 -","16","2","GD1263","Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole","Acta Crystallographica Section C","2003","59","9","o516","o519","10.1107/S0108270103015713","","","0.71073","MoKα","","0.1526","0.0535","","","0.0909","0.1234","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013865","15.8657","0.0005","7.2366","0.0001","16.4224","0.0005","90","","110.304","0.001","90","","1768.36","0.08","120","2","120","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","2-Methanesulfonyl-4-nitroaniline","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C56 H64 N16 O32 S8 -","8","1","SK1687","Howie, R. Alan; Low, John N.; Wardell, James L.; Glidewell, Christopher","Hydrogen bonding in C-substituted nitroanilines: a chain of <i>R</i>f̱{_3^3}(12) rings in 2-methanesulfonyl-4-nitroaniline","Acta Crystallographica Section C","2004","60","1","o84","o86","10.1107/S0108270103027641","","","0.71073","MoKα","","0.04","0.034","","","0.083","0.086","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014963","5.564","0.002","5.51","0.002","7.802","0.003","90","","90.18","0.03","90","","239.19","0.15","160","","160","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","lanthanum barium manganite perovskite","lanthanum barium manganese trioxide","","- Ba0.185 La0.815 Mn O3 -","- Ba0.185 La0.815 Mn O3 -","- Ba0.74 La3.26 Mn4 O12 -","4","0.5","BC1071","Nicola Rotiroti; Rafael Tamazyan; Sander van Smaalen; Ya. Mukovskii","Monoclinic La~1{-~<i>x</i>}Ba~<i>x~</i>MnO~3~ (<i>x</i> = 0.185) at 160 K","Acta Crystallographica Section C","2005","61","9","i83","i85","10.1107/S0108270105017518","","","0.71069","MoKα","","0.0356","0.027","","","0.0319","0.0327","","","","","","1.68","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2020356","9.0696","","7.8952","","9.6295","","90","","93.26","","90","","688.417","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba (Br O3)2 (H2 O)","","- Ba Br2 H2 O7 -","- Ba Br2 H2 O7 -","- Ba4 Br8 H8 O28 -","4","0.5","","Templeton, L.K.; Templeton, D.H.","Structure of barium bromate monohydrate","Acta Crystallographica C (39,1983-)","1989","45","","672","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2100551","21.1392","","8.4073","","9.2788","","90","","108.708","","90","","1561.93","","140","","140","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","chromium(II) diphosphate","","","- Cr2 O7 P2 -","- Cr2 O7 P2 -","- Cr24 O84 P24 -","12","1.5","SN5033","Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert","The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate","Acta Crystallographica Section B","2006","62","4","556","566","10.1107/S0108768106010238","","","0.71073","MoKα","","2.48","2.05","","","3.96","4.35","","","","","","1.74","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2100756","9.048","0.001","7.987","0.002","9.911","0.001","90","","92.13","0.01","90","","715.7","0.2","","","","","","","","","","","","4","I 1 2/c 1","-I 2yab","","","","","- Ba H2 I2 O7 -","- Ba H2 I2 O7 -","- Ba4 H8 I8 O28 -","4","0.5","AB0254","Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.","Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K","Acta Crystallographica Section B","1992","48","2","166","172","10.1107/S0108768191013538","","neutron","1.27","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100757","9.022","0.005","7.937","0.004","9.867","0.006","90","","92.18","0.05","90","","706","0.7","","","","","","","","","","","","4","I 1 2/c 1","-I 2yab","","","","","- Ba H2 I2 O7 -","- Ba H2 I2 O8 -","- Ba4 H8 I8 O32 -","4","0.5","AB0254","Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.","Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K","Acta Crystallographica Section B","1992","48","2","166","172","10.1107/S0108768191013538","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100758","8.811","0.001","7.744","0.001","9.131","0.001","90","","93.13","0.01","90","","622.1","0.1","","","","","","","","","","","","4","I 1 2/c 1","-I 2yab","","","","","- Cl2 H2 O7 Pb -","- Cl2 H2 O7 Pb -","- Cl8 H8 O28 Pb4 -","4","0.5","AB0254","Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.","Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K","Acta Crystallographica Section B","1992","48","2","166","172","10.1107/S0108768191013538","","neutron","1.238","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100759","8.811","0.001","7.744","0.001","9.131","0.001","90","","93.13","0.01","90","","622.1","0.1","","","","","","","","","","","","4","I 1 2/c 1","-I 2yab","","","","","- Cl2 H2 O7 Pb -","- Cl2 H2 O7 Pb -","- Cl8 H8 O28 Pb4 -","4","0.5","AB0254","Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.","Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K","Acta Crystallographica Section B","1992","48","2","166","172","10.1107/S0108768191013538","","neutron","1.238","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100760","8.755","0.001","7.697","0.001","9.13","0.001","90","","93.45","0.01","90","","614.13","0.13","","","","","","","","","","","","4","I 1 2/c 1","-I 2yab","","","","","- Cl2 H2 O7 Pb -","- Cl2 H2 O7 Pb -","- Cl8 H8 O28 Pb4 -","4","0.5","AB0254","Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I.","Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K","Acta Crystallographica Section B","1992","48","2","166","172","10.1107/S0108768191013538","","neutron","1.215","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100958","15.57","0.008","10.39","0.003","17.383","0.004","90","","99.38","0.02","90","","2774.5","1.8","","","","","","","","","","","","4","I 1 2/c 1","","","","","","- C12 H19 N5 O -","- C12 H19 N5 O -","- C96 H152 N40 O8 -","8","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","1.54018","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100960","23.78","0.004","9.162","0.002","28.144","0.005","90","","111.47","0.01","90","","5706.3","1.9","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C13 H19 N5 O -","- C13 H19 N5 O -","- C208 H304 N80 O16 -","16","2","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208158","2020-10-21","18:00:00",""
"2100980","16.304","0.006","20.321","0.008","15.939","0.006","90","","102.25","0.02","90","","5161","3","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C42 H60 N12 O12 S2 -","- C42 H60 N12 O12 S2 -","- C168 H240 N48 O48 S8 -","4","0.5","AB0298","Caira, M. R.; Mohamed, R.","Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds","Acta Crystallographica Section B","1993","49","4","760","768","10.1107/S0108768193001454","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","209107","2020-10-21","18:00:00",""
"2101357","24.62","0.01","6.091","0.001","7.476","0.002","90","","100.14","0.03","90","","1103.6","0.6","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","","","","","- C13 H8 Cl2 O -","- C13 H8 Cl2 O -","- C52 H32 Cl8 O4 -","4","0.5","HR0007","Zúñiga, F. J.; Criado, A.","Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone","Acta Crystallographica Section B","1995","51","5","880","888","10.1107/S0108768194014321","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103122","22.876","0.005","6.224","0.001","11.793","0.002","90","","95.56","0.03","90","","1671.2","0.5","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","(1R*,2S*)-2-hydroxy-1-cycloheptane carboxylic acid","","- C8 H14 O3 -","- C8 H14 O3 -","- C64 H112 O24 -","8","1","DE0014","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna","Novel predicted patterns of supramolecular self-assembly afforded by tetrameric R~4~^4^(12) rings of C~2~ symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1- cyclohexanecarboxylic acid and 2-hydroxy-1-cycloheptanecarboxylic acid.","Acta Crystallographica, Section B","2002","58","3","494","501","10.1107/S0108768102001854","","","1.5418","CuKα","","0.0405","0.0384","","","0.1445","0.1482","","","","","","1.377","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104874","20.5802","0.0003","8.436","0.0001","9.618","0.0001","90","","106.564","0.0007","90","","1600.53","0.03","240","","240","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Dizinc(II) diarsenate(V)","","- As2 O7 Zn2 -","- As2 O7 Zn2 -","- As24 O84 Zn24 -","12","1.5","SN5100","Weil, Matthias; Stöger, Berthold","Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure","Acta Crystallographica Section B","2010","66","6","603","614","10.1107/S0108768110040802","","","0.71073","MoKα","","0.0391","0.0234","","","0.0295","0.0322","","","","","","1.23","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105590","24.527","0.006","6.064","0.001","7.457","0.004","90","","100.1","0.02","90","","1091.9","0.7","164","2","164","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","4,4'-dichlorobenzophenone","4,4'-dichlorobenzophenone","","- C13 H8 Cl2 O -","- C13 H8 Cl2 O -","- C52 H32 Cl8 O4 -","4","0.5","HR0042","Mitkevich, V. V.; Lirtsman, V. G.; Strzhemechny, M. A.; Avdeenko, A. A.; Eremenko, V. V.","Investigation of the structural phase transitions near 190K in 4,4'-dichlorobenzophenone","Acta Crystallographica Section B","1999","55","5","799","806","10.1107/S0108768199005480","","","0.71073","MoKα","","0.0521","0.0399","","0.1449","0.1101","","","","1.194","1.185","1.185","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106268","8.481","","13.142","","14.444","","90","","115.48","","90","","1453.3","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Sr Ga2 Si2 O8","","- Ga2 O8 Si2 Sr -","- Ga2 O8 Si2 Sr -","- Ga16 O64 Si16 Sr8 -","8","1","","Calleri, M.; Gazzoni, G.","Structures of (Sr, Ba) ((Al, Ga)2 (Si, Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8","Acta Crystallographica B (24,1968-38,1982)","1975","31","","560","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106269","8.727","","13.24","","14.608","","90","","115","","90","","1529.75","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba Ga2 Si2 O8","","- Ba Ga2 O8 Si2 -","- Ba Ga2 O8 Si2 -","- Ba8 Ga16 O64 Si16 -","8","1","","Calleri, M.; Gazzoni, G.","Structures of (Sr,Ba)((Al,Ga)2 (Si,Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8","Acta Crystallographica B (24,1968-38,1982)","1975","31","","560","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106270","8.799","","13.371","","14.727","","90","","114.93","","90","","1571.21","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- Al2 Ba Ge2 O8 -","- Al2 Ba Ge2 O8 -","- Al16 Ba8 Ge16 O64 -","8","1","","Calleri, M.; Gazzoni, G.","The structures of (Sr, Ba) (Al, Ga)2 (Si, Ge)2 O8. V. The crystal structure of the synthetic feldspar Ba Al2 Ge2 