# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:33:08+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m n 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
"1005004","7.922","0.001","7.239","0.001","6.243","0.001","90","","90","","90","","358","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Niobium(II) iron telluride","","- Fe Nb Te2 -","- Fe Nb Te2 -","- Fe4 Nb4 Te8 -","4","0.5","","Li, J; Badding, M E; DiSalvo, F J","New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)","Inorganic Chemistry","1992","31","","1050","1054","10.1021/ic00032a024","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1510042","4.6","","4.76","","15.45","","90","","90","","90","","338.293","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag3 Tl Te2","","- Ag3 Te2 Tl -","- Ag3 Te2 Tl -","- Ag6 Te4 Tl2 -","2","0.25","","Imamov, R.M.; Avilov, A.S.; Pinsker, Z.G.","Crystal structure of Ag3 Tl Te2","Kristallografiya","1972","17","","281","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1520226","6.4782","0.0013","9.5193","0.0019","14.311","0.003","90","","90","","90","","882.5","0.3","153","2","153","2","","","","","","","","4","P m n a","-P 2ac 2","53","dimethyl melamine hydrochloride","Mela-DM?HCl","","- C5 H11 Cl N6 -","- C5 H11 Cl N6 -","- C20 H44 Cl4 N24 -","4","0.5","","Xu, Jun; Yu, Hongde; Yang, Liulin; Wu, Guanglu; Wang, Zhiqiang; Wang, Dong; Zhang, Xi","Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell-tunable method","Chem. Sci.","2015","6","8","4907","","10.1039/C5SC01631B","","","0.71073","MoKα","","0.0476","0.0355","","","0.092","0.1214","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524480","14.363","","4.488","","7.696","","90","","90","","90","","496.093","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Cu Br Se3","","- Br Cu Se3 -","- Br Cu Se3 -","- Br4 Cu4 Se12 -","4","0.5","","Haendler, H.M.; Carkner, P.M.; Boudreau, S.M.; Boudreau, R.A.","The crystal structure of copper bromide triselenide, Cu Br Se","Journal of Solid State Chemistry","1979","29","","35","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527348","8.104","","3.757","","7.433","","90","","90","","90","","226.311","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Cu Cl2 (H2 O)2","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Engberg, A.","An X-Ray refinement of the crystal structure of copper(II) chloride dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","3510","3526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530590","4.18","","4.5","","12","","90","","90","","90","","225.72","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Tl2 Sb2 Se4","","- Sb2 Se4 Tl2 -","- Sb2 Se4 Tl2 -","- Sb2 Se4 Tl2 -","1","0.125","","Pinsker, Z.G.; Semiletov, S.A.; Belova, E.N.","The electron diffraction determination of the structure of Tl2 Sb2 Se4","Doklady Akademii Nauk SSSR","1956","106","","1003","1006","","","","","","","","","","","","","","","","","","","","","","has coordinates","155723","2020-10-21","18:00:00",""
"1530591","4.15","","4.48","","11.85","","90","","90","","90","","220.315","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Tl2 (Sb1.5 As0.5) Se4","","- As0.5 Sb1.5 Se4 Tl2 -","- As0.5 Sb1.5 Se4 Tl2 -","- As0.5 Sb1.5 Se4 Tl2 -","1","0.125","","Pinsker, Z.G.; Khitrova, V.I.","The structural analysis of some quaternary alloys Tl-Sb-As-Se","Kristallografiya","1956","1","","300","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","155724","2020-10-21","18:00:00",""
"1530592","3.99","","4.43","","11.55","","90","","90","","90","","204.154","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Tl2 (Sb0.5 As1.5) Se4","","- As1.5 Sb0.5 Se4 Tl2 -","- As1.5 Sb0.5 Se4 Tl2 -","- As1.5 Sb0.5 Se4 Tl2 -","1","0.125","","Pinsker, Z.G.; Khitrova, V.I.","The structural analysis of some quaternary alloys Tl-Sb-As-Se","Kristallografiya","1956","1","","300","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","155725","2020-10-21","18:00:00",""
"1532971","4.009","","4.009","","36.672","","90","","90","","90","","589.395","","","","","","","","","","","","","2","P m n a","-P 2ac 2","53","","Fe4 C0.63","","- C0.63 Fe4 -","- C0.625 Fe4 -","- C7.5 Fe48 -","12","1.5","","Nagakura, Sigemaro; Toyoshima, Michiko","Crystal structure and morphology of the ordered phase in iron-carbon martensite","Transactions of the Japan Institute of Metals","1979","20","3","100","110","10.2320/matertrans1960.20.100","","","","","","","","","","","","","","","","","","","","","has coordinates","176270","2020-10-21","18:00:00",""
