# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:07:20+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Coordination Chemistry') 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
"1100142","10.0218","0.0009","9.3216","0.0008","16.2203","0.0013","90","","112.962","0.006","90","","1395.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cl Co Cr2 H20 N6 O8 -","- Cl Co Cr2 H20 N6 O8 -","- Cl4 Co4 Cr8 H80 N24 O32 -","4","1","","Raj Pal Sharma; Ritu Bala; Rajni Sharma; Juan M. Salas; Miguel Quiros","","Journal of Coordination Chemistry","2005","58","","217","223","10.1080/0095897042000327888","","","0.71073","MoKα","","0.0373","0.0326","","0.0949","0.0906","","","","1.072","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100143","12.195","0.0006","9.0317","0.0005","12.6017","0.0007","90","","113.419","0.001","90","","1273.63","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 Co N11 S -","- C5 H16 Co N11 S -","- C20 H64 Co4 N44 S4 -","4","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quiros; Juan M. Salas","","Journal of Coordination Chemistry","2003","56","","1581","1586","10.1080/00958970310001641673","","","0.71073","MoKα","","0.0297","0.0262","","","0.0678","0.0697","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101017","6.3067","0.0004","7.782","0.0005","12.7658","0.0008","100.043","0.001","91.562","0.001","107.339","0.001","586.8","0.06","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H32 Cl2 Co2 N8 O6 S4 -","- C8 H32 Cl2 Co2 N8 O6 S4 -","- C8 H32 Cl2 Co2 N8 O6 S4 -","1","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","","Journal of Coordination Chemistry","2005","58","","1099","1104","10.1080/00958970500138355","","","0.71073","MoKα","","0.0203","0.0199","","","0.0537","0.0539","","","","","","1.082","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101087","54.836","0.008","15.923","0.001","12.299","0.001","90","","94.382","0.009","90","","10707.5","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu F12 N6 P2 -","- C36 H24 Cu F12 N6 P2 -","- C432 H288 Cu12 F144 N72 P24 -","12","1.5","","José M. Seco; María J. González Garmendia; Miguel Quirós","","Journal of Coordination Chemistry","2002","55","","345","351","10.1080/00958970211891","","","","","","","0.0883","","","0.2557","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513064","6.444","0.003","7.527","0.003","17.57","0.008","90.391","0.014","99.196","0.014","97.017","0.014","834.7","0.6","198","2","198","2","","","","","","","","6","P -1","-P 1","2","potassium violurate methanol solvate","","","- C10 H12 K N6 O10 S0 -","- C10 H12 K N6 O10 -","- C20 H24 K2 N12 O20 -","2","1","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.0827","0.0587","","","0.1583","0.1713","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513065","11.296","0.005","11.981","0.004","6.493","0.003","90","","105.347","0.013","90","","847.4","0.6","199","2","199","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium violurate dihydrate","","","- C4 H2 K N3 O6 -","- C4 H6 K N3 O6 -","- C16 H24 K4 N12 O24 -","4","1","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.1134","0.0616","","","0.1276","0.1485","","","","","","0.816","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1513066","18.814","0.004","5.4898","0.001","19.856","0.004","90","","103.984","0.006","90","","1990","0.7","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","potassium 5-sulfosalicylate salt II","","","- C11.2 H6.4 K2.4 N0 O10.4 S1.6 -","- C11.2 H6.4 K2.4 O10.4 S1.6 -","- C56 H32 K12 O52 S8 -","5","1.25","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.1105","0.0908","","","0.2711","0.2812","","","","","","1.496","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513067","7.4067","0.0015","11.291","0.003","27.061","0.006","90","","97.024","0.007","90","","2246.1","0.9","204","2","204","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-sulfosalicylate potassium tetrahydrate","","","- C7 H3 K2 O7.5 S -","- C7 H3 K2 O7.5 S -","- C56 H24 K16 O60 S8 -","8","2","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.0982","0.0708","","","0.1792","0.1958","","","","","","1.088","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1513169","5.229","0.003","10.824","0.007","13.514","0.009","90","","90","","90","","764.9","0.8","206","2","206","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cis-bis(glycinato)Cu(II)","","","- C4 H8 Cu N2 O5 -","- C4 H8 Cu N2 O5 -","- C16 H32 Cu4 N8 O20 -","4","1","","Lamshöft, M.; Ivanova, B.","Review: Protonation and coordination ability of small peptides - theoretical and experimental approaches for elucidation","Journal of Coordination Chemistry","2011","64","14","2419","2442","10.1080/00958972.2011.598926","","","0.71073","MoKα","","0.0993","0.0755","","","0.1779","0.1996","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521641","10.884","","10.884","","10.884","","90","","90","","90","","1289.33","","","","","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","Cd (Cr0.333 Ir0.333 (C N)4) (H2 O)4.333","","- C4 H8.666 Cd Cr0.333 Ir0.333 N4 O4.333 -","- C4.002 Cd Cr0.333 Ir0.333 N4.002 O4.333 -","- C16.008 Cd4 Cr1.332 Ir1.332 N16.008 O17.332 -","4","0.0208333","","Mullica, D.F.; Farmer, J.M.; Kautz, J.A.","X-ray crystallographic investigations and characterizations of three mixed anionic hexacyano complexes","Journal of Coordination Chemistry","1999","48","","449","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521642","10.396","","10.396","","10.396","","90","","90","","90","","1123.57","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Co (Co0.333 Ir0.333 (C N)4) (H2 O)4.333","","- C4 H8.666 Co1.333 Ir0.333 N4 O4.333 -","- C4.002 Co1.333 Ir0.333 N4.002 O4.333 -","- C16.008 Co5.332 Ir1.332 N16.008 O17.332 -","4","0.0208333","","Mullica, D.F.; Farmer, J.M.; Kautz, J.A.","X-ray crystallographic investigations and characterizations of three mixed anionic hexacyano complexes","Journal of Coordination Chemistry","1999","48","","449","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","141855","2020-10-21","18:00:00",""
"1521643","10.455","","10.455","","10.455","","90","","90","","90","","1142.81","","","","","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","Pd (Cr0.333 Ir0.333 (C N)4) (H2 O)4.333","","- C4 H8.666 Cr0.333 Ir0.333 N4 O4.333 Pd -","- C4.002 Cr0.333 Ir0.333 N4.002 O4.333 Pd -","- C16.008 Cr1.332 Ir1.332 N16.008 O17.332 Pd4 -","4","0.0208333","","Mullica, D.F.; Farmer, J.M.; Kautz, J.A.","X-ray crystallographic investigations and characterizations of three mixed anionic hexacyano complexes","Journal of Coordination Chemistry","1999","48","","449","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525674","11.789","","13.855","","21.534","","90","","91.94","","90","","3515.27","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Co ((O H)2 Co (N H3)4)3) (N O3)5 (O H) (H2 O)4","","- Co4 H51 N17 O26 -","- Co4 N17 O26 -","- Co16 N68 O104 -","4","1","","Bernal, I.; Cetrullo, J.; Berhane, S.","The crystal and molecular structures of two derivatives of Werner's hexol cluster cation: (Co ((O H)2 Co (N H3)4)3) (N O3)5 (O H) * 4(H2 O) (I) and (Co ((O H)2 Co (N H3)4)3) (N O3)6 * 2(H2 O) (II)","Journal of Coordination Chemistry","2000","52","","185","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525675","12.858","","12.475","","12.114","","98.06","","96.63","","61.71","","1691.46","","","","","","","","","","","","","4","P -1","-P 1","2","","(Co ((O H)2 Co (N H3)4)3) (N O3)6 (H2 O)2","","- Co4 H46 N18 O26 -","- Co4 N18 O26 -","- Co8 N36 O52 -","2","1","","Bernal, I.; Cetrullo, J.; Berhane, S.","The crystal and molecular structures of two derivatives of Werner's hexol cluster cation: (Co ((O H)2 Co (N H3)4)3) (N O3)5 (O H) * 4(H2 O) (I) and (Co ((O H)2 Co (N H3)4)3) (N O3)6 * 2(H2 O) (II)","Journal of Coordination Chemistry","2000","52","","185","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528614","7.7422","","19.9168","","10.3457","","90","","107.846","","90","","1518.55","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K3 (Fe (C2 O4)3) (H2 O)3","","- C6 H6 Fe K3 O15 -","- C6 H6 Fe