O8","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3275","3282","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106363","9.844","","7.008","","13.25","","90","","90.1","","90","","914.073","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Li Nd (P4 O12)","","- Li Nd O12 P4 -","- Li Nd O12 P4 -","- Li4 Nd4 O48 P16 -","4","0.5","","Koizumi, H.","An efficient laser material, lithium neodymium phosphate Li Nd P4 O12","Acta Crystallographica B (24,1968-38,1982)","1976","32","","266","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106371","8.7262","","13.2117","","14.6001","","90","","115.059","","90","","1524.78","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba Ga2 Si2 O8","","- Ba Ga2 O8 Si2 -","- Ba Ga2 O8 Si2 -","- Ba8 Ga16 O64 Si16 -","8","1","","Kroll, H.; Phillips, M.W.; Pentinghaus, H.","The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8","Acta Crystallographica B (24,1968-38,1982)","1978","34","","359","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106372","8.8931","","13.5248","","14.9076","","90","","114.803","","90","","1627.65","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- Ba Ga2 Ge2 O8 -","- Ba Ga2 Ge2 O8 -","- Ba8 Ga16 Ge16 O64 -","8","1","","Kroll, H.; Pentinghaus, H.; Phillips, M.W.","The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8","Acta Crystallographica B (24,1968-38,1982)","1978","34","","359","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106751","25.5873","","6.7771","","13.9694","","90","","92.08","","90","","2420.8","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","K3 (O N (S O3)3) (H2 O)1.5","","- H3 K3 N O11.5 S3 -","- H3 K3 N O11.5 S3 -","- H24 K24 N8 O92 S24 -","8","1","","Brown, G.M.; Strydom, O.A.W.","Tripotassium hydroxylaminetrisulfonate sesquihydrate, neutron data","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1591","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107398","13.6235","","5.8322","","10.7053","","90","","91.26","","90","","850.384","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Cs Na2 Cl3 (H2 O)2","","- Cl3 Cs H4 Na2 O2 -","- Cl3 Cs H4 Na2 O2 -","- Cl12 Cs4 H16 Na8 O8 -","4","0.5","","Evans, H.T.jr.; Konnert, J.A.; Chou, I.M.; Romankiw, L.A.","A Crystal Chemical Study of the System Cs Cl - Na Cl - H2 O; Structures of the Cs Cl Derivative Compounds Cs1-x (Na H2 O)x Cl, Cs Na2 Cl3 (H2 O)2, and Cs2 Ca Cl4 (H2 O)2","Acta Crystallographica B (39,1983-)","1984","40","","86","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2201348","12.2304","0.0002","16.4299","0.0002","17.8325","0.0002","90","","93.999","0.001","90","","3574.61","0.08","183","2","183","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-methoxyphenyl)- 2-methyl-1,3-propanedione","","- C20 H22 O6 -","- C20 H22 O6 -","- C160 H176 O48 -","8","1","CF6205","Stomberg, Rolf; Langer, Vratislav; Hauteville, Marcelle","1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1,3-propanedione","Acta Crystallographica Section E","2002","58","10","o1116","o1118","10.1107/S1600536802016136","","","0.71073","MoKα","","0.0799","0.049","","","0.1229","0.144","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2217755","18.266","0.002","7.36","0.001","14.821","0.001","90","","92.855","0.007","90","","1990","0.4","298","2","298","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","5'-Chlorospiro[1,3-dioxolane-2,3'-indolin]-2'-one","","- C10 H8 Cl N O3 -","- C10 H8 Cl N O3 -","- C80 H64 Cl8 N8 O24 -","8","1","ER2049","De, Amitabha","5'-Chlorospiro[1,3-dioxolane-2,3'-indolin]-2'-one: a potential anticonvulsant","Acta Crystallographica Section E","2008","64","3","o562","","10.1107/S160053680800336X","","","0.71073","MoKα","","0.0734","0.0494","","","0.1501","0.1892","","","0.832","","","0.802","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2243858","15.2354","0.0008","8.3683","0.0003","12.8372","0.0006","90","","99.205","0.005","90","","1615.59","0.13","120","2","120","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","bis(2-methylpyridinium) tetrachlorocuprate(II)","Bis(2-methylpyridinium) tetrachloridocuprate(II)","","- C12 H16 Cl4 Cu N2 -","- C12 H16 Cl4 Cu N2 -","- C48 H64 Cl16 Cu4 N8 -","4","0.5","DJ2020","Mehmood, Tahir; Bhosale, Rajesh S.; Reddy, J. Prakasha","Bis(2-methylpyridinium) tetrachloridocuprate(II): synthesis, structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2021","77","7","726","729","10.1107/S2056989021006277","","","0.71073","MoKα","","0.0492","0.0355","","","0.0742","0.0809","","","","","","1.078","","","","has coordinates,has Fobs","266718","2021-06-26","05:54:38",""
"2243936","12.9641","0.0008","16.8966","0.0007","13.1085","0.0008","90","","101.198","0.005","90","","2816.7","0.3","153","2","153","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(8<i>E</i>,22<i>E</i>)-4,4,12,18,18,26-Hexamethyl-3,5,17,19-tetraoxa-8,13,22,27-tetraaza-4,18-disilatricyclo[22.4.0.0^10,15^]octacosa-1(24),8,10,12,14,22,25,27-octaene-11,25-diol","","- C24 H36 N4 O6 Si2 -","- C24 H36 N4 O6 Si2 -","- C96 H144 N16 O24 Si8 -","4","0.5","","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010185","","","0.71073","MoKα","","0.0393","0.0319","","","0.0766","0.0816","","","","","","1.075","","","","has coordinates,has Fobs","269939","2021-10-14","02:29:39",""
"2300259","5.68021","0.00013","15.2139","0.0004","6.53032","0.00015","90","","118.484","0.0012","90","","496.03","0.02","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- Ca H4 O6 S -","- Ca H4 O6 S -","- Ca4 H16 O24 S4 -","4","0.5","","Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.","Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum","Journal of Applied Crystallography","2009","42","6","1176","1188","10.1107/S0021889809043210","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310552","17.93","","6.96","","14.85","","90","","118.52","","90","","1628.29","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Na4 (P2 O7) (H2 O)10","","- H20 Na4 O17 P2 -","- Na4 O17 P2 -","- Na16 O68 P8 -","4","0.5","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N.","Acta Crystallographica (1,1948-23,1967)","1964","17","","672","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310787","20.1131","0.0013","8.2769","0.0006","9.109","0.003","90","","106.338","0.016","90","","1455.2","0.5","350","","350","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O84 P24 Zn24 -","12","1.5","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0198","0.0159","","","0.0222","0.0229","","","","1.53","1.53","1.47","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310875","8.86","","7.8","","9.35","","90","","93.5","","90","","644.955","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ba (Cl O3)2 (H2 O)","","- Ba Cl2 H2 O7 -","- Ba Cl2 H2 O7 -","- Ba4 Cl8 H8 O28 -","4","0.5","","Kartha, G.","Structure of barium chlorate monohydrate, Ba (Cl O3)2 H2 O","Acta Crystallographica (1,1948-23,1967)","1952","5","","845","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310920","8.627","","13.045","","14.408","","90","","115.22","","90","","1466.9","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(Ba0.8 K0.2) ((Al1.77 Si2.23) O8)","","- Al1.77 Ba0.8 K0.2 O8 Si2.23 -","- Al1.77 Ba0.8 K0.2 O8 Si2.23 -","- Al14.16 Ba6.4 K1.6 O64 Si17.84 -","8","1","","Newnham, R.E.; Megaw, H.D.","The crystal structure of celsian (barium felspar)","Acta Crystallographica (1,1948-23,1967)","1960","13","","303","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"3000009","16.0725","0.0009","7.7301","0.0003","14.6189","0.0009","90","","96.8695","0.001","90","","1803.24","0.17","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","3,4-diaminopyridin-1-ium dihydrogen phosphate","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Armel Le Bail; Lubomir Smrcok","Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate","Powder Diffraction","2011","26","","321","","10.1154/1.3660160","powder diffraction","","1.5418","CuKα","","","","","","","","","2.6801","","","","","","","","has coordinates","201981","2020-10-21","18:00:00",""
"4034204","22.3941","0.0015","13.4906","0.0004","22.8107","0.0015","90","","113.221","0.005","90","","6333.1","0.7","150","2","150","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C40 H0 F5 N2 O P S -","- C40 H18 F5 N2 O P S -","- C320 H144 F40 N16 O8 P8 S8 -","8","1","","Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli","Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex.","The Journal of organic chemistry","2019","84","14","9067","9074","10.1021/acs.joc.9b01015","","","1.54178","CuKα","","0.1396","0.0862","","","0.2272","0.2817","","","","","","1.022","","","","has coordinates,has disorder","222747","2020-10-21","18:00:00",""
"4035638","14.466","0.002","7.833","0.0015","20.727","0.004","90","","98.549","0.015","90","","2322.5","0.7","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Castillo, Juan-Carlos; Tigreros, Alexis; Portilla, Jaime","3-Formylpyrazolo[1,5- a]pyrimidines as Key Intermediates for the Preparation of Functional Fluorophores.","The Journal of organic chemistry","2018","83","18","10887","10897","10.1021/acs.joc.8b01571","","","0.71073","MoKα","","0.0792","0.0603","","","0.1616","0.1816","","","","","","1.037","","","","has coordinates","227087","2020-10-21","18:00:00",""
"4038224","12.5491","0.0015","8.3129","0.0009","26.875","0.004","90","","102.001","0.012","90","","2742.3","0.6","298.15","","298.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H13 Br2 N O4 -","- C12 H13 Br2 N O4 -","- C96 H104 Br16 N8 O32 -","8","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.0842","0.0638","","","0.1576","0.1779","","","","","","1.034","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038260","7.8057","0.0001","9.6433","0.0002","26.0047","0.0005","90","","91.031","0.002","90","","1957.13","0.06","100","0.11","100","0.11","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","0.5","","Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement.","The Journal of organic chemistry","2020","85","9","6109","6122","10.1021/acs.joc.0c00611","","x-ray","1.54184","CuKα","","0.0491","0.0481","","","0.131","0.1313","","","","","","1.127","","","","has coordinates","251481","2020-10-21","18:00:00",""
