# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T12:38:17+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21 c a' 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
"1502356","6.6296","0.0005","11.8971","0.0009","23.4759","0.0005","90","","90","","90","","1851.6","0.2","295","2","295","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Saha, Uday Chand; Dhara, Koushik; Chattopadhyay, Basab; Mandal, Sushil Kumar; Mondal, Swastik; Sen, Supriti; Mukherjee, Monika; van Smaalen, Sander; Chattopadhyay, Pabitra","A new half-condensed Schiff base compound: highly selective and sensitive pH-responsive fluorescent sensor.","Organic letters","2011","13","17","4510","4513","10.1021/ol201652r","","","0.71069","MoKα","","0.1861","0.07","","","0.174","0.2649","","","","","","1.514","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502582","12.6449","0.0006","17.7036","0.0009","23.2599","0.0012","90","","90","","90","","5207","0.5","111","2","111","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","","- C26 H44 Si2 -","- C26 H44 Si2 -","- C208 H352 Si16 -","8","2","","Kinoshita, Hidenori; Ishikawa, Tomoyuki; Miura, Katsukiyo","Dialkylaluminum hydride-promoted cyclodimerization of silylated 1,3-enynes via skeletal rearrangement.","Organic letters","2011","13","23","6192","6195","10.1021/ol202601s","","","0.71073","MoKα","","0.0489","0.0411","","","0.1253","0.1379","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000592","7.844","0.002","10.244","0.019","26.55","0.005","90","","90","","90","","2133","4","","","","","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C17 H23 Cl2 Fe O6 -","- C17 H23 Cl2 Fe O6 -","- C68 H92 Cl8 Fe4 O24 -","4","1","BR0016","Pang, L.; Hynes, R. C.; Whitehead, M. A.","Structure of the clathrate compound tris(2,4-pentanedionato)iron(III)-<i>trans</i>-1,2-dichloroethene (1/1)","Acta Crystallographica Section C","1992","48","9","1594","1597","10.1107/S0108270192001331","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","205966","2020-10-21","18:00:00",""
"2008885","10.82","0.02","9.98","0.02","43.13","0.07","90","","90","","90","","4657","15","100","","","","","","","","","","","6","P 21 c a","P -2ac 21","","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C80 Ca16 Cl32 D240 N16 O64 -","16","4","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.084","","","0.088","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019177","9.31165","0.00009","4.62854","0.00005","15.81663","0.00016","90","","90","","90","","681.686","0.012","298","2","298","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0211","0.019","","","","0.047","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019178","9.3044","0.0005","4.6253","0.0002","15.8331","0.0008","90","","90","","90","","681.39","0.06","90","1","90","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0158","0.0151","","","","0.0379","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019179","9.3081","0.0006","4.6267","0.0003","15.8298","0.0011","90","","90","","90","","681.72","0.08","150","1","150","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.016","0.0153","","","","0.0372","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2100768","10.894","0.002","10.013","0.001","43.237","0.006","90","","90","","90","","4716","1","","","","","","","","","","","","6","P 21 c a","","","","","","- C5 H15 Ca Cl2 N O4 -","- C H2 Ca0.25 Cl0.25 N0.25 O0.75 -","- C16 H32 Ca4 Cl4 N4 O12 -","16","4","AL0497","Ezpeleta, J. M.; Zúñiga, F. J.; Pérez-Mato, J. M.; Paciorek, W. A.; Breczewski, T.","Structural analysis of the fourfold phase of betaine calcium chloride dihydrate at 90 K","Acta Crystallographica Section B","1992","48","3","261","269","10.1107/S0108768191013472","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100769","10.894","0.002","10.013","0.001","43.237","0.006","90","","90","","90","","4716","1","","","","","","","","","","","","6","P 21 c a","","","","","","- C5 H15 Ca Cl2 N O4 -","- C5 H14.75 Ca Cl2 N O4 -","- C80 H236 Ca16 Cl32 N16 O64 -","16","4","AL0497","Ezpeleta, J. M.; Zúñiga, F. J.; Pérez-Mato, J. M.; Paciorek, W. A.; Breczewski, T.","Structural analysis of the fourfold phase of betaine calcium chloride dihydrate at 90 K","Acta Crystallographica Section