"1534766","10.098","","7.036","","12.142","","90","","90","","90","","862.683","","","","","","","","","","","","","5","P m n a","-P 2ac 2","53","","Li3 (Rh (N O2)6) (H2 O)4","","- H8 Li3 N6 O16 Rh -","- Li3 N6 O16 Rh -","- Li6 N12 O32 Rh2 -","2","0.25","","Gromilov, S.A.; Baidina, I.A.; Khranenko, S.P.; Alekseev, V.I.; Belyaev, A.V.","Synthesis and crystal structure of Li3 (Rh (N O2)6) .4(H2 O)","Zhurnal Neorganicheskoi Khimii","1994","39","","109","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535970","9.4695","","6.9952","","13.68","","90","","90","","90","","906.178","","","","","","","","","","","","","5","P m n a","-P 2ac 2","53","","Li Eu3 (Si O4) Cl3","","- Cl3 Eu3 Li O4 Si -","- Cl3 Eu3 Li O4 Si -","- Cl12 Eu12 Li4 O16 Si4 -","4","0.5","","Jacobsen, H.; Meyer, G.","Zwei neue Silicat-Chloride mit zweiwertigem Europium: LiEu3(SiO4)Cl3 und Li7Eu8(SiO4)4Cl7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1351","1356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536082","5.9188","","8.0031","","12.433","","90","","90","","90","","588.936","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","(Hg (N H3)2) (Hg Cl3)2","","- Cl6 H6 Hg3 N2 -","- Cl6 Hg3 N2 -","- Cl12 Hg6 N4 -","2","0.25","","Nockemann, P.; Meyer, G.","Zwei Mercuri-Ammin-Komplexe: (Hg (N H3)2) (Hg Cl3)2 und (Hg (N H3)4) (Cl O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","123","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536413","8.013","","11.088","","13.627","","90","","90","","90","","1210.73","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","K3 (P3 O6 S3)","","- K3 O6 P3 S2.5 -","- K3 O6 P3 S3 -","- K24 O48 P24 S24 -","8","1","","Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Pautina, M.S.; Kuvshinova, T.B.; Volf, G.U.","Structure of trithiocyclotriphosphates of potassium and cesium.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","1486","1490","","","","","","","","","","","","","","","","","","","","","","has coordinates","164107","2020-10-21","18:00:00",""
"1539364","8.4308","","6.1189","","12.667","","90","","90","","90","","653.455","","","","","","","","","","","","","5","P m n a","-P 2ac 2","53","","(N H4) Sn Zr F7","","- F7 H4 N Sn Zr -","- F7 H4 N Sn Zr -","- F28 H16 N4 Sn4 Zr4 -","4","0.5","","Tkachenko, I.A.; Gerasimenko, A.V.; Sergienko, V.I.; Merkulov, E.B.; Kavun, V.Ya.; Uvarov, N.F.","Synthesis, structure, internal mobility, and ionic conductivity in N H4 Sn Zr F7 and K Sn Zr F7","Zhurnal Neorganicheskoi Khimii","2004","49","","1322","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539366","8.375","","5.939","","12.468","","90","","90","","90","","620.147","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","K Sn Zr F7","","- F7 K Sn Zr -","- F7 K Sn Zr -","- F28 K4 Sn4 Zr4 -","4","0.5","","Tkachenko, I.A.; Gerasimenko, A.V.; Sergienko, V.I.; Kavun, V.Ya.; Merkulov, E.B.; Uvarov, N.F.","Synthesis, structure, internal mobility, and ionic conductivity in N H4 Sn Zr F7 and K Sn Zr F7","Zhurnal Neorganicheskoi Khimii","2004","49","","1322","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539613","4.6","","4.76","","15.45","","90","","90","","90","","338.293","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag3 Tl Te2","","- Ag3 Te2 Tl -","- Ag3 Te2 Tl -","- Ag6 Te4 Tl2 -","2","0.25","","Avilov, A.S.; Pinsker, Z.G.; Imamov, R.M.","Crystal structure of Ag3 Tl Te2","Soviet Physics, Crystallography (= Kristallografiya)","1972","17","","237","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544601","18.487","0.001","4.6302","0.0003","5.4802","0.0003","90","","90","","90","","469.1","0.05","","","","","","","","","","","","6","P m n a","-P 2ac 2","53","Ca2Al1.84Fe0.16Si3O10(OH)2 prehnite","","ferrian prehnite","- Al1.84 Ca2 Fe0.16 H2 O12 Si3 -","- Al1.84 Ca2 Fe0.16 O12 Si3 -","- Al3.68 Ca4 Fe0.32 O24 Si6 -","2","0.25","","Akasaka, M.; Hashimoto, H.; Makino, K.; Hino, R.","57Fe Mossbauer and X-ray Rietveld studies of ferrian prehnite from Kouragahara, Shimane Peninsula, Japan : Model Pmna","Journal of Mineralogical and Petrological Sciences","2003","98","","31","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","188541","2020-10-21","18:00:00",""
"1557470","7.8412","0.0003","11.0313","0.0005","11.387","0.0004","90","","90","","90","","984.96","0.07","","","298","","","","100","","","","","13","P m n a","-P 2ac 2","53","Y4Al(CO3)2(OH,F)11*6H2O","","Lusernaite-Y","- C2 H22.35 Al1.06 Ca0.05 Dy0.16 Er0.15 F0.65 Gd0.07 O22.35 Pb0.02 Sm0.01 Y3.41 Yb0.09 -","- C2 H8 Al O24 Pb4 Y4 -","- C4 H16 Al2 O48 Pb8 Y8 -","2","0.25","","Biagioni, C.; Bonaccorsi, E.; Camara, F.; Cadoni, M.; Ciriotti, M.E.; Bersani, D.; Kolitsch, U.","Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from Luserna Valley, Piedmont, Italy: Description and crystal structure","American Mineralogist","2013","98","","1322","1329","10.2138/am.4366","","","","","","","","","","","","","","","","","","","","","has coordinates","249063","2020-10-21","18:00:00",""