"4082050","16.6444","0.0003","9.93793","0.00018","21.1486","0.0004","90","","93.1009","0.0017","90","","3493.09","0.11","200","0.1","200","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C30 H44 Cl2 N4 O10 -","- C30 H32 Cl2 N4 O10 -","- C120 H128 Cl8 N16 O40 -","4","0.5","","Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo","Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes","Organometallics","2013","32","21","6613","","10.1021/om400950d","","","1.5418","CuKα","","0.0603","0.0543","","","0.1731","0.1868","","","","","","1.054","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4085227","21.13","0.009","13.37","0.005","21.589","0.009","90","","110.524","0.007","90","","5712","4","100","2","100","1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C29 H27 Cl3 F2 Ir N5 -","- C29 H27 Cl3 F2 Ir N5 -","- C232 H216 Cl24 F16 Ir8 N40 -","8","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0395","0.0254","","","0.0519","0.0573","","","","","","1.05","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4087158","15.508","0.0003","9.75868","0.00012","15.9993","0.0003","90","","117.934","0.003","90","","2139.19","0.09","150","","150","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C14 H36 Fe O P2 Si2 -","- C14 H36 Fe O P2 Si2 -","- C56 H144 Fe4 O4 P8 Si8 -","4","0.5","","Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity","Organometallics","2017","36","3","605","","10.1021/acs.organomet.6b00803","","x-ray","0.71073","MoKα","","0.0332","0.0286","","0.0574","0.0546","0.0571","","","","","","1.1663","","","","has coordinates","193346","2020-10-21","18:00:00",""
"4119058","28.679","0.0004","15.9767","0.0003","22.2674","0.0005","90","","91.8471","0.0015","90","","10197.5","0.3","281","4","281","4","","","","","","","","8","I 1 2/c 1","-I 2yc","15","","","","- C55 H48 F3 N O4 P2 Pd S -","- C55 H48 F3 N O4 P2 Pd S -","- C440 H384 F24 N8 O32 P16 Pd8 S8 -","8","1","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.0416","0.037","","","0.1039","0.1092","","","","","","1.076","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4125239","13.35","0.0003","10.0002","0.0002","27.9606","0.0007","90","","98.304","0.002","90","","3693.68","0.15","293.15","","293.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 F6 N4 -","- C20 H12 F6 N4 -","- C160 H96 F48 N32 -","8","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0919","0.0837","","","0.2462","0.2585","","","","","","1.086","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4129108","20.739","0.0012","12.7534","0.0008","32.675","0.004","90","","96.259","0.008","90","","8590.8","1.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C50 H47 N5 -","- C50 H47 N5 -","- C400 H376 N40 -","8","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0907","0.0631","","","0.1613","0.1772","","","","","","1.009","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129269","21.0545","0.0007","10.0187","0.0003","26.9455","0.0009","90","","107.922","0.004","90","","5408","0.3","183","2","183","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl)[bis(cyano-κ<i>C</i>)]tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]diiron","","- C46 H96 Fe2 N2 P8 -","- C46 H96 Fe2 N2 P8 -","- C184 H384 Fe8 N8 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0641","0.0556","","","0.1516","0.1596","","","","","","1.037","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4341979","21.7672","0.0005","19.633","0.0005","29.4028","0.0006","90","","99.478","0.002","90","","12393.9","0.5","128.6","0.14","128.6","0.14","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C38.25 H42.25 N7.75 O16.75 Zn3 -","- C38.25 H42.25 N7.75 O16.75 Zn3 -","- C306 H338 N62 O134 Zn24 -","8","1","","Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng","Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.","Inorganic chemistry","2015","54","2","586","595","10.1021/ic502488c","","","0.71073","MoKα","","0.0527","0.0458","","","0.1298","0.1349","","","","","","1.084","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4342903","14.3566","0.0007","10.5736","0.0006","35.4072","0.0017","90","","92.06","0.004","90","","5371.4","0.5","173","2","173","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C26 H26 F3 N2 O3.5 S Te -","- C26 H26 F3 N2 O3.5 S Te -","- C208 H208 F24 N16 O28 S8 Te8 -","8","1","","Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.","Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf.","Inorganic chemistry","2015","54","10","4934","4939","10.1021/acs.inorgchem.5b00537","","","0.71073","MoKα","","0.0428","0.0338","","","0.0848","0.0924","","","","","","1.046","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4347558","13.329","0.004","6.542","0.005","17.975","0.006","90","","94.41","0.04","90","","1562.7","1.4","170","2","170","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 F10 N2 O2 -","- C12 H10 F10 N2 O2 -","- C48 H40 F40 N8 O8 -","4","0.5","","Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.","Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.","Inorganic chemistry","2016","55","11","5422","5429","10.1021/acs.inorgchem.6b00348","","","0.71073","MoKα","","0.044","0.0349","","","0.0878","0.0946","","","","","","1.066","","","","has coordinates","232381","2020-10-21","18:00:00",""
"4505344","16.0707","0.0015","9.014","0.001","16.252","0.002","90","","90.127","0.008","90","","2354.3","0.4","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C22 H16 Cl2 Hg Mn N6 -","- C22 H16 Cl2 Hg Mn N6 -","- C88 H64 Cl8 Hg4 Mn4 N24 -","4","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0197","","","","0.0252","","","","","","1.0768","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4510511","23.7103","0.0011","4.45641","0.00017","25.3321","0.0007","90","","95.947","0.003","90","","2662.26","0.18","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C11 H12 Br N3 S2 -","- C11 H12 Br N3 S2 -","- C88 H96 Br8 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.054","0.0358","","","0.0733","0.0832","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4512563","9.9695","0.0007","5.0739","0.0003","7.1817","0.0005","90","","109.863","0.0006","90","","341.67","0.04","300","","300","","","","","","","","","2","I 1 2/c 1","-I 2yc","15","","","","- O5 Ti3 -","- O5 Ti3 -","- O20 Ti12 -","4","0.5","","Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi","Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway","Crystal Growth & Design","2015","15","2","653","","10.1021/cg5013439","powder diffraction","","1.54059","CuKα~1~","","0.01547","","","","","","0.01545","0.03527","1.4279","","","","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4514233","15.7631","0.0003","9.2957","0.0002","35.3175","0.0008","90","","95.742","0.002","90","","5149.07","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H32 Fe N P S -","- C30 H32 Fe N P S -","- C240 H256 Fe8 N8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0745","0.0763","","","","","","1.054","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514719","18.9763","0.0008","13.5616","0.0003","24.1428","0.0006","90","","95.348","0.002","90","","6186.1","0.3","98","2","98","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C18 H10 Cl2 N2 S -","- C18 H10 Cl2 N2 S -","- C288 H160 Cl32 N32 S16 -","16","2","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0433","0.0422","","","0.1193","0.1203","","","","","","1.079","","","","has coordinates","219884","2020-10-21","18:00:00",""
"4516079","13.8204","0.0017","7.1084","0.0007","24.264","0.004","90","","105.34","0.014","90","","2298.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C80 H104 Cl8 N32 O8 -","8","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0578","0.0472","","","0.121","0.1304","","","","","","1.06","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516850","16.8731","0.0005","13.9085","0.0004","21.1754","0.0006","90","","93.668","0.003","90","","4959.3","0.2","100","2","100","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C56 H52 B2 Cu F8 N4 O4 -","- C56 H52 B2 Cu F8 N4 O4 -","- C224 H208 B8 Cu4 F32 N16 O16 -","4","0.5","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0336","0.0297","","","0.1127","0.1175","","","","","","1.021","","","","has coordinates","239589","2020-10-21","18:00:00",""
"4516851","12.1035","0.0006","7.5373","0.0003","24.9505","0.0014","90","","102.083","0.005","90","","2225.75","0.19","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.063","0.0425","","","0.1022","0.1117","","","","","","1.044","","","","has coordinates","239590","2020-10-21","18:00:00",""
"4517381","24.7458","","5.635","","7.0259","","90","","90.501","","90","","979.672","","293","","293","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","a aluminum based metal organic framework","1np","","- C24 Al2 N4 O12 -","- C24 Al2 N4 O12 -","- C48 Al4 N8 O24 -","2","0.25","","Liang, Jie; Li, Xiaohang; Xi, Rubing; Shan, Guangcun; Li, Pei-Zhou; Liu, Jia; Zhao, Yanli; Zou, Ruqiang","A Robust Aluminum Metal-Organic Framework with Temperature-Induced Breathing Effect","ACS Materials Letters","2020","","","220","","10.1021/acsmaterialslett.9b00399","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.24","3.862","","","","","","","has coordinates","247473","2020-10-21","18:00:00",""
"4517631","18.18","0.002","11.85","0.001","24.082","0.003","90","","109.299","0.008","90","","4896.5","0.9","100","2","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C24 H22 Cu I N3 O3 -","- C24 H22 Cu I N3 O3 -","- C192 H176 Cu8 I8 N24 O24 -","8","1","","Khatua, Sajal; Biswas, Protap","Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02891","","","0.71073","MoKα","","0.1494","0.1348","","","0.2927","0.3017","","","","","","1.168","","","","has coordinates","251401","2020-10-21","18:00:00",""
"4517745","9.6089","0.0003","10.2089","0.0003","32.7406","0.001","90","","95.922","0.003","90","","3194.59","0.17","293","2","293","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0608","0.0459","","","0.1099","0.1217","","","","","","1.031","","","","has coordinates","252997","2020-10-21","18:00:00",""
"4518230","18.3661","0.0016","16.0719","0.0014","27.117","0.003","90","","108.602","0.01","90","","7586.2","1.3","298","2","298","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","0.5","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0524","0.0387","","","0.0935","0.1047","","","","","","1.028","","","","has coordinates,has disorder","259507","2020-12-04","02:13:57",""
"5000039","5.67","0.002","15.201","0.002","6.533","0.002","90","","118.6","0.07","90","","494.4","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Calcium sulfate dihydrate","Gypsum","- Ca H4 O6 S -","- Ca H4 O6 S -","- Ca4 H16 O24 S4 -","4","0.5","","Cole, W. F.; Lancucki, C. J.","A refinement of the crystal structure of gypsum CaSO~4~.2H~2~O","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1974","30","4","921","929","10.1107/S0567740874004055","","","","","","0.011","","","","","","","","","","","","","","","has coordinates","199780","2020-10-21","18:00:00",""