B","1992","48","3","261","269","10.1107/S0108768191013472","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2202095","9.761","0.0003","5.2219","0.0002","14.1713","0.0004","90","","90","","90","","722.32","0.04","298","2","298","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","Diaquaiminodiacetatonickel(II)","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C16 H36 N4 Ni4 O24 -","4","1","NA6238","Wu, Yan-Rong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","Diaquaiminodiacetatonickel(II)","Acta Crystallographica Section E","2003","59","6","m390","m392","10.1107/S1600536803011279","","","0.71073","MoKα","","0.055","0.054","","","0.105","0.105","","","","","","1.25","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206777","8.195","0.0008","11.1921","0.0008","26.931","0.003","90","","90","","90","","2470.1","0.4","293","2","","","","","","","","","","3","P 21 c a","P -2ac 2a","29","1,3-bis(9-ethylcarbazol-3-yl)propane","1,3-bis(9-ethyl-9H-carbazol-3-yl)propane","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","1","OM6253","Asker, Erol; Masnovi, John","1,3-Bis(9-ethylcarbazol-3-yl)propane","Acta Crystallographica Section E","2005","61","9","o2781","o2783","10.1107/S1600536805024050","","","0.71073","MoKα","","","0.0515","","","","0.129","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"4029327","8.062","0.0005","16.422","0.001","16.717","0.001","90","","90","","90","","2213.2","0.2","123","2","123","2","","","","","","","","2","P 21 c a","P -2ac 2a","29","","","","- C37 H20 -","- C37 H20 -","- C148 H80 -","4","1","","Shrestha, Binod Babu; Higashibayashi, Shuhei; Sakurai, Hidehiro","Columnar/herringbone dual crystal packing of pyrenylsumanene and its photophysical properties.","Beilstein journal of organic chemistry","2014","10","","841","847","10.3762/bjoc.10.80","","","0.71069","MoKα","","0.1684","0.0639","","","0.1308","0.1715","","","","","","0.933","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4031965","9.3167","0.0006","12.8999","0.0008","20.3246","0.0014","90","","90","","90","","2442.7","0.3","100","2","100","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C26 H24 N5 O3 P Pd -","- C26 H24 N5 O3 P Pd -","- C104 H96 N20 O12 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0459","0.0338","","","0.0734","0.078","","","","","","0.995","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4074630","15.2228","0.0016","16.3482","0.0017","13.2296","0.0014","90","","90","","90","","3292.4","0.6","120","2","120","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C10 H21 B8 Cl Co P -","- C10 H21 B8 Cl Co P -","- C80 H168 B64 Cl8 Co8 P8 -","8","2","","Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†","Organometallics","2006","25","10","2419","","10.1021/om050653u","","","0.71073","MoKα","","0.0551","0.044","","","0.0934","0.0973","","","","","","1.01","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4077695","8.1554","0.0003","21.5857","0.0006","29.8363","0.0009","90","","90","","90","","5252.4","0.3","298","2","298","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C25 H18 Co2 N3 O5 P -","- C25 H18 Co2 N3 O5 P -","- C200 H144 Co16 N24 O40 P8 -","8","2","","Castro, Jaume; Moyano, Albert; Pericàs, Miquel A.; Riera, Antoni; Maestro, Miguel Angel; Mahía, José","Tris(pyrrolyl)phosphine-Substituted Acetylene−Dicobaltcarbonyl Complexes: Syntheses, Structural Characterization, and Reactivity Studies","Organometallics","2000","19","9","1704","","10.1021/om990914y","","","0.71073","MoKα","","0.0895","0.0543","","","0.1197","0.1417","","","","","","1.008","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4112903","10.9314","0.0013","19.06","0.002","36.468","0.004","90","","90","","90","","7598.2","1.5","118","2","118","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C38 H62 N2 Si V -","- C37.9885 H61.9655 N2 Si V -","- C303.908 H495.724 N16 Si8 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.1064","0.0822","","","0.2174","0.2344","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4301421","12.4629","0.0011","7.4882","0.0006","12.4937","0.0011","90","","90","","90","","1165.97","0.17","293","","293","","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","","- Cr Er2 S4 -","- Cr Er2 S4 -","- Cr8 Er16 S32 -","8","2","","Paz Vaqueiro; Iwona Szkoda; Rodolfo D. Sanchez; Anthony V. Powell","Ternary