"1560872","12.909","0.003","8.759","0.0018","8.888","0.0018","90","","90","","90","","1005","0.4","340","2","340","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0667","0.0618","","","0.1699","0.1728","","","","","","1.125","","","","has coordinates,has Fobs","262805","2021-03-06","10:32:35",""
"1560874","12.925","0.003","8.736","0.0017","8.886","0.0018","90","","90","","90","","1003.3","0.4","340","2","340","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0639","0.0612","","","0.1655","0.1673","","","","","","1.121","","","","has coordinates,has Fobs","262807","2021-03-06","10:36:29",""
"1560876","12.969","0.003","8.727","0.0017","8.922","0.0018","90","","90","","90","","1009.8","0.4","350","2","350","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0609","0.0568","","","0.1563","0.1585","","","","","","1.143","","","","has coordinates,has Fobs","262809","2021-03-06","10:39:39",""
"1560879","12.944","0.003","8.716","0.0017","8.916","0.0018","90","","90","","90","","1005.9","0.4","350","2","350","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0506","0.0472","","","0.1315","0.1332","","","","","","1.196","","","","has coordinates,has Fobs","262812","2021-03-06","10:44:33",""
"1560880","12.991","0.003","8.741","0.0017","8.938","0.0018","90","","90","","90","","1014.9","0.4","360","2","360","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0545","0.0507","","","0.1327","0.1347","","","","","","1.162","","","","has coordinates,has Fobs","262813","2021-03-06","10:46:01",""
"1560883","12.958","0.003","8.723","0.0017","8.921","0.0018","90","","90","","90","","1008.4","0.4","360","2","360","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0513","0.0476","","","0.1245","0.1263","","","","","","1.167","","","","has coordinates,has Fobs","262816","2021-03-06","10:51:45",""
"1560884","12.998","0.003","8.743","0.0017","8.944","0.0018","90","","90","","90","","1016.4","0.4","370","2","370","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0508","0.0472","","","0.1262","0.1282","","","","","","1.155","","","","has coordinates,has Fobs","262817","2021-03-06","10:53:36",""
"1560887","12.961","0.003","8.718","0.0017","8.9242","0.0018","90","","90","","90","","1008.4","0.4","370","2","370","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0497","0.0459","","","0.1294","0.1318","","","","","","1.155","","","","has coordinates,has Fobs","262824","2021-03-08","08:16:35",""
"1560888","12.979","0.003","8.75","0.0017","8.924","0.0018","90","","90","","90","","1013.5","0.4","380","2","380","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0447","0.0418","","","0.1122","0.1137","","","","","","1.184","","","","has coordinates,has Fobs","262825","2021-03-08","08:18:30",""
"1560891","12.962","0.003","8.716","0.0017","8.927","0.0018","90","","90","","90","","1008.5","0.4","380","2","380","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0483","0.0454","","","0.1196","0.1213","","","","","","1.182","","","","has coordinates,has Fobs","262828","2021-03-08","08:24:15",""
"1560892","13.003","0.003","8.737","0.0017","8.945","0.0018","90","","90","","90","","1016.2","0.4","390","2","390","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0475","0.0449","","","0.1177","0.1192","","","","","","1.175","","","","has coordinates,has Fobs","262829","2021-03-08","08:26:01",""
"1560894","12.962","0.003","8.71","0.0017","8.927","0.0018","90","","90","","90","","1007.8","0.4","390","2","390","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0448","0.0439","","","0.1086","0.1092","","","","","","1.12","","","","has coordinates,has Fobs","262831","2021-03-08","08:29:49",""
"1560896","12.898","0.003","8.765","0.0018","8.908","0.0018","90","","90","","90","","1007.1","0.4","400","2","400","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0604","0.057","","","0.1594","0.1613","","","","","","1.159","","","","has coordinates,has Fobs","262833","2021-03-08","08:34:15",""
"1560898","12.989","0.003","8.727","0.0017","8.944","0.0018","90","","90","","90","","1013.8","0.4","400","2","400","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0402","0.039","","","0.0975","0.0984","","","","","","1.096","","","","has coordinates,has Fobs","262835","2021-03-08","08:41:16",""
"1560900","13.064","0.003","8.7705","0.0018","8.9925","0.0018","90","","90","","90","","1030.3","0.4","410","2","410","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0373","0.0365","","","0.0938","0.0943","","","","","","1.139","","","","has coordinates,has Fobs","262839","2021-03-08","08:45:48",""