K3 O15 -","- C24 H24 Fe4 K12 O60 -","4","1","","Junk, P.C.","Supramolecular interactions in the x-ray crystal structure of potassium tris(oxalato)ferrate(III) trihydrate","Journal of Coordination Chemistry","2005","58","","355","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529220","8.418","0.0008","9.1422","0.0009","10.6741","0.0011","76.07","0.001","84.554","0.001","70.733","0.001","752.55","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[(μ~2~-2-thiobarbiturato-O,S)-(2-thiobarbiturato-O)]-octaaqua-di-calcium","","- C16 H28 Ca2 N8 O16 S4 -","- C16 H28 Ca2 N8 O16 S4 -","- C16 H28 Ca2 N8 O16 S4 -","1","0.5","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.068","0.0405","","","0.0822","0.096","","","","","","1.036","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529221","12.9753","0.0008","7.2255","0.0005","16.4338","0.001","90","","94.883","0.001","90","","1535.13","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-bis(2-thiobarbiturato-O,S)-tetraaqua-strontium","","- C8 H14 N4 O8 S2 Sr -","- C8 H14 N4 O8 S2 Sr -","- C32 H56 N16 O32 S8 Sr4 -","4","1","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.0567","0.0338","","","0.066","0.0729","","","","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529222","12.9805","0.0016","8.4004","0.001","17.069","0.002","90","","90","","90","","1861.2","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-thiobarbiturato-O)-pentaaqua-calcium dihydrate","","- C8 H20 Ca N4 O11 S2 -","- C8 H20 Ca N4 O11 S2 -","- C32 H80 Ca4 N16 O44 S8 -","4","0.5","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.0396","0.0312","","","0.0807","0.0863","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529234","8.5939","0.0002","22.9953","0.0005","10.1832","0.0002","90","","112.838","0.001","90","","1854.64","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-Bis(mu~2~-2-thiobarbiturato-O,O')-(mu~3~-acetato-O,O,O')- diaqua-neodymium(III) dihydrate","","- C10 H17 N4 Nd O10 S2 -","- C10 H17 N4 Nd O10 S2 -","- C40 H68 N16 Nd4 O40 S8 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4","Journal of Coordination Chemistry","2015","68","11","1865","","10.1080/00958972.2015.1031119","","","0.71073","MoKα","","0.0201","0.0181","","","0.0488","0.0498","","","","","","1.044","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529235","4.11991","0.00035","4.22332","0.00038","13.349","0.0012","90","","90","","90","","232.27","0.04","300","","300","","","","","","","","","3","I 2 2 2","I 2 2","23","","Bis(oxoneodymium) Sulfate(VI)","","- Nd2 O6 S -","- Nd2 O6 S -","- Nd4 O12 S2 -","2","0.25","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4","Journal of Coordination Chemistry","2015","68","11","1865","","10.1080/00958972.2015.1031119","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.46","1.207","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1534807","18.408","","8.672","","8.661","","90","","90","","90","","1382.59","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Co (N H3)6) Cl Mo O4 (H2 O)3","","- Cl Co H24 Mo N6 O7 -","- Cl Co H24 Mo N6 O7 -","- Cl4 Co4 H96 Mo4 N24 O28 -","4","0.5","","Sharma, R.P.; Venugopalan, P.; Sharma, R.; Bala, R.","Cationic cobaltammines as anion receptors. Part V. Synthesis, characterization and X-ray structure of [Co (N H3)6] Cl Mo O4 * 3 H2 O","Journal of Coordination Chemistry","2004","57","","1563","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542177","8.023","","17.271","","7.353","","90","","90","","90","","1018.87","","","","","","","","","","","","","5","A m a m","-A 2 2a","63","","Cs2 (Rh Cl5 (H2 O))","","- Cl5 Cs2 H2 O Rh -","- Cl5 Cs2 O Rh -","- Cl20 Cs8 O4 Rh4 -","4","0.25","","Thomas, C.K.; Stanko, J.A.","The crystal structure of cesium aquopentachlororhodate(II)","Journal of Coordination Chemistry","1973","2","","231","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542917","9.3535","0.0004","13.8812","0.0007","16.9106","0.0008","90","","90","","90","","2195.64","0.18","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-calcium","","- C16 H26 Ca N4 O6 S2 -","- C16 H26 Ca N4 O6 S2 -","- C64 H104 Ca4 N16 O24 S8 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0372","0.0295","","","0.081","0.0875","","","","","","1.011","","","","has coordinates,has Fobs","178987","2020-10-21","18:00:00",""