"5000185","8.386","","6.196","","25.203","","90","","116.2","","90","","1175","","","","","","","","","","","","","2","I 1 2/c 1","-I 2yc","15","","","","- C18 H12 -","- C36 H24 -","- C144 H96 -","4","0.5","","Burns, D. M.; Iball, J.","Refinement of the Structure of Chrysene","Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences","1960","257","1291","491","514","10.1098/rspa.1960.0168","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7027363","9.354","0.012","29.4","0.03","9.836","0.012","90","","112.516","0.01","90","","2499","5","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C13 H20 N11 O12 Tb -","- C13 H14 N11 O12 Tb -","- C52 H56 N44 O48 Tb4 -","4","0.5","","Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.","Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides","Journal of the Chemical Society, Dalton Transactions","1999","","15","2433","","10.1039/a901842e","","","0.71073","MoKα","","0.0497","0.0479","","","0.1447","0.1461","","","","","","1.089","","","","has coordinates,has disorder","179979","2020-10-21","18:00:00",""
"7027364","9.353","0.012","29.59","0.03","9.889","0.012","90","","112.946","0.01","90","","2520","5","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C13 H20 N11 O12 Sm -","- C13 H14 N11 O12 Sm -","- C52 H56 N44 O48 Sm4 -","4","0.5","","Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.","Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides","Journal of the Chemical Society, Dalton Transactions","1999","","15","2433","","10.1039/a901842e","","","0.71073","MoKα","","0.0807","0.0669","","","0.1924","0.1993","","","","","","1.187","","","","has coordinates,has disorder","179979","2020-10-21","18:00:00",""
"7027365","9.326","0.009","29.71","0.03","9.895","0.011","90","","113.03","0.01","90","","2523","5","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C13 H20 N11 Nd O12 -","- C13 H14 N11 Nd O12 -","- C52 H56 N44 Nd4 O48 -","4","0.5","","Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.","Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides","Journal of the Chemical Society, Dalton Transactions","1999","","15","2433","","10.1039/a901842e","","","0.71073","MoKα","","0.0626","0.0574","","","0.1622","0.165","","","","","","1.093","","","","has coordinates,has disorder","179979","2020-10-21","18:00:00",""
"7034932","16.7671","0.0005","18.6175","0.0005","28.0023","0.001","90","","102.197","0.003","90","","8543.9","0.5","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C48 H42 N8 O10 -","- C48 H40 N8 O10 -","- C384 H320 N64 O80 -","8","1","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.1103","0.0711","","","0.2733","0.315","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7039380","19.393","0.001","13.171","0.001","22.966","0.001","90","","95.69","0.01","90","","5837.2","0.6","200","","200","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C44 H71 N10 Ni2 O14 Pr S4 -","- C44 H71 N10 Ni2 O14 Pr S4 -","- C176 H284 N40 Ni8 O56 Pr4 S16 -","4","0.5","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.0635","0.0342","","","0.06","0.0652","","","","","","0.854","","","","has coordinates,has disorder","185338","2020-10-21","18:00:00",""
"7041586","13.5161","0.0005","10.4367","0.0005","28.1083","0.0014","90","","92.378","0.005","90","","3961.6","0.3","173","2","173","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C18 H20 Cl Cu N4 S2 -","- C18 H20 Cl Cu N4 S2 -","- C144 H160 Cl8 Cu8 N32 S16 -","8","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.","Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1324","1339","10.1039/c6dt04103e","","x-ray","0.71073","MoKα","","0.0759","0.0429","","","0.0977","0.1181","","","","","","1.046","","","","has coordinates","191616","2020-10-21","18:00:00",""
"7041667","21.884","0.006","17.122","0.004","23.362","0.006","90","","103.18","0.03","90","","8523","4","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C47 H41 Cl2 Co N6 O4 -","- C47 H41 Cl2 Co N6 O4 -","- C376 H328 Cl16 Co8 N48 O32 -","8","1","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.1632","0.0683","","","0.1486","0.1918","","","","","","0.974","","","","has coordinates","193814","2020-10-21","18:00:00",""
"7042561","12.6353","0.0003","22.9872","0.0005","19.9472","0.0004","90","","103.266","0.002","90","","5639.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C77 H62 Y2 -","- C56 H38 Y2 -","- C224 H152 Y8 -","4","0.5","","Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5326","5336","10.1039/c7dt00554g","","x-ray","1.54184","CuKα","","0.0393","0.0334","","","0.0909","0.0936","","","","","","1.032","","","","has coordinates","196417","2020-10-21","18:00:00",""
"7046324","23.1811","0.0005","11.0911","0.0003","43.6034","0.0012","90","","92.608","0.002","90","","11199","0.5","150","","150","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C57 H60 B F15 N4 -","- C57 H60 B F15 N4 -","- C456 H480 B8 F120 N32 -","8","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0713","0.0591","","0.1651","0.1537","0.1649","","","","","","0.9763","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7047522","18.5144","0.0018","13.2579","0.0013","18.8316","0.0018","90","","105.277","0.009","90","","4459.1","0.8","100","2","100","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C33 H47 N5 O18 Zn -","- C33 H23 N5 O6 Zn -","- C132 H92 N20 O24 Zn4 -","4","0.5","","Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev","Polymerization led selective detection and removal of Zn<sup>2+</sup> and Cd<sup>2+</sup> ions: isolation of Zn- and Cd-MOFs and reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14686","14695","10.1039/c8dt01956h","","","0.71073","MoKα","","0.1808","0.1077","","","0.282","0.3225","","","","","","1.041","","","","has coordinates","229354","2020-10-21","18:00:00",""
"7048299","5.41306","0.00011","11.64322","0.00017","5.29631","0.00012","90","","91.5403","0.0013","90","","333.682","0.011","293","","293","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","LaNb0.88W0.12O4","","- La Nb0.88 O4 W0.12 -","- La0.994 Nb0.88 O4 W0.12 -","- La3.976 Nb3.52 O16 W0.48 -","4","0.5","","Li, Cheng; Pramana, Stevin S.; Skinner, Stephen J.","Room temperature structure and transport properties of the incommensurate modulated LaNb<sub>0.88</sub>W<sub>0.12</sub>O<sub>4.06</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1633","1646","10.1039/c8dt03958e","powder diffraction","x-ray","0.3308","","","0.0878","0.0794","","0.0895","0.0887","","","","2.74","","","","","","","has coordinates","224002","2020-10-21","18:00:00",""
"7049206","18.5883","0.0008","11.8497","0.0003","26.2885","0.0009","90","","104.291","0.004","90","","5611.3","0.4","293","2","293.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C74 H54 N4 O2 Pt2 -","- C74 H54 N4 O2 Pt2 -","- C296 H216 N16 O8 Pt8 -","4","0.5","","Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4420","4428","10.1039/c8dt03615b","","x-ray","0.71073","MoKα","","0.0614","0.0371","","","0.0746","0.0864","","","","","","1.051","","","","has coordinates","224268","2020-10-21","18:00:00",""
"7055159","19.8323","0.0003","10.8754","0.0002","37.256","0.0007","90","","101.47","0.0017","90","","7875","0.2","120","","120","","","","101","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C42 H43 N O6 S4 -","- C42 H43 N O6 S4 -","- C336 H344 N8 O48 S32 -","8","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.084","0.077","","0.1058","0.1037","0.1057","","","","","","0.9685","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055585","7.7028","0.0003","5.3856","0.0002","35.9661","0.0015","90","","95.458","0.004","90","","1485.26","0.1","200","0.1","200","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 O4 Pb -","- C20 H12 O4 Pb -","- C80 H48 O16 Pb4 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71073","MoKα","","0.0287","0.0268","","","0.0539","0.0555","","","","","","1.078","","","","has coordinates","185606","2020-10-21","18:00:00",""
"7055586","16.734","0.0006","8.002","0.0002","34.8764","0.0009","90","","101.383","0.003","90","","4578.3","0.2","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H23 N O5 Pb -","- C25 H23 N O5 Pb -","- C200 H184 N8 O40 Pb8 -","8","1","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71","MoKα","","0.0451","0.0315","","","0.0568","0.0622","","","","","","1.048","","","","has coordinates,has disorder","185606","2020-10-21","18:00:00",""
"7055613","13.4747","0.0014","9.6657","0.001","13.4889","0.0014","90","","105.678","0.008","90","","1691.5","0.3","296","2","296","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0446","0.0375","","","0.1242","0.1328","","","","","","1.017","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7057426","20.2808","0.0013","5.2993","0.0004","24.3454","0.0014","90","","98.356","0.006","90","","2588.7","0.3","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","1","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","","0.71073","MoKα","","0.0728","0.0514","","","0.111","0.1245","","","","","","1.021","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7059121","11.9805","0.0019","9.1305","0.0009","12.6134","0.0013","90","","116.631","0.009","90","","1233.4","0.3","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C10 H8 N6 O4 Sn -","- C10 H8 N6 O4 Sn -","- C40 H32 N24 O16 Sn4 -","4","0.5","","Karmakar, Anirban; Hazra, Susanta; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Packing polymorphism in 3-amino-2-pyrazinecarboxylate based tin(ii) complexes and their catalytic activity towards cyanosilylation of aldehydes","New Journal of Chemistry","2018","42","21","17513","","10.1039/C8NJ03805H","","","0.71073","MoKα","","0.0298","0.0253","","","0.0594","0.0613","","","","","","1.13","","","","has coordinates","236872","2020-10-21","18:00:00",""
"7059994","15.0379","0.0009","13.8407","0.0007","26.5035","0.001","90","","101.131","0.005","90","","5412.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 Co1.5 N5 O8 -","- C25 H20 Co1.5 N5 O8 -","- C200 H160 Co12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.0748","0.0603","","","0.1634","0.1749","","","","","","1.031","","","","has coordinates","258897","2020-11-06","12:43:25",""