"1560903","13.009","0.003","8.739","0.0017","8.965","0.0018","90","","90","","90","","1019.2","0.4","410","2","410","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0395","0.0386","","","0.1017","0.1023","","","","","","1.171","","","","has coordinates,has Fobs","262842","2021-03-08","08:51:46",""
"1560904","12.988","0.003","8.713","0.0017","8.939","0.0018","90","","90","","90","","1011.6","0.4","420","2","420","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0329","0.0325","","","0.0802","0.0806","","","","","","1.24","","","","has coordinates,has Fobs","262843","2021-03-08","08:54:19",""
"1560907","13.004","0.003","8.726","0.0017","8.951","0.0018","90","","90","","90","","1015.7","0.4","420","2","420","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0322","0.0317","","","0.0848","0.0851","","","","","","1.232","","","","has coordinates,has Fobs","262847","2021-03-08","09:18:42",""
"1560908","13.009","0.003","8.72","0.0017","8.954","0.0018","90","","90","","90","","1015.7","0.4","430","2","430","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0309","0.0307","","","0.0781","0.0784","","","","","","1.185","","","","has coordinates,has Fobs","262849","2021-03-08","09:20:34",""
"1560910","12.98","0.003","8.712","0.0017","8.936","0.0018","90","","90","","90","","1010.5","0.4","430","2","430","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0303","0.0299","","","0.0819","0.0822","","","","","","1.242","","","","has coordinates,has Fobs","262852","2021-03-08","09:24:17",""
"1560913","12.86","0.003","8.782","0.0018","8.9","0.0018","90","","90","","90","","1005.1","0.4","440","2","440","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0377","0.0374","","","0.101","0.1012","","","","","","1.146","","","","has coordinates,has Fobs","262855","2021-03-08","09:29:34",""
"1560915","13.016","0.003","8.722","0.0017","8.969","0.0018","90","","90","","90","","1018.2","0.4","440","2","440","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0284","0.028","","","0.0761","0.0763","","","","","","1.209","","","","has coordinates","262857","2021-03-08","09:32:57",""
"1560917","12.86","0.003","8.788","0.0018","8.907","0.0018","90","","90","","90","","1006.6","0.4","450","2","450","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.035","0.0347","","","0.0973","0.0977","","","","","","1.14","","","","has coordinates,has Fobs","262859","2021-03-08","09:36:33",""
"1560918","13","0.003","8.708","0.0017","8.959","0.0018","90","","90","","90","","1014.2","0.4","450","2","450","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0274","0.0273","","","0.0742","0.0743","","","","","","1.232","","","","has coordinates,has Fobs","262860","2021-03-08","09:38:19",""
"1560921","13","0.003","8.704","0.0017","8.956","0.0018","90","","90","","90","","1013.4","0.4","460","2","460","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0253","0.0252","","","0.0663","0.0664","","","","","","1.225","","","","has coordinates,has Fobs","262864","2021-03-08","09:44:00",""
"1560922","12.98","0.003","8.698","0.0017","8.948","0.0018","90","","90","","90","","1010.2","0.4","460","2","460","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0254","0.0253","","","0.0665","0.0666","","","","","","1.227","","","","has coordinates,has Fobs","262865","2021-03-08","09:45:42",""
"1560924","13.01","0.003","8.703","0.0017","8.96","0.0018","90","","90","","90","","1014.5","0.4","470","2","470","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0249","0.0248","","","0.0674","0.0675","","","","","","1.231","","","","has coordinates,has Fobs","262867","2021-03-08","09:49:11",""
"1560926","12.85","0.003","8.784","0.0018","8.904","0.0018","90","","90","","90","","1005","0.4","470","2","470","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.03","0.0297","","","0.0811","0.0813","","","","","","1.165","","","","has coordinates,has Fobs","262869","2021-03-08","09:53:10",""
"1560928","13","0.003","8.708","0.0017","8.956","0.0018","90","","90","","90","","1013.9","0.4","480","2","480","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0237","0.0234","","","0.0631","0.0633","","","","","","1.243","","","","has coordinates,has Fobs","262871","2021-03-08","09:59:32",""
"1560931","12.878","0.003","8.778","0.0018","8.925","0.0018","90","","90","","90","","1008.9","0.4","480","2","480","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.029","0.0287","","","0.0787","0.0789","","","","","","1.163","","","","has coordinates,has Fobs","262874","2021-03-08","10:06:18",""