"1542918","9.529","0.0018","14.161","0.003","17.094","0.003","90","","90","","90","","2306.7","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-strontium","","- C16 H26 N4 O6 S2 Sr -","- C16 H26 N4 O6 S2 Sr -","- C64 H104 N16 O24 S8 Sr4 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0663","0.0322","","","0.0711","0.0845","","","","","","0.996","","","","has coordinates,has Fobs","178988","2020-10-21","18:00:00",""
"1544281","10.4177","0.001","10.9492","0.0008","13.6822","0.0011","90","","110.206","0.002","90","","1464.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(mu~4~-2-Thiobarbiturato-O,O',S,S)- (mu~2~-2-Thiobarbiturato-S,S)-tris(mu~2~-aqua)-di-sodium","","- C4 H6 N2 Na O3.5 S -","- C4 H6 N2 Na O3.5 S -","- C32 H48 N16 Na8 O28 S8 -","8","2","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko","Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2016","69","21","3219","3230","10.1080/00958972.2016.1228914","","","0.71073","MoKα","","0.0322","0.0263","","","0.069","0.0724","","","","","","1.051","","","","has coordinates,has Fobs","282761","2023-04-20","06:45:59",""
"1544282","6.7075","0.0006","11.0451","0.001","20.4865","0.0017","90","","90","","90","","1517.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-(mu~4~-2-Thiobarbiturato-O,O',S,S)- (2-Thiobarbiturato-S)-tris(mu~2~-aqua)-aqua-di-sodium","","- C4 H7 N2 Na O4 S -","- C4 H7 N2 Na O4 S -","- C32 H56 N16 Na8 O32 S8 -","8","2","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko","Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2016","69","21","3219","3230","10.1080/00958972.2016.1228914","","","0.71073","MoKα","","0.1074","0.0592","","","0.1091","0.1262","","","","","","0.916","","","","has coordinates,has Fobs","282761","2023-04-20","06:46:01",""
"1546343","7.5017","0.0003","9.5304","0.0012","9.809","0.0006","65.533","0.005","74.971","0.004","83.42","0.005","616.46","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","Catena-bis(mu3-Barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II)","","- C8 H10 Ba N4 O8 -","- C8 H10 Ba N4 O8 -","- C16 H20 Ba2 N8 O16 -","2","1","","L.A. Solovyov; N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov","Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2017","70","12","1984","1993","10.1080/00958972.2017.1319943","powder diffraction","x-ray","1.5406","","","0.014","","","","","","","0.02224","1.13913","","","","","","","has coordinates","197916","2020-10-21","18:00:00",""
"1559906","10.5603","0.0005","10.7805","0.0005","18.3122","0.0008","90","","95.561","0.002","90","","2074.95","0.16","","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ-cyano)-tetracyano-nitrosyl-(3,3'-(piperazine-1,4-diyl) dipropan-1-amine)-iron(ii)-copper(ii)","","- C15 H24 Cu Fe N10 O -","- C15 H24 Cu Fe N10 O -","- C60 H96 Cu4 Fe4 N40 O4 -","4","1","","Smékal, Zdeněk; Maris, Thierry; Korabik, Maria","Structure and magnetic properties of binuclear [Cu(amppz) (μ-NC)Fe(CN)4NO] (amppz = 1,4-bis(3-aminopropyl) piperazine)","Journal of coordination chemistry","2014","67","","3167","3175","10.1080/00958972.2014.962524","","x-ray","1.54178","","","0.0488","0.0433","","","0.1107","0.1144","","","","","","","","","","has coordinates","260378","2021-01-02","17:02:16",""
"9012854","7.0308","","9.8823","","10.6754","","106.973","","104.274","","93.839","","679.756","","","","","","","","","","","","Black Vein, Laurani, Bolivia","7","P -1","-P 1","2","","","Braithwaiteite","- As6 Cu5 H18 Na O34 Sb0.96 Ti1.04 -","- As6 Cu5 H18 Na O34 Sb0.96 Ti1.04 -","- As6 Cu5 H18 Na O34 Sb0.96 Ti1.04 -","1","0.5","","Hawthorne, F. C.; Cooper, M. A.; Paar, W. H.","The crystal structure of braithwaiteite","Journal of Coordination Chemistry","2008","61","","15","29","10.1080/00958970701700961","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""