"7059996","15.2474","0.0011","13.5792","0.0011","26.1965","0.0013","90","","100.068","0.006","90","","5340.4","0.6","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 N5 Ni1.5 O8 -","- C25 H20 N5 Ni1.5 O8 -","- C200 H160 N40 Ni12 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.1185","0.0738","","","0.2041","0.2479","","","","","","1.025","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7059997","15.006","0.0011","14.1267","0.0008","26.9845","0.0015","90","","102.14","0.006","90","","5592.4","0.6","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H20 Mn1.5 N5 O8 -","- C25 H20 Mn1.5 N5 O8 -","- C200 H160 Mn12 N40 O64 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.1382","0.0905","","","0.2521","0.3165","","","","","","1.189","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7060088","19.4525","0.0011","6.6516","0.0003","35.989","0.002","90","","98.923","0.003","90","","4600.3","0.4","296","2","296","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C54 H46 F2 Li2 N4 O7 -","- C54 H46 F2 Li2 N4 O7 -","- C216 H184 F8 Li8 N16 O28 -","4","0.5","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71076","MoKα","","0.0694","0.05","","","0.1323","0.1512","","","","","","1.037","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7061068","28.162","0.009","22.226","0.007","28.39","0.008","90","","90.21","0.03","90","","17770","9","273.15","","273.15","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C114 H108 Al Cl4 N64 O53 -","- C114 H108 Al Cl4 N64 O53 -","- C456 H432 Al4 Cl16 N256 O212 -","4","0.5","","Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun","Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe","New Journal of Chemistry","2022","46","1","97","102","10.1039/D1NJ04782E","","x-ray","0.71073","MoKα","","0.1835","0.1225","","","0.381","0.4208","","","","","","1.421","","","","has coordinates","272711","2022-02-04","19:53:00",""
"7061464","25.36","0.003","7.5833","0.0005","33.138","0.003","90","","110.162","0.011","90","","5982.3","1.1","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C19 H12 Cl N S -","- C19 H12 Cl N S -","- C304 H192 Cl16 N16 S16 -","16","2","","Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan","Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions","New Journal of Chemistry","2022","46","21","10256","10263","10.1039/D2NJ01151D","","x-ray","0.71073","MoKα","","0.3443","0.08","","","0.0909","0.1791","","","","","","0.954","","","","has coordinates","275814","2022-06-06","01:58:36",""
"7108501","19.1198","0.0006","11.603","0.0004","19.1943","0.0005","90","","102.023","0.002","90","","4164.8","0.2","100","2","100","2","","","","","","","synthesis as described","4","I 1 2/c 1","-I 2yc","15","","","","- C44 H46 O10 S4 -","- C44 H46 O10 S4 -","- C176 H184 O40 S16 -","4","0.5","","Louis J. Farrugia; James H. Gall; David D. MacNicol","1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests","Chem.Commun.","2012","48","","10600","","10.1039/c2cc35647c","","x-ray","0.71073","MoKα","","0.057","0.0396","","","0.0975","0.1039","","","","","","1.027","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7111938","23.4956","0.0005","11.8708","0.0003","31.4169","0.001","90","","98.953","0.003","90","","8655.8","0.4","175","","175","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C80 H68 F12 N20 O12 Pb2 S4 -","- C80 H68 F12 N20 O12 Pb2 S4 -","- C320 H272 F48 N80 O48 Pb8 S16 -","4","0.5","","Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu","Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection","Chem.Commun.","2014","50","","2621","","10.1039/c3cc49673b","","","0.71073","MoKα","","0.0487","0.0331","","0.0512","0.0394","0.0394","","","","","","0.9956","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7118242","26.9793","0.0006","21.3293","0.0004","26.4721","0.0005","90","","97.001","0.002","90","","15119.8","0.5","100","2","100","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C40 H24 In N2 O8 -","- C40 H24 In N2 O8 -","- C320 H192 In8 N16 O64 -","8","1","","Li, Xingjun; Chen, Xueyuan; Jiang, Feilong; Chen, Lian; Lu, Shan; Chen, Qihui; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","The dynamic response of a flexible indium based metal-organic framework to gas sorption.","Chemical communications (Cambridge, England)","2016","52","11","2277","2280","10.1039/c5cc09461e","","","1.54184","CuKα","","0.0693","0.0587","","","0.1696","0.1792","","","","","","1.071","","","","has coordinates","175879","2020-10-21","18:00:00",""
"7123295","21.061","0.002","6.7995","0.0007","26.557","0.003","90","","94.682","0.012","90","","3790.4","0.7","100","2","100","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C15 H26 Br2 N2 O4 -","- C15 H26 Br2 N2 O4 -","- C120 H208 Br16 N16 O32 -","8","1","","Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian","Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production","Chemical Communications","2019","","","","","10.1039/C9CC01150A","","x-ray","0.71073","MoKα","","0.0374","0.031","","","0.0735","0.0772","","","","","","1.087","","","","has coordinates,has disorder","214601","2020-10-21","18:00:00",""
"7125343","13.5259","0.0012","9.785","0.0009","29.268","0.003","90","","95.506","0.005","90","","3855.8","0.6","296","2","296","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C44 H60 N2 O2 -","- C44 H60 N2 O2 -","- C176 H240 N8 O8 -","4","0.5","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.0984","0.057","","","0.1514","0.1694","","","","","","1.12","","","","has coordinates","236769","2020-10-21","18:00:00",""
"7126939","18.204","0.003","9.6686","0.0013","22.537","0.003","90","","112.803","0.013","90","","3656.7","1","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C38 H44 Br2 N2 S2 Sn -","- C38 H44 Br2 N2 S2 Sn -","- C152 H176 Br8 N8 S8 Sn4 -","4","0.5","","Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne","Aggregation induced emission - emissive stannoles in the solid state.","Chemical communications (Cambridge, England)","2020","56","68","9775","9778","10.1039/d0cc04525j","","x-ray","0.71073","MoKα","","0.0432","0.0267","","","0.0457","0.0505","","","","","","1.067","","","","has coordinates","256015","2020-10-21","18:00:00",""
"7129650","17.3731","0.0016","11.8564","0.0012","32.707","0.004","90","","97.366","0.008","90","","6681.5","1.2","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C36 H24 Cd Cl2 N2 O4 -","- C36 H24 Cd Cl2 N2 O4 -","- C288 H192 Cd8 Cl16 N16 O32 -","8","1","","Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping","Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements","Chemical Communications","2022","","","","","10.1039/D1CC07139D","","","0.71073","MoKα","","0.0983","0.0614","","","0.1392","0.1553","","","","","","1.033","","","","has coordinates,has disorder","272431","2022-02-02","22:52:06",""
"7129776","16.5487","0.0003","9.1479","0.0002","34.5522","0.0007","90","","95.294","0.002","90","","5208.4","0.18","149.99","0.1","149.99","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C24 H88 B14 K2 N4 O12 -","- C24 H88 B14 K2 N4 O12 -","- C96 H352 B56 K8 N16 O48 -","4","0.5","","Chen, Xi-Meng; Jia, Si-Han; Kang, Jiaxin; Zhang, Yichun; Ma, Yubin; Ma, Yi-ming; Jiang, Xin; Yu, Xing-Chao; Qiu, Pengtao; Chen, Xuenian","Synthesis of K[B3H7NH2BH2NH2B3H7] for K-ion solid-state electrolyte","Chemical Communications","2022","","","","","10.1039/D2CC00408A","","x-ray","1.54184","CuKα","","0.0755","0.0577","","","0.1484","0.1581","","","","","","1.079","","","","has coordinates","273439","2022-03-04","22:51:48",""
"7129918","16.654","0.0004","27.2393","0.0008","27.6288","0.0006","90","","103.416","0.002","90","","12191.6","0.5","150","2","150","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C54 H140 Cu2 Ge18 N4 Si16 -","- C54 H140 Cu2 Ge18 N4 Si16 -","- C216 H560 Cu8 Ge72 N16 Si64 -","4","0.5","","Wallach, Chistoph; Klein, Wilhelm; Fässler, Thomas F","Oxidative Coupling of Silylated Nonagermanide Clusters","Chemical Communications","2022","","","","","10.1039/D2CC01250B","","","0.71073","MoKα","","0.0546","0.0311","","","0.0689","0.0818","","","","","","1.134","","","","has coordinates,has disorder","274328","2022-04-04","21:53:52",""
"7156471","22.0489","0.0005","15.0516","0.0003","18.1612","0.0004","90","","108.711","0.003","90","","5708.6","0.2","290.04","0.1","290.04","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N O -","- C18 H17 N O -","- C288 H272 N16 O16 -","16","2","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","x-ray","1.54184","CuKα","","0.0506","0.0416","","","0.1075","0.1155","","","","","","1.034","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7158677","17.402","0.004","11.109","0.002","25.127","0.01","90","","101.82","0.03","90","","4755","2","290","","290","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C27 H23 N3 O3 S -","- C27 H23 N3 O3 S -","- C216 H184 N24 O24 S8 -","8","1","","Yavari, Issa; Ghorbanzadeh , Meysam; Akbarzadeh, Somayeh","A synthesis of 2-amino-3-cyanopyrroles from terminal alkynes, sulfonyl azides and phenacylmalononitriles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00277A","","x-ray","0.71073","MoKα","","0.0628","0.0512","","","0.1263","0.1318","","","","","","1.089","","","","has coordinates","275211","2022-05-08","00:16:45",""
"7209314","13.223","","4.101","","13.089","","90","","122.72","","90","","597.157","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Ag (Au Cl4)","","- Ag Au Cl4 -","- Ag Au Cl4 -","- Ag4 Au4 Cl16 -","4","0.5","","Straehle, J.; Werner, W.","Die Kristallstruktur des Silbertetrachloroaurats(III) Ag Au Cl4 und seine kristallchemische Verwandtschaft zum Rubidiumtetrachloro- Aurat(III) Rb Au Cl4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","741","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213200","22.32","0.02","21.09","0.02","22.89","0.02","90","","94.583","0.01","90","","10741","17","293","2","293","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C60 H80 N4 O6 -","- C60 H72 N4 O6 -","- C480 H576 N32 O48 -","8","1","","Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate","Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","511","","10.1039/a908106b","","","0.71073","MoKα","","0.1851","0.0973","","","0.1999","0.2382","","","","","","1.152","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7218880","21.2119","0.0014","7.8518","0.0004","23.5414","0.0015","90","","95.42","0.006","90","","3903.3","0.4","296","2","296","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","1","","Mondal, Biplab; Kalita, Aswini; Kumar, Vikash","C-nitrosation of a -diketiminate ligand in copper(II) complex","RSC Adv.","2014","","","","","10.1039/C4RA08281H","","","0.71073","MoKα","","0.0937","0.0584","","","0.1619","0.1977","","","","","","1.011","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7220537","16.4871","0.0005","12.8345","0.0003","21.2978","0.0007","90","","112.389","0.004","90","","4167","0.2","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C22 