"1560966","13.14","0.03","8.84","0.02","9.01","0.02","90","","90","","90","","1047","4","380","2","380","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0783","0.076","","","0.2074","0.2111","","","","","","1.083","","","","has coordinates,has Fobs","262922","2021-03-09","08:58:23",""
"1560968","12.95","0.03","8.806","0.018","8.95","0.02","90","","90","","90","","1021","4","390","2","390","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0788","0.0768","","","0.2048","0.2078","","","","","","1.142","","","","has coordinates,has Fobs","262924","2021-03-09","09:01:15",""
"1560971","12.95","0.019","8.756","0.013","8.99","0.012","90","","90","","90","","1019","3","400","2","400","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0542","0.053","","","0.1401","0.1415","","","","","","1.035","","","","has coordinates,has Fobs","262927","2021-03-09","09:05:31",""
"1560972","12.944","0.016","8.742","0.011","8.987","0.011","90","","90","","90","","1017","2","410","2","410","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.058","0.057","","","0.1435","0.1448","","","","","","1.086","","","","has coordinates,has Fobs","262928","2021-03-09","09:07:20",""
"1560974","12.97","0.05","8.83","0.03","8.88","0.03","90","","90","","90","","1017","6","420","2","420","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0567","0.0533","","","0.1493","0.1527","","","","","","1.107","","","","has coordinates,has Fobs","262930","2021-03-09","09:14:49",""
"1560976","13.107","0.003","8.83","0.002","9.038","0.002","90","","90","","90","","1046","0.4","430","2","430","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0542","0.0515","","","0.1311","0.1335","","","","","","1.151","","","","has coordinates,has Fobs","262932","2021-03-09","09:19:51",""
"1560978","13.08","0.02","8.759","0.017","9.002","0.015","90","","90","","90","","1031","3","440","2","440","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0828","0.0732","","","0.1932","0.198","","","","","","1.101","","","","has coordinates,has Fobs","262934","2021-03-09","09:27:34",""
"1560980","12.98","0.02","8.758","0.015","8.976","0.017","90","","90","","90","","1020","3","450","2","450","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0533","0.0523","","","0.136","0.1378","","","","","","1.126","","","","has coordinates,has Fobs","262936","2021-03-09","09:31:53",""
"1560982","13.028","0.003","8.778","0.003","9.009","0.003","90","","90","","90","","1030.3","0.5","470","2","470","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0402","0.0396","","","0.1022","0.1032","","","","","","1.1","","","","has coordinates,has Fobs","262938","2021-03-09","09:39:23",""
"1561170","7.1333","0.0001","5.8787","0.0001","9.0186","0.0002","90","","90","","90","","378.191","0.012","295","","293","","","","","","","","","3","P m n a","-P 2ac 2","53","manganese oxalate","catena-((μ~6~-oxalato)-(μ~4~-oxalato)-di-manganese)","","- C2 Mn O4 -","- C2 Mn O4 -","- C8 Mn4 O16 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O","Journal of Solid State Chemistry","2018","260","","87","94","10.1016/j.jssc.2018.01.022","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0483","5.02","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"1568587","8.0553","0.0003","3.7295","0.0002","7.3674","0.0003","90","","90","","90","","221.333","0.017","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0134","0.012","","","0.0257","0.0264","","","","","","1.0159","","","","has coordinates","281627","2023-03-05","03:29:23",""
"1568588","8.0405","0.0004","3.7238","0.0002","7.3585","0.0004","90","","90","","90","","220.32","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0133","0.0133","","","0.0329","0.0329","","","","","","1.0526","","","","has coordinates","281627","2023-03-05","03:29:33",""
"2008632","7.184","0.001","8.014","0.002","14.151","0.003","90","","90","","90","","814.7","0.3","173","","173","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 N2 Ti -","- C12 H14 Cl4 N2 Ti -","- C24 H28 Cl8 N4 Ti2 -","2","0.25","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0556","0.0471","","0.1086","0.1062","0.1086","","","1.31","","","1.31","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2010919","7.1766","0.0001","7.8911","0.0001","13.7036","0.0001","90","","90","","90","","776.052","0.016","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 N2 Si -","- C12 H14 Cl4 N2 Si -","- C24 H28 Cl8 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0216","0.0202","","","","0.0579","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010920","7.177","0.001","7.962","0.001","13.557","0.001","90","","90","","90","","774.69","0.16","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br Cl3 N2 Si -","- C12 H14 Br Cl3 N2 Si -","- C24 H28 Br2 Cl6 