Erbium Chromium Sulfides: Structural Relationships and Magnetic Properties","Inorganic Chemistry","2009","48","","1284","1292","10.1021/ic801482a","","","0.71073","MoKα","","0.0791","0.0329","","0.02","0.0128","0.0128","","","","","","1.0153","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4312917","15.242","0.002","10.593","0.002","19.072","0.004","90","","90","","90","","3079.3","1","293","2","293","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C22 H38 Cl2 N6 Ni2 O11 -","- C22 H34 Cl2 N6 Ni2 O11 -","- C88 H136 Cl8 N24 Ni8 O44 -","4","1","","Elisabetta Berti; Andrea Caneschi; Carole Daiguebonne; Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Ni(II), Cu(II), and Zn(II) Dinuclear Metal Complexes with an Aza-Phenolic Ligand: Crystal Structures, Magnetic Properties, and Solution Studies","Inorganic Chemistry","2003","42","","348","357","10.1021/ic0204070","","","1.5418","CuKα","","0.0439","0.0402","","","0.1083","0.1134","","","","","","0.1097","","","","has coordinates,has disorder","179181","2020-10-21","18:00:00",""
"4315725","8.4365","0.0001","12.5126","0.0002","26.1418","0.0003","90","","90","","90","","2759.6","0.06","150","2","150","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C28 H28 Cl2 Cu N8 O2 -","- C28 H24 Cl2 Cu N8 O2 -","- C112 H96 Cl8 Cu4 N32 O8 -","4","1","","Damijana Urankar; Balazs Pinter; Andrej Pevec; Frank De Proft; Iztok Turel; Janez Košmrlj","Click-Triazole N2 Coordination to Transition-Metal Ions Is Assisted by a Pendant Pyridine Substituent","Inorganic Chemistry","2010","49","","4820","4829","10.1021/ic902354e","","","0.71073","MoKα","","0.0561","0.0427","","","0.0967","0.1041","","","","","","1.012","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4330444","39.388","0.002","8.701","0.0005","18.2535","0.0008","90","","90","","90","","6255.7","0.6","150","2","150","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C26 H42 Cl2 Cu2 N4 O10 -","- C26 H42 Cl2 Cu2 N4 O10 -","- C208 H336 Cl16 Cu16 N32 O80 -","8","2","","Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Carmen Diaz; Ashutosh Ghosh","Insertion of a Hydroxido Bridge into a Diphenoxido Dinuclear Copper(II) Complex: Drastic Change of the Magnetic Property from Strong Antiferromagnetic to Ferromagnetic and Enhancement in the Catecholase Activity","Inorganic Chemistry","2012","51","","10111","10121","10.1021/ic300319s","","","0.71073","MoKα","","0.1274","0.0683","","","0.0911","0.112","","","","","","0.867","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4332532","7.3221","0.0005","9.7525","0.0007","11.8921","0.001","90","","90","","90","","849.2","0.11","123","2","123","2","","","","","","","synthesis as described","3","P 21 c a","P -2ac 2a","29","dcbpa","","","- C10 H9 N3 -","- C10 H9 N3 -","- C40 H36 N12 -","4","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","x-ray","0.71073","MoKα","","0.0671","0.0436","","","0.0787","0.0849","","","","","","1.115","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4335643","8.223","0.0002","9.0751","0.0002","40.322","0.002","90","","90","","90","","3009.01","0.18","150","2","150","2","","","","","","","","8","P 21 c a","P -2ac 2a","29","nalidixicato(dimethylsulfoxide-S)(1,4,7-trithiacyclononane-S,S',S'')ruthenium(II) hexafluorophosphate trihydrate","1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylato-κ^2^O,O)(dimethylsulfoxide-S)(1,4,7-trithiacyclononane-S,S',S'')ruthenium(II) hexafluorophosphate trihydrate","","- C20 H35 F6 N2 O7 P Ru S4 -","- C20 H35 F6 N2 O7 P Ru S4 -","- C80 H140 F24 N8 O28 P4 Ru4 S16 -","4","1","","Jakob Kljun; Ioannis Bratsos; Enzo Alessio; George Psomas; Urška Repnik; Miha Butinar; Boris Turk; Iztok Turel","New Uses for Old Drugs: Attempts to Convert Quinolone Antibacterials into Potential Anticancer Agents Containing Ruthenium","Inorganic Chemistry","2013","52","","9039","9052","10.1021/ic401220x","","","0.71073","MoKα","","0.0294","0.0251","","","0.0524","0.0541","","","","","","1.072","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4343089","13.3647","0.0006","6.533","0.0003","8.1896","0.0003","90","","90","","90","","715.05","0.05","673","","673","","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","","- Ca O3 Te -","- Ca O3 Te -","- Ca8 O24 Te8 -","8","2","","Poupon, Morgane; Barrier, Nicolas; Petit, Sebastien; Clevers, Simon; Dupray, Valerie","Hydrothermal