H22 O5 S2 -","- C22 H22 O5 S2 -","- C176 H176 O40 S16 -","8","1","","Wang, Shu-Wen; Guo, Wei-Si; Wen, Li-Rong; Li, Ming","Yb(OTf)3 catalyzed [3+2] annulations of D−A cyclopropanes with β-oxodithioesters：a regioselective synthesis of tetrahydrothiophenes","RSC Adv.","2015","","","","","10.1039/C5RA06355H","","","0.71","MoKα","","0.0529","0.0521","","","0.1233","0.1239","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221722","27.0155","0.0019","13.565","0.0009","36.028","0.003","90","","97.0327","0.0008","90","","13103.7","1.7","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C60 H66 Cl N9 Ni2 O16 -","- C60 H66 Cl N9 Ni2 O16 -","- C480 H528 Cl8 N72 Ni16 O128 -","8","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0912","0.0709","","","0.204","0.2176","","","","","","1.04","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7223955","24.392","0.006","4.019","0.0005","24.609","0.017","90","","105.47","0.04","90","","2325.1","1.8","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C15 H11 N3 -","- C15 H11 N3 -","- C120 H88 N24 -","8","1","","Chen, Baohua; Tang, Dong; Wang, Jing; Wu, Ping; Guo, Xin; Li, Jihui; Yang, Sen","Synthesis of 1,2,4-Triazine Derivatives via [4+2] Domino Annulations Reactions in Onepot","RSC Adv.","2016","","","","","10.1039/C5RA26638F","","","0.71","MoKα","","0.1137","0.0699","","","0.1837","0.223","","","","","","1.051","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7229364","12.784","0.004","13.024","0.004","16.815","0.006","90","","91","0.02","90","","2799.3","1.6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C28 H30 Cd N2 O13 -","- C28 H24 Cd N2 O13 -","- C112 H96 Cd4 N8 O52 -","4","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0412","0.0359","","","0.1017","0.1089","","","","","","1.078","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229375","11.66","0.02","11.62","0.01","18.53","0.03","90","","102.62","0.04","90","","2450","6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C7 H6 Cu N6 O7 -","- C7 H2 Cu N6 O7 -","- C56 H16 Cu8 N48 O56 -","8","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.1617","0.0784","","","0.3194","0.35","","","","","","1.096","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7230359","18.5534","0.0002","22.8539","0.0003","20.0964","0.0003","90","","107.354","0.0015","90","","8133.3","0.2","291.11","0.1","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C60 H20 Cd N4 O24 -","- C60 H20 Cd N4 O24 -","- C240 H80 Cd4 N16 O96 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0599","0.055","","","0.15","0.1555","","","","","","1.046","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7231735","5.9689","0.0003","18.6102","0.0007","11.605","0.0006","90","","94.291","0.004","90","","1285.5","0.1","295","2","295","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 Mg O5 S -","- C12 H10 Mg O5 S -","- C48 H40 Mg4 O20 S4 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0515","0.0382","","","0.091","0.0993","","","","","","1.025","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7236017","24.8641","0.0012","6.0228","0.0003","18.6609","0.001","90","","97.811","0.005","90","","2768.6","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","Bis(3N-triazolyl)copper(I) tetrafluoroborate","","- C30 H26 B Cu F4 N6 -","- C30 H26 B Cu F4 N6 -","- C120 H104 B4 Cu4 F16 N24 -","4","0.5","","Qiu, Ran; Luo, Hai","Copper(i)‒triazole dimer formation and rate acceleration in in-source click reaction","RSC Advances","2015","5","116","96213","","10.1039/C5RA19855K","","x-ray","0.7107","MoKα","","0.0717","0.0561","","","0.1369","0.1482","","","","","","1.037","","","","has coordinates","233836","2020-10-21","18:00:00",""
"7236188","7.0081","0.0003","13.8198","0.0007","14.2897","0.0008","90","","99.282","0.005","90","","1365.84","0.12","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C12 H12 Cu N2 O6 S -","- C12 H12 Cu N2 O6 S -","- C48 H48 Cu4 N8 O24 S4 -","4","0.5","","Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral","Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties","RSC Advances","2016","6","51","46030","","10.1039/C6RA03493D","","","0.71069","MoKα","","0.0257","0.0243","","0.0273","0.0268","0.0267","","","","","","1.0787","","","","has coordinates","235245","2020-10-21","18:00:00",""
"7239726","32.816","0.012","9.466","0.005","33.049","0.013","90","","118.73","0.03","90","","9002","7","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C34 H24 Br2 Co2 N6 O8 -","- C34 H24 Br2 Co2 N6 O8 -","- C272 H192 Br16 Co16 N48 O64 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0531","0.0338","","","0.078","0.0843","","","","","","1.044","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239982","13.5349","0.0008","8.6599","0.0006","26.4575","0.0017","90","","95.607","0.006","90","","3086.3","0.3","100.01","0.13","100.01","0.13","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C32 H24 Cd N2 O12 S2 -","- C32 H24 Cd N2 O12 S2 -","- C128 H96 Cd4 N8 O48 S8 -","4","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0342","0.0327","","","0.0876","0.0888","","","","","","1.075","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7240816","6.14","0.005","6.848","0.006","27.39","0.02","90","","95.26","0.02","90","","1146.8","1.6","93","2","93","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0518","0.0447","","","0.0967","0.1002","","","","","","1.113","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7241684","34.01","0.002","9.0351","0.0005","38.6788","0.0018","90","","115.365","0.004","90","","10739.6","1.1","202","2","202","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C41 H28 Cd N7 O9 -","- C41 H28 Cd N7 O9 -","- C328 H224 Cd8 N56 O72 -","8","1","","Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong","Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands","RSC Advances","2020","10","68","41921","41925","10.1039/D0RA09305J","","","0.71073","MoKα","","0.0748","0.0656","","","0.1688","0.173","","","","","","1.101","","","","has coordinates","259589","2020-12-06","08:43:24",""
"7247065","21.5323","0.0004","6.9303","0.0001","29.2911","0.0007","90","","93.555","0.001","90","","4362.56","0.15","99.97","","100.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H21 F N4 O4 -","- C25 H21 F N4 O4 -","- C200 H168 F8 N32 O32 -","8","1","","Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard","The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)","RSC Advances","2023","13","32","21820","21837","10.1039/D3RA01741A","","","0.71073","MoKα","","0.0482","0.0358","","","0.0897","0.0978","","","","","","1.017","","","","has coordinates","285293","2023-07-20","01:26:10",""
"7701526","15.2228","0.0006","10.2158","0.0004","14.4221","0.0005","90","","110.266","0.004","90","","2103.98","0.15","100","2","100","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C16 H18 Co N10 O8 -","- C16 H18 Co N10 O8 -","- C64 H72 Co4 N40 O32 -","4","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0368","0.0324","","","0.0745","0.0777","","","","","","1.048","","","","has coordinates","223296","2020-10-21","18:00:00",""
"7701696","15.482","0.0003","10.3037","0.0002","27.306","0.0005","90","","104.261","0.001","90","","4221.67","0.14","150","2","150","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C22 H28 Cl2 Hf Si -","- C22 H28 Cl2 Hf Si -","- C176 H224 Cl16 Hf8 Si8 -","8","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot","Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2510","2520","10.1039/c8dt04986f","","","0.71073","MoKα","","0.0519","0.0417","","","0.1048","0.1098","","","","","","1.047","","","","has coordinates","223338","2020-10-21","18:00:00",""
"7702063","17.1056","0.0004","11.7616","0.0002","27.3199","0.0008","90","","104.388","0.002","90","","5324.1","0.2","125.4","0.14","125.4","0.14","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C44 H54 Br4 Co4 N4 O17 -","- C44 H54 Br4 Co4 N4 O17 -","- C176 H216 Br16 Co16 N16 O68 -","4","0.5","","Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10233","10248","10.1039/c6dt00380j","","","0.71073","MoKα","","0.0396","0.0318","","","0.0736","0.077","","","","","","1.0662","","","","has coordinates","234724","2020-10-21","18:00:00",""
"7702195","15.3342","0.0003","17.0365","0.0003","20.3884","0.0004","90","","111.213","0.002","90","","4965.39","0.18","100","2","100","2","","","","","","","","8","I 1 2/c 1","-I 2yc","15","Dinuclear cobalt(II) complex of rearranged ligand","","","- C32 H32 B4 Br4 Co2 F12 N8 O4 -","- C32 H32 B4 Br4 Co2 F12 N8 O4 -","- C128 H128 B16 Br16 Co8 F48 N32 O16 -","4","0.5","","Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally","Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11749","11759","10.1039/c8dt01502c","","","1.5418","CuKα","","0.0738","0.0728","","","0.1927","0.1933","","","","","","1.135","","","","has coordinates","236842","2020-10-21","18:00:00",""
"7702197","15.1883","0.0011","16.7251","0.0009","20.209","0.002","90","","110.296","0.01","90","","4814.9","0.7","100","2","100","2","","","","","","","","8","I 1 2/c 1","-I 2yc","15","Dinuclear cobalt(II) complex of rearranged ligand","","","- C32 H32 B4 Cl4 Co2 F12 N8 O4 -","- C32 H32 B4 Cl4 Co2 F12 N8 O4 -","- C128 H128 B16 Cl16 Co8 F48 N32 O16 -","4","0.5","","Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally","Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11749","11759","10.1039/c8dt01502c","","","1.54184","CuKα","","0.113","0.0772","","","0.2062","0.2278","","","","","","1.046","","","","has coordinates","236842","2020-10-21","18:00:00",""
"7702218","31.7768","0.0012","10.3456","0.0003","35.2605","0.0016","90","","102.63","0.004","90","","11311.4","0.8","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C68 H44 Cd3 N6 O15 -","- C68 H44 Cd3 N6 O15 -","- C544 H352 Cd24 N48 O120 -","8","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.1147","0.0575","","","0.0729","0.0974","","","","","","1.037","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702244","21.865","0.009","9.516","0.004","27.182","0.016","90","","106.251","0.006","90","","5430","5","296","2","296","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C52 H50 Cl3 Dy N4 O7 -","- C52 H50 Cl3 Dy N4 O7 -","- C208 H200 Cl12 Dy4 N16 O28 -","4","0.5","","Yu, Shui; Chen, Zilu; Hu, Huancheng; Li, Bo; Liang, Yuning; Liu, Dongcheng; Zou, Huahong; Yao, Di; Liang, Fupei","Two mononuclear dysprosium(iii) complexes with their slow magnetic relaxation behaviors tuned by coordination geometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16679","16686","10.1039/c9dt03253c","","","0.71073","MoKα","","0.0809","0.0433","","","0.1085","0.1257","","","","","","1.08","","","","has coordinates","237900","2020-10-21","18:00:00",""
"7704884","15.5025","0.0012","10.4734","0.0008","11.3532","0.0009","90","","93.231","0.007","90","","1840.4","0.2","120","","120","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H20 N6 O2 -","- C20 H20 N6 O2 -","- C80 H80 N24 O8 -","4","0.5","","Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth","Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10463","10476","10.1039/d0dt01964j","","x-ray","0.71073","MoKα","","0.1101","0.0565","","","0.1088","0.1299","","","","","","1.02","","","","has coordinates","257521","2020-10-21","18:00:00",""
"7706304","16.423","0.0004","11.4174","0.0003","34.1386","0.0007","90","","102.649","0.002","90","","6245.9","0.3","297","","297","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C23 H23 Eu N4 O11 -","- C23 H23 Eu N4 O11 -","- C184 H184 Eu8 N32 O88 -","8","1","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.0469","0.0405","","","0.1094","0.114","","","","","","1.059","","","","has coordinates,has disorder","260526","2021-01-05","07:43:11",""
"7706306","16.5848","0.0003","11.528","0.0003","33.9909","0.0007","90","","102.198","0.0018","90","","6352","0.2","297","","297","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C23 H23 N4 Nd O11 -","- C23 H23 N4 Nd O11 -","- C184 H184 N32 Nd8 O88 -","8","1","","Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna","Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15473","15480","10.1039/d0dt03264f","","x-ray","1.54184","CuKα","","0.079","0.0728","","","0.2117","0.2228","","","","","","1.056","","","","has coordinates,has disorder","260526","2021-01-05","07:43:12",""
"7711699","20.4197","0.0013","15.2284","0.001","24.1517","0.0013","90","","108.776","0.004","90","","7110.5","0.8","273.15","","273.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C52 H82 Dy2 N12 O28 -","- C52 H70 Dy2 N12 O22 -","- C208 H280 Dy8 N48 O88 -","4","0.5","","Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui","Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid","Dalton Transactions","2022","","","","","10.1039/D2DT02996K","","","0.71073","MoKα","","0.0447","0.0365","","","0.0962","0.1004","","","","","","1.036","","","","has coordinates","279046","2022-11-07","23:55:47",""
"7712618","8.774","0.006","9.536","0.006","18.164","0.012","90","","97.18","0.04","90","","1507.8","1.7","296.15","","296.15","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","0.5","","Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng","Conductance of <i>o</i>-carborane-based wires with different substitution patterns.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00011g","","","0.71073","MoKα","","0.0713","0.0424","","","0.0967","0.1078","","","","","","1.036","","","","has coordinates","281879","2023-03-15","00:02:43",""
"7712808","27.1266","0.0007","12.8624","0.0003","12.9099","0.0003","90","","92.062","0.002","90","","4501.52","0.19","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C15 H35 Cl Co P3 Si -","- C15 H35 Cl Co P3 Si -","- C120 H280 Cl8 Co8 P24 Si8 -","8","1","","Fan, Qingqing; Du, Xinyu; Yang, Wenjing; Li, Qingshuang; Huang, Wei; Sun, Hongjian; Hinz, Alexander; Li, Xiaoyan","Effects of silylene ligands on performance of carbonyl hydrosilylation catalyzed by cobalt phosphine complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00372H","","x-ray","1.54184","CuKα","","0.0623","0.0548","","","0.141","0.147","","","","","","0.859","","","","has coordinates","282706","2023-04-18","23:38:34",""
"7713748","23.441","0.01","13.85","0.003","34.65","0.01","90","","90.12","0.02","90","","11249","6","297","","297","","","","","","","","Chemical synthesis","6","I 1 2/c 1","-I 2yc","15","","msk50","","- C54 H34 Eu F9 N2 O6 -","- C54 H34 Eu F9 N2 O6 -","- C432 H272 Eu8 F72 N16 O48 -","8","1","","Ilmi, Rashid; Li, Xiaofang; Al Rasbi, Nawal K.; Zhou, Liang; Wong, Wai-Yeung Raymond; Raithby, Paul R.; Khan, Muhammad S.","Two new red emitting ternary europium(III) complexes with high photoluminescence quantum yields and exceptional performance in OLED devices","Dalton Transactions","2023","","","","","10.1039/D3DT02147E","","","0.71073","MoKα","","0.1667","0.0598","","","0.1359","0.1764","","","","","","0.981","","","","has coordinates,has disorder","285779","2023-08-15","22:55:11",""
"8103425","9.76","","5.902","","14.116","","90","","120.05","","90","","703.837","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Rb (Au Cl4)","","- Au Cl4 Rb -","- Au Cl4 Rb -","- Au4 Cl16 Rb4 -","4","0.5","","Straehle, J.; Baernighausen, H.","Kristallchemischer Vergleich der Strukturen von Rb Au Cl4 und Rb Au Br4.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","134","","471","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103630","5.6749","","15.1427","","6.5091","","90","","118.491","","90","","491.607","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ca (S O4) (H2 O)2","","- Ca H4 O6 S -","- Ca H4 O6 S -","- Ca4 H16 O24 S4 -","4","0.5","","Schofield, P.F.; Stretton, I.C.; Knight, K.S.; Wilson, C.C.","Temperature related structural variation of the hydrous components in gypsum","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","707","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103972","17.186","","7.413","","6.663","","90","","95.39","","90","","845.112","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Ca Zn2 (P O4)2 (H2 O)2","","- Ca H4 O10 P2 Zn2 -","- Ca O10 P2 Zn2 -","- Ca4 O40 P8 Zn8 -","4","0.5","","Taxer, K.J.; Bartl, H.","Die ""geordnete gemittelte"" Kristallstruktur von Parascholzit. Zur Dimorphie von Ca Zn2 (P O4)2 . 2(H2 O), Parascholzit-Scholzit.","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","197","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104437","14.271","","5.688","","17.632","","90","","94.15","","90","","1427.5","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","K Co (C O)4","","- C4 Co K O4 -","- C4 Co K O4 -","- C32 Co8 K8 O32 -","8","1","","Kluefers, P.","Die Kristallstrukturen von K Co (C O)4 und Rb Co (C O)4","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","","253","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104438","14.621","","5.746","","18.22","","90","","93.92","","90","","1527.12","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Rb Co (C O)4","","- C4 Co O4 Rb -","- C4 Co O4 Rb -","- C32 Co8 O32 Rb8 -","8","1","","Kluefers, P.","Die Kristallstrukturen von K Co (C O)4 und Rb Co (C O)4","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","","253","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8106035","21.8573","0.0013","5.8605","0.0004","33.683","0.002","90","","97.428","0.005","90","","4278.4","0.5","293.42","0.1","293.42","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C52 H42 Cu N4 O4 -","- C52 H42 Cu N4 O4 -","- C208 H168 Cu4 N16 O16 -","4","0.5","","Li, Jing; Yu, Bin; Jia, Hao-Ran; Sun, Yin-Xia","Crystal structure of bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ2 O,N)copper(II), C52H42CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","33","35","10.1515/ncrs-2017-0107","","x-ray","0.71073","MoKα","","0.0864","0.0554","","","0.1042","0.1255","","","","","","1.06","","","","has coordinates","279147","2022-11-09","08:54:33",""
"9000405","18.894","","7.161","","7.162","","90","","99.99","","90","","954.326","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Trolleite","- Al4 H3 O15 P3 -","- Al4 H3 O15 P3 -","- Al16 H12 O60 P12 -","4","0.5","","Moore, P. B.; Araki, T.","Trolleite, Al4(OH)3[PO4]3: A very dense structure with octahedral face-sharing dimers","American Mineralogist","1974","59","","974","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000433","8.388","","12.974","","14.264","","90","","115.2","","90","","1404.56","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al16 O64 Si16 Sr8 -","8","1","","Chiari, G.; Calleri, M.; Bruno, E.; Ribbe, P. H.","The structure of partially disordered, synthetic strontium feldspar","American Mineralogist","1975","60","","111","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:56",""
"9000508","8.622","","13.078","","14.411","","90","","115.1","","90","","1471.52","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Celsian","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al16 Ba8 O64 Si16 -","8","1","","Griffen, D. T.; Ribbe, P. H.","Refinement of the crystal structure of celsian","American Mineralogist","1976","61","","414","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9001784","8.388","","13.067","","14.327","","90","","115.19","","90","","1420.99","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 O8 Pb0.5 Si2 -","- Al2 O8 Pb0.5 Si2 -","- Al16 O64 Pb4 Si16 -","8","1","","Benna, P.; Tribaudino, M.; Bruno, E.","The structure of ordered and disordered lead feldspar (PbAl2Si2O8) Sample: ordered","American Mineralogist","1996","81","","1337","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001893","8.395","","13.081","","14.343","","90","","115.27","","90","","1424.35","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 O8 Pb Si2 -","- Al2 O8 Pb Si2 -","- Al16 O64 Pb8 Si16 -","8","1","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L1h, single Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001894","8.395","","13.081","","14.343","","90","","115.27","","90","","1424.35","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al O4 Pb0.5 Si -","- Al O4 Pb0.5 Si -","- Al16 O64 Pb8 Si16 -","16","2","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L1h, split Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001895","8.399","","13.061","","14.334","","90","","115.28","","90","","1421.84","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 O8 Pb Si2 -","- Al2 O8 Pb Si2 -","- Al16 O64 Pb8 Si16 -","8","1","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L16h, single Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001896","8.399","","13.061","","14.334","","90","","115.28","","90","","1421.84","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al O4 Pb0.5 Si -","- Al O4 Pb0.5 Si -","- Al16 O64 Pb8 Si16 -","16","2","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L16h, split Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001897","8.405","","13.063","","14.344","","90","","115.29","","90","","1423.95","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 O8 Pb Si2 -","- Al2 O8 Pb Si2 -","- Al16 O64 Pb8 Si16 -","8","1","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L64h, single Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9001898","8.405","","13.063","","14.344","","90","","115.29","","90","","1423.95","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al O4 Pb0.5 Si -","- Al O4 Pb0.5 Si -","- Al16 O64 Pb8 Si16 -","16","2","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L64h, split Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9001899","8.418","","13.076","","14.365","","90","","115.28","","90","","1429.78","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 O8 Pb Si2 -","- Al2 O8 Pb Si2 -","- Al16 O64 Pb8 Si16 -","8","1","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_H136h, single Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9001900","8.418","","13.076","","14.365","","90","","115.28","","90","","1429.78","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al O4 Pb0.5 Si -","- Al O4 Pb0.5 Si -","- Al16 O64 Pb8 Si16 -","16","2","","Tribaudino, M.; Benna, P.; Bruno, E.","Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_H136h, split Pb site","American Mineralogist","1998","83","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9002003","8.402","","13.043","","14.308","","90","","115.3","","90","","1417.58","","","","293.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.16 O8 Pb Si2.84 -","- Al1.16 O8 Pb Si2.84 -","- Al9.28 O64 Pb8 Si22.72 -","8","1","","Benna, P.; Tribaudino, M.; Bruno, E.","High-temperature in situ structural investigation on lead feldspar Sample at T = 20 C, single Pb atom model","American Mineralogist","1999","84","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9002004","8.422","","13.045","","14.31","","90","","115.34","","90","","1420.9","","","","503.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.16 O8 Pb Si2.84 -","- Al1.16 O8 Pb Si2.84 -","- Al9.28 O64 Pb8 Si22.72 -","8","1","","Benna, P.; Tribaudino, M.; Bruno, E.","High-temperature in situ structural investigation on lead feldspar Sample at T = 230 C, single Pb atom model","American Mineralogist","1999","84","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9002005","8.44","","13.051","","14.325","","90","","115.33","","90","","1426.2","","","","738.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.16 O8 Pb Si2.84 -","- Al1.16 O8 Pb Si2.84 -","- Al9.28 O64 Pb8 Si22.72 -","8","1","","Benna, P.; Tribaudino, M.; Bruno, E.","High-temperature in situ structural investigation on lead feldspar Sample at T = 465 C, single Pb atom model","American Mineralogist","1999","84","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9002007","8.402","","13.043","","14.308","","90","","115.3","","90","","1417.58","","","","293.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al0.58 O4 Pb0.5 Si1.42 -","- Al0.58 O4 Pb0.5 Si1.42 -","- Al9.28 O64 Pb8 Si22.72 -","16","2","","Benna, P.; Tribaudino, M.; Bruno, E.","High-temperature in situ structural investigation on lead feldspar Sample at T = 20 C, split Pb atom model","American Mineralogist","1999","84","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9002008","8.422","","13.045","","14.31","","90","","115.34","","90","","1420.9","","","","503.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al0.58 O4 Pb0.5 Si1.42 -","- Al0.58 O4 Pb0.5 Si1.42 -","- Al9.28 O64 Pb8 Si22.72 -","16","2","","Benna, P.; Tribaudino, M.; Bruno, E.","High-temperature in situ structural investigation on lead feldspar Sample at T = 230 C, split Pb atom model","American Mineralogist","1999","84","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9002009","8.44","","13.051","","14.325","","90","","115.33","","90","","1426.2","","","","738.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al0.58 O4 Pb0.5 Si1.42 -","- Al0.58 O4 Pb0.5 Si1.42 -","- Al9.28 O64 Pb8 Si22.72 -","16","2","","Benna, P.; Tribaudino, M.; Bruno, E.","High-temperature in situ structural investigation on lead feldspar Sample at T = 465 C, split Pb atom model","American Mineralogist","1999","84","","120","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9002563","8.379","","12.963","","14.245","","90","","115.46","","90","","1396.99","","","","293.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 20 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002564","8.392","","12.967","","14.26","","90","","115.43","","90","","1401.41","","","","433.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 160 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002565","8.399","","12.963","","14.266","","90","","115.39","","90","","1403.2","","","","603.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 330 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002566","8.414","","12.97","","14.28","","90","","115.34","","90","","1408.43","","","","783.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 510 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002567","8.428","","12.975","","14.291","","90","","115.34","","90","","1412.41","","","","943.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 670 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9003092","8.386","","12.97","","14.283","","90","","115.46","","90","","1402.64","","","","893.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al2 Ca0.2 O8 Si2 Sr0.8 -","- Al2 Ca0.2 O8 Si2 Sr0.8 -","- Al16 Ca1.6 O64 Si16 Sr6.4 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 620 C","American Mineralogist","2003","88","","1532","1541","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9005685","8.772","","13.37","","14.69","","90","","115.944","","90","","1549.24","","","","","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","Filatovite","- Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1 -","- Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1 -","- Al15.2 As8.8 K7.2 Na0.8 O64 Si7.2 Zn0.8 -","8","1","","Filatov, S. K.; Krivovichev, S. V.; Burns, P. C.; Vergasova, L. P.","Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8], the first arsenate of the feldspar group","European Journal of Mineralogy","2004","16","","537","543","10.1127/0935-1221/2004/0016-0537","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007783","8.9003","","7.748","","9.6496","","90","","90.23","","90","","665.426","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- H2 I2 O7 Sr -","- H2 I2 O7 Sr -","- H8 I8 O28 Sr4 -","4","0.5","","Lutz, H. D.; Kellersohn, T.; Vogt, T.","Structural instability of the water molecule in Sr(IO3)2.H2O, a neutron diffraction study","Acta Crystallographica, Section C","1990","46","","979","981","10.1107/S0108270189010218","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008193","23.406","","5.048","","8.381","","90","","97.53","","90","","981.705","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- B2 O6 Zn3 -","- B2 O6 Zn3 -","- B16 O48 Zn24 -","8","1","","Baur, W. H.; Tillmanns, E.","The space group and crystal structure of trizinc diorthoborate","Zeitschrift fur Kristallographie","1970","131","","213","221","10.1524/zkri.1970.131.1-6.213","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008286","14.263","","7.62","","10.025","","90","","93.27","","90","","1087.78","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- Ca3 Mn2 O14 Si4 -","- Ca3 Mn2 O14 Si4 -","- Ca12 Mn8 O56 Si16 -","4","0.5","","Moore, P. B.; Araki, T.","Crystal structure of synthetic Ca3Mn2O2[Si4O12] Note: stable only at P greater than 1.3 GPa","Zeitschrift fur Kristallographie","1979","150","","287","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009933","6.78","","10.42","","12.11","","90","","100.8","","90","","840.388","","","","","","","","","","","","","2","I 1 2/c 1","-I 2yc","15","","","Patronite","- S4 V -","- S4 V -","- S32 V8 -","8","1","","Allmann, R.; Baumann, I.; Kutoglu, A.; Rosch, H.; Hellner, E.","Die kristallstruktur des patronits V(S2)2 Locality: Minasraga, Peru","Naturwissenschaften","1964","51","","263","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010288","8.209","","12.78","","14.009","","90","","115.27","","90","","1329.06","","","","","","","","4400000","","","","Synthetic","5","I 1 2/c 1","-I 2yc","15","","","Slawsonite","- Al2 Ca0.2 O8 Si2 Sr0.8 -","- Al2 Ca0.2 O8 Si2 Sr0.8 -","- Al16 Ca1.6 O64 Si16 Sr6.4 -","8","1","","Benna, P.; Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Lundegaard, L. F.; Bruno, E.","The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: The I-1-I2/c and I2/c-P2_1/c phase transitions Sample: P = 4.4 GPa","American Mineralogist","2007","92","","1190","1199","10.2138/am.2007.2402","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010289","8.128","","12.671","","13.866","","90","","114.98","","90","","1294.47","","","","","","","","6200000","","","","Synthetic","5","I 1 2/c 1","-I 2yc","15","","","Slawsonite","- Al2 Ca0.2 O8 Si2 Sr0.8 -","- Al2 Ca0.2 O8 Si2 Sr0.8 -","- Al16 Ca1.6 O64 Si16 Sr6.4 -","8","1","","Benna, P.; Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Lundegaard, L. F.; Bruno, E.","The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: The I-1-I2/c and I2/c-P2_1/c phase transitions Sample: P = 6.2 GPa","American Mineralogist","2007","92","","1190","1199","10.2138/am.2007.2402","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011014","8.8","","3.95","","5.96","","90","","90.67","","90","","207.155","","","","","","","","","","","","Peanut mine, Montrose County, Colorado, USA","3","I 1 2/c 1","","","","","Duttonite","- H2 O3 V -","- H2 O3 V -","- H8 O12 V4 -","4","0.5","","Evans, H. T.; Mrose, M. E.","The crystal structures of three new vanadium oxide minerals Note: x(OH2) corrected","Acta Crystallographica","1958","11","","56","58","10.1107/S0365110X58000141","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9017313","5.679","","15.202","","6.522","","90","","118.43","","90","","495.153","","","","","","","","","","","","Hampshire, England","4","I 1 2/c 1","-I 2yc","15","","","Gypsum","- Ca H4 O6 S -","- Ca H4 O6 S -","- Ca4 H16 O24 S4 -","4","0.5","","Pedersen, B. F.; Semmingsen, D.","Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O","Acta Crystallographica, Section B","1982","38","","1074","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017794","6.775","","10.42","","12.11","","90","","100.8","","90","","839.769","","","","","","","","","","","","Minasraga, Peru","2","I 1 2/c 1","-I 2yc","15","","","Patronite","- S4 V -","- S32 V8 -","- S32 V8 -","","","","Kutoglu, A.; Allmann, R.","Strukturverfeinerung des Patronits, V(S2)2","Neues Jahrbuch fur Mineralogie, Monatshefte","1972","1972","","339","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:22",""