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0542","0.0402","","","","0.1114","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010921","7.252","0.002","8.12","0.002","13.54","0.003","90","","90","","90","","797.3","0.3","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br2 Cl2 N2 Si -","- C12 H14 Br2 Cl2 N2 Si -","- C24 H28 Br4 Cl4 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0352","0.0272","","","","0.0634","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010922","7.296","0.001","8.211","0.001","13.472","0.001","90","","90","","90","","807.07","0.16","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br3 Cl N2 Si -","- C12 H14 Br3 Cl N2 Si -","- C24 H28 Br6 Cl2 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0343","0.0235","","","","0.0521","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010923","7.3298","0.0002","8.2819","0.0003","13.4126","0.0003","90","","90","","90","","814.21","0.04","143","2","143","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Br4 N2 Si -","- C12 H14 Br4 N2 Si -","- C24 H28 Br8 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0405","0.0277","","","","0.0653","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011552","7.154","0.002","7.933","0.002","13.731","0.003","90","","90","","90","","779.3","0.3","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 Ge N2 -","- C12 H14 Cl4 Ge N2 -","- C24 H28 Cl8 Ge2 N4 -","2","0.25","QA0414","Bolte, Michael; Hensen, Karl; Faber, Alexander","<i>trans</i>-Tetrachlorobis(4-methylpyridine)germanium(IV)","Acta Crystallographica Section C","2000","56","11","e497","e498","10.1107/S0108270100013482","","","0.71073","MoKα","","0.034","0.026","","","","0.062","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011553","7.36","0.001","8.36","0.001","13.561","0.001","90","","90","","90","","834.4","0.16","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Br4 Ge N2 -","- C12 H14 Br4 Ge N2 -","- C24 H28 Br8 Ge2 N4 -","2","0.25","QA0420","Bolte, Michael; Hensen, Karl; Faber, Alexander","Complexes of germanium bromides with 4-picoline and 3,4-lutidine","Acta Crystallographica Section C","2000","56","11","e499","e500","10.1107/S0108270100014153","","","0.71073","MoKα","","0.047","0.028","","","","0.056","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2022954","30.39","0.0018","14.5762","0.0009","14.5141","0.0009","90","","90","","90","","6429.3","0.7","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","Bis(tetrabutylazanium) hexa-μ~4~-hydroxido-dodeca-μ~2~-(4-methylpyrazolato)-<i>hexahedro</i>-octanickel 1,2-dichloroethane 7.196-solvate","","- C94.39 H164.78 Cl14.39 N26 Ni8 O6 -","- C94.392 H164.784 Cl14.392 N26 Ni8 O6 -","- C188.784 H329.568 Cl28.784 N52 Ni16 O12 -","2","0.25","XI2028","Al Isawi, Wisam A.; Zeller, Matthias; Mezei, Gellert","An octanuclear nickel(II) pyrazolate cluster with a cubic Ni8 core and its methyl- and n-octyl-functionalized derivatives","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1199","1206","10.1107/S2056989023010101","","","1.54178","CuKα","","0.084","0.0812","","","0.2524","0.2542","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","287920","2023-12-01","03:11:01",""
"2102526","13.303","0.003","7.835","0.002","18.169","0.004","90","","90","","90","","1893.7","0.8","0","","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","bis((mu!2$-Chloro)-diaqua-(2,4-pentanedione-O,O')-magnesium) diaqua-bis(2,4-pe ntanedione-O,O')-magnesium dichloride","","- C20 H44 Cl6 Mg3 O14 -","- C20 Cl6 Mg3 O14 -","- C40 Cl12 Mg6 O28 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.166","0.129","","","0.4471","0.4726","","","","","","2.65","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2213645","6.5579","0.0011","9.1687","0.0015","24.328","0.004","90","","90","","90","","1462.8","0.4","113","2","113","2","","","","","","","","3","P m n a","-P 2ac 2","53","","1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","0.5","AT2283","Xin-Qiao Liu; Wen-Yuan Gao","1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione","Acta Crystallographica Section E","2007","63","6","o2831","o2831","10.1107/S1600536807021320","","","0.7107","MoKα","","0.06","0.0569","","","0.1362","0.1387","","","","","","1.167","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219773","13.1252","0.0012","8.7991","0.0009","9.0741","0.0009","90","","90","","90","","1047.97","0.18","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","","Cerium(III) ultraphosphate","","- Ce O14 P5 -","- Ce O14 P5 -","- Ce4 O56 P20 -","4","0.5","BI2303","Zhu, Jing; Cheng, Wen-Dan; Zhang, Hao","An orthorhombic polymorph of cerium(III) ultraphosphate, CeP~5~O~14~","Acta Crystallographica Section