# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T17:54:21+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 2/c 1 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
"4081438","36.3153","0.0003","12.57515","0.00007","25.64894","0.00015","90","","102.718","0.0006","90","","11425.8","0.13","115","2","115","2","","","","","","","","7","I 2/c 1 1","-I 2yc","15","","","","- C53 H58 B F24 N Ni P2 -","- C53 H58 B F24 N Ni P2 -","- C424 H464 B8 F192 N8 Ni8 P16 -","8","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0604","0.0587","","","0.143","0.1442","","","","","","1.046","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4087332","28.8593","0.0004","12.2845","0.0002","33.8899","0.0005","90","","104.681","0.001","90","","11622.5","0.3","141","2","140","1","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C31 H38 Au N O2 -","- C31 H37 Au N O2 -","- C496 H592 Au16 N16 O32 -","16","2","","Chambrier, Isabelle; Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Budzelaar, Peter H. M.; Bochmann, Manfred","Formation of Gold(III) Alkyls from Gold Alkoxide Complexes.","Organometallics","2017","36","7","1358","1364","10.1021/acs.organomet.7b00077","","","0.71073","Mo-Kα","","0.0875","0.0595","","","0.1309","0.1436","","","","","","1.088","","","","has coordinates,has disorder","196059","2020-10-21","18:00:00",""
"4512682","15.4272","0.0002","29.416","0.0004","16.356","0.0002","90","","94.595","0.001","90","","7398.6","0.17","100","2","100","2","","","","","","","","4","I 2/c 1 1","-I 2yc","15","","","","- C24 H8 O14.5 Zn2.5 -","- C24 H11 O14.5 Zn2.5 -","- C192 H88 O116 Zn20 -","8","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.0778","0.0652","","","0.1919","0.205","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"7035785","8.1745","0.0005","16.2911","0.0014","9.6859","0.0005","90","","100.567","0.003","90","","1268.01","0.15","120","2","120","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C10 H10 Au Br2 N3 -","- C10 H10 Au Br2 N3 -","- C40 H40 Au4 Br8 N12 -","4","0.5","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0284","0.0265","","","0.0678","0.0691","","","","","","1.062","","","","has coordinates,has disorder","153220","2020-10-21","18:00:00",""
"7036518","17.6906","0.0012","9.2409","0.0006","19.8228","0.0013","90","","114.697","0.006","90","","2944.2","0.4","273","2","273","2","","","","","","","","6","I 2/c 1 1","-I 2yc","15","","","","- C17 H12 N O18 P4 U2 -","- C17 H12 N O18 P4 U2 -","- C68 H48 N4 O72 P16 U8 -","4","0.5","","Zheng, Tao; Gao, Yang; Chen, Lanhua; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","A new chiral uranyl phosphonate framework consisting of achiral building units generated from ionothermal reaction: structure and spectroscopy characterizations.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18158","18166","10.1039/c5dt02667a","","","0.71073","MoKα","","0.0288","0.0218","","","0.081","0.0974","","","","","","1.389","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037052","16.407","0.003","9.768","0.002","23.226","0.005","90","","90.32","0.03","90","","3722.2","1.3","100","2","100","2","","","","","","","","4","I 2/c 1 1","-I 2yc","15","","","","- C36 H26 Fe N28 -","- C36 H26 Fe N28 -","- C144 H104 Fe4 N112 -","4","0.5","","Gentili, Denis; Liscio, Fabiola; Demitri, Nicola; Schäfer, Bernhard; Borgatti, Francesco; Torelli, Piero; Gobaut, Benoit; Panaccione, Giancarlo; Rossi, Giorgio; Degli Esposti, Alessandra; Gazzano, Massimo; Milita, Silvia; Bergenti, Ilaria; Ruani, Giampiero; Šalitroš, Ivan; Ruben, Mario; Cavallini, Massimiliano","Surface induces different crystal structures in a room temperature switchable spin crossover compound.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","134","143","10.1039/c5dt03712c","","","0.8","Synchrotron","","0.0532","0.0423","","","0.1096","0.1175","","","","","","1.024","","","","has coordinates","176116","2020-10-21","18:00:00",""
"7043612","19.7135","0.0009","8.2535","0.0003","29.2012","0.0019","90","","108.334","0.006","90","","4510","0.4","293","2","293","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C25 H19 N3 Ni O7 -","- C25 H19 N3 Ni O7 -","- C200 H152 N24 Ni8 O56 -","8","1","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.0704","0.0493","","","0.1404","0.1643","","","","","","1.017","","","","has coordinates","198738","2020-10-21","18:00:00",""
"7056761","43.3833","0.001","9.7679","0.0002","38.6961","0.0007","90","","94.968","0.002","90","","16336.4","0.6","100","1","100","1","","","","","","","","7","I 2/c 1 1","-I 2ya","15","","","","- C42 H30 Br2 N4 O6 Pd2 S2 -","- C42 H30 Br2 N4 O6 Pd2 S2 -","- C672 H480 Br32 N64 O96 Pd32 S32 -","16","2","","Karami, Kazem; alinaghi, moloud; Amirghofran, Zahra; Lipkowski, Janusz; Momtazi-borojeni, amir abbas","A saccharinate-bridged palladacyclic dimer with Pd-Pd bond: experimental and molecular docking studies of the interaction with DNA and BSA and in vitro cytotoxicity activities against human cancer cell lines","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03138F","","","1.54184","CuKα","","0.0638","0.0542","","","0.1481","0.1564","","","","","","0.966","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7219943","30.616","0.0015","6.633","0.0002","20.9653","0.001","90","","93.234","0.004","90","","4250.8","0.3","295","2","295","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C208 H200 Br8 N16 O8 -","8","1","","Xia, Xiao-Feng; Zhu, Su-Li; Gu, Zhen; Wang, Haijun","Copper-Catalyzed C-H Alkylation of 8-Aminoquinolines via 8-Amide Chelation Assistance","RSC Adv.","2015","","","","","10.1039/C4RA16896H","","","1.5418","CuKα","","0.0444","0.0388","","","0.1043","0.1107","","","","","","1.034","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220224","14.5595","0.0007","13.7315","0.0007","33.707","0.003","90","","98.022","0.006","90","","6672.9","0.8","150","2","150","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","Hydroxymethyl-(BEDT-TTF) triiodide","","","- C11 H10 I3 O S8 -","- C11 H6 I3.00033 O S8 -","- C132 H72 I36.004 O12 S96 -","12","1.5","","Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael","A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies","RSC Adv.","2015","","","","","10.1039/C5RA04568A","","","0.71073","MoKα","","0.1171","0.0893","","","0.1987","0.214","","","","","","1.115","","","","has coordinates,has disorder","135768","2020-10-21","18:00:00",""
"7228046","18.7994","0.0007","13.0415","0.0008","16.9882","0.001","90","","93.823","0.005","90","","4155.8","0.4","293","2","293","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C21 H12 N4 O7 Zn2 -","- C21 H12 N4 O7 Zn2 -","- C168 H96 N32 O56 Zn16 -","8","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0795","0.0502","","","0.114","0.1311","","","","","","1.015","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228948","25.9705","0.0011","8.7538","0.0005","45.267","0.003","90","","104.053","0.005","90","","9983","1","298","2","298","2","","","","","","","","6","I 2/c 1 1","-I 2yc","15","","","","- C40 H50 Cl F12 N5 O3 -","- C40 H50 Cl F12 N5 O3 -","- C320 H400 Cl8 F96 N40 O24 -","8","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.1665","0.0969","","","0.2723","0.3049","","","","","","1.186","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""