Synthesis and Dehydration of CaTeO3(H2O): An Original Route to Generate New CaTeO3 Polymorphs.","Inorganic chemistry","2015","54","12","5660","5670","10.1021/acs.inorgchem.5b00037","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0405","0.0405","","0.0473","0.0473","","","","1.13","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344374","11.227","","6.79","","21.186","","90","","90","","90","","1615.04","","","","","","","","","","","","","4","P 21 c a","P -2ac 2a","29","","(U O2 S O4)2 (H2 O)7","","- H14 O19 S2 U2 -","- H14 O19 S2 U2 -","- H56 O76 S8 U8 -","4","1","","Zalkin, A.; Ruben, H.; Templeton, D.H.","Structure of a new uranyl sulfate hydrate, alpha(U O2 S O4)2 (H2 O)7","Inorganic Chemistry","1978","17","","3701","3702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7018561","9.747","0.0002","12.712","0.0002","31.126","0.0005","90","","90","","90","","3856.63","0.12","150","2","150","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C39 H33 La N6 O9 -","- C39 H27 La N6 O9 -","- C156 H108 La4 N24 O36 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Renouf, Catherine L.; Richardson, Christopher; Warren, Anna J.; Warren, John E.","Dipyridyl β-diketonate complexes and their use as metalloligands in the formation of mixed-metal coordination networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4153","4163","10.1039/c2dt12115h","","","0.71073","MoKα","","0.0962","0.0485","","","0.0848","0.0998","","","","","","1.035","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7045096","6.1246","0.0005","57.377","0.004","7.2367","0.0004","90","","90","","90","","2543.1","0.3","296","2","296","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.1761","0.1665","","","0.4128","0.4293","","","","","","1.713","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7053869","7.8065","0.0004","16.426","0.0014","12.1222","0.00119","90","","90","","90","","1554.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 21 c a","P -2ac 2a","29","Compound X","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Jiménez-Sánchez, Arturo; Rodríguez, Mario; Métivier, Rémi; Ramos-Ortíz, Gabriel; Maldonado, Jose Luis; Réboles, Netzahualcoyotl; Farfán, Norberto; Nakatani, Keitaro; Santillan, Rosa","Synthesis and crystal structures of a series of Schiff bases: a photo-, solvato- and acidochromic compound","New Journal of Chemistry","2014","38","2","730","","10.1039/c3nj00895a","","x-ray","0.71073","MoKα","","0.0459","0.0369","","","0.0968","0.1046","","","","","","0.968","","","","has coordinates","201910","2020-10-21","18:00:00",""
"7057357","26.5686","0.0017","9.8339","0.0006","11.9828","0.0009","90","","90","","90","","3130.8","0.4","295","2","295","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C96 H96 F32 I16 N16 -","8","2","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0995","0.0797","","","0.2049","0.2319","","","","","","1.106","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7202072","27.1492","0.0011","6.0119","0.0002","7.2935","0.0003","90","","90","","90","","1190.43","0.08","293","2","293","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","1","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.027","","","","0.0454","","","","","","1.032","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7218475","8.9564","0.0003","13.3787","0.0004","23.5539","0.0007","90","","90","","90","","2822.35","0.15","298","2","298","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","(S)-2,2'-bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-1,1'-binaphthalene","","- C32 H12 F8 I2 O2 -","- C32 H12 F8 I2 O2 -","- C128 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0928","0.0433","","","0.0899","0.1089","","","","","","1.021","","","","has coordinates","180515","2020-10-21","18:00:00",""
"9004444","14.337","","16.813","","14.731","","90","","90","","90","","3550.88","","","","","","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","Schoepite","- H18 O21 U4 -","- H18 O21 U4 -","- H144 O168 U32 -","8","2","","Finch, R. J.; Cooper, M. A.; Hawthorne, F. C.; Ewing, R. C.","The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12","The Canadian Mineralogist","1996","34","","1071","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""