E","2008","64","11","i74","","10.1107/S1600536808032972","","","0.71073","MoKα","","0.051","0.0475","","","0.092","0.0939","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"4000503","12.8458","0.001","4.6186","0.001","12.5128","0.001","90","","90","","90","","742.38","0.18","293","2","293","","","","","","","","","3","P m n a","-P 2ac 2","53","Trierbiumpentaborate","Trierbiumpentaborate","","- B5 Er3 O12 -","- B5 Er3 O12 -","- B20 Er12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0464","0.0252","","","0.0571","0.0651","","","","","","1.033","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000576","12.82","0.003","4.6019","0.0009","12.477","0.003","90","","90","","90","","736.1","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trituliumpentaborate","Trituliumpentaborate","","- B5 O12 Tm3 -","- B5 O12 Tm3 -","- B20 O48 Tm12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0642","0.0376","","","0.0922","0.1001","","","","","","0.814","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000577","12.774","0.003","4.5864","0.0009","12.451","0.003","90","","90","","90","","729.5","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Triytterbiumpentaborate","Triytterbiumpentaborate","","- B5 O12 Yb3 -","- B5 O12 Yb3 -","- B20 O48 Yb12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.067","0.0445","","","0.0982","0.1084","","","","","","1.182","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000578","12.7651","0.0004","4.575","0.0002","12.4418","0.0004","90","","90","","90","","726.605","0.045","200","2","200","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trilutetiumpentaborate","Trilutetiumpentaborate","","- B5 Lu3 O12 -","- B5 Lu3 O12 -","- B20 Lu12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0566","0.029","","","0.0776","0.085","","","","","","0.957","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4001326","21.881","0.011","7.07","0.003","26.967","0.013","90","","90","","90","","4172","3","294","2","294","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C128 H156 Co12 O114 Zn8 -","- C128 H88 Co12 O114 Zn8 -","- C128 H88 Co12 O114 Zn8 -","1","0.125","","Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.","Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation","Chemistry of Materials","2007","19","9","2162","","10.1021/cm062801s","","","0.71073","MoKα","","0.1479","0.126","","","0.2851","0.2947","","","","","","1.319","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4027807","14.935","","4.589","","8.254","","90","","90","","90","","565.702","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag Se3 I","","- Ag I Se3 -","- Ag I Se3 -","- Ag4 I4 Se12 -","4","0.5","","Deiseroth, H.J.; Neumann, E.; Wagener, M.","(Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the ""solid solvent"" Ag I","European Journal of Inorganic Chemistry","2004","2004","","4755","4758","10.1002/ejic.200400550","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027808","16.23","","4.696","","8.805","","90","","90","","90","","671.083","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag Te3 I","","- Ag I Te3 -","- Ag I Te3 -","- Ag4 I4 Te12 -","4","0.5","","Wagener, M.; Neumann, E.; Deiseroth, H.J.","(Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the ""solid solvent"" Ag I","European Journal of Inorganic Chemistry","2004","2004","","4755","4758","10.1002/ejic.200400550","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4031568","8.917","","3.7761","","8.639","","90","","90","","90","","290.888","","","","","","","","","","","","","2","P m n a","-P 2ac 2","53","","(N H4) N3","","- H4 N4 -","- H4 N4 -","- H16 N16 -","4","0.5","","Lerner, H.W.; Bolte, M.; Wiberg, N.","Silatetrazoline: Eigenschaften und Strukturen cyclischer thermostabiler Tetrazenderivate","Journal of Organometallic Chemistry","2002","649","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","161308","2020-10-21","18:00:00",""
"4102830","10.727","0.001","9.2844","0.0007","14.794","0.001","90","","90","","90","","1473.4","0.2","295","2","295","","","","","","","","By decomposition of Ba~8~Ge~43~ at 400 \%C","2","P m n a","-P 2ac 2","53","","","","- Ba Ge5 -","- Ba Ge5 -","- Ba10 Ge50 -","10","1.25","","Umut Aydemir; Lev Akselrud; Wilder Carrillo-Cabrera; Christophe Candolfi; Niels Oeschler; Michael Baitinger; Frank Steglich; Yuri Grin","BaGe5: A New Type of Intermetallic Clathrate","Journal of the American Chemical Society","2010","132","","10984","10985","10.1021/ja104197c","powder diffraction","","0.35415","synchrotron","","","","","","","","","0.066","1.7","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4124012","12.46","","7.161","","9.171","","90","","90","","90","","818.292","","","","","","","","","","","","","7","P m n a","-P 2ac 2","53","","Na K3 Mo O2 (C N)4 (H2 O)6","","- C4 H12 K3 Mo N4 Na O8 -","- C4 K3 Mo N4 Na O8 -","- C8 K6 Mo2 N8 Na2 O16 -","2","0.25","","Day, V.W.; Hoard, J.L.","The Structure of the trans-Dioxotetracyanomolybdate(IV) Ion in the Crystalline Salt Na K3 Mo O2 (C N)4 (H2 O)6","Journal of the American Chemical Society","1968","90","","3374","3379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4130017","6.70122","0.00007","5.11854","0.00005","11.63508","0.0001","90","","90","","90","","399.089","0.007","100","0.5","100","0.5","","","","","","","from Jamie L. Manson","5","P m n a","-P 2ac 2","53","","catena-(bis(μ~2~-pyrazine-N,N')-bis(nitrato-O,O')-copper(ii))","","- C4 H4 Cu N4 O6 -","- C4 H4 Cu N4 O6 -","- C8 H8 Cu2 N8 O12 -","2","0.25","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","","0.7107","MoKα","","0.012","0.009","","","","0.026","","","","","","0.832","","","","has coordinates","240611","2020-10-21","18:00:00",""
"4302741","6.495","0.002","9.598","0.003","13.443","0.005","90","","90","","90","","838","0.5","173","2","173","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cu Ga2 O10 Se3 -","- Cu Ga2 O10 Se3 -","- Cu4 Ga8 O40 Se12 -","4","0.5","","Fang Kong; Qi-Pu Lin; Fei-Yan Yi; Jiang-Gao Mao","Explorations of New Phases in the GaIII/InIII-CuII-SeIV-O System","Inorganic Chemistry","2009","48","","6794","6803","10.1021/ic900756u","","","0.71073","MoKα","","0.0256","0.0213","","","0.0583","0.0604","","","","","","1.046","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4304941","7.101","0.002","3.8416","0.0011","20.57","0.006","90","","90","","90","","561.1","0.3","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C4 H3.1 F0.3 O4.1 V -","- C4 H2.7 F0.3 O4.1 V -","- C16 H10.8 F1.2 O16.4 V4 -","4","0.5","","Marie Vougo-Zanda; Ekaterina V. Anokhina; Selma Duhovic; Lumei Liu; Xiqu Wang; Oluwakemi A. Oloba; Thomas A. Albright; Allan J. Jacobson","Octahedral Tilting in MM'X4 Metal-Oxide Organic Layer Structures","Inorganic Chemistry","2008","47","","4746","4751","10.1021/ic8000448","","","0.71073","MoKα","","0.0298","0.029","","","0.0909","0.0912","","","","","","1.25","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314828","6.69166","0.00012","5.10538","0.00008","11.60022","0.00018","90","","90","","90","","396.304","0.011","","","","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C4 H4 Cu N4 O6 -","- C4 H4 Cu N4 O6 -","- C8 H8 Cu2 N8 O12 -","2","0.25","","J. Jornet-Somoza; M. Deumal; M. A. Robb; C. P. Landee; M. M. Turnbull; R. Feyerherm; J. J. Novoa","First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S=1/2 Antiferromagnetic Crystal","Inorganic Chemistry","2010","49","","1750","1760","10.1021/ic902139h","","","","","","","","","","","","","","","","","","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4315502","26.271","0.004","8.9909","0.0012","6.4018","0.0009","90","","90","","90","","1512.1","0.4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C17 H8 Co F4 N2 O3 -","- C17 H8 Co F4 N2 O3 -","- C68 H32 Co4 F16 N8 O12 -","4","0.5","","Zeric Hulvey; Brent C. Melot; Anthony K. Cheetham","Structure and Magnetic Field-Induced Transition in a One-Dimensional Hybrid Inorganic-Organic Chain System, Co2(4,4'-bpy)(tfhba)2.4,4'-bpy (4,4'-bpy = 4,4'-Bipyridine; tfhba = 2,3,5,6-Tetrafluoro-4-hydroxybenzoate)","Inorganic Chemistry","2010","49","","4594","4598","10.1021/ic100164k","","","0.71073","MoKα","","0.1077","0.0586","","","0.1231","0.1402","","","","","","0.909","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315503","26.376","0.003","8.9842","0.001","6.3964","0.0007","90","","90","","90","","1515.7","0.3","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C17 H8 F4 N2 O3 Zn -","- C17 H8 F4 N2 O3 Zn -","- C68 H32 F16 N8 O12 Zn4 -","4","0.5","","Zeric Hulvey; Brent C. Melot; Anthony K. Cheetham","Structure and Magnetic Field-Induced Transition in a One-Dimensional Hybrid Inorganic-Organic Chain System, Co2(4,4'-bpy)(tfhba)2.4,4'-bpy (4,4'-bpy = 4,4'-Bipyridine; tfhba = 2,3,5,6-Tetrafluoro-4-hydroxybenzoate)","Inorganic Chemistry","2010","49","","4594","4598","10.1021/ic100164k","","","0.71073","MoKα","","0.0772","0.0459","","","0.1032","0.1126","","","","","","0.912","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4320864","11.183","0.011","9.198","0.009","10.028","0.009","90","","90","","90","","1031.5","1.7","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","potassium dicyano-octa-μ3-sulfido-tetrasulfido-octahedro- hexarhenate(III)","","- C2 K4 N2 Re6 S10 -","- C2 K4 N2 Re6 S10 -","- C4 K8 N4 Re12 S20 -","2","0.25","","Yuri V. Mironov; Vladimir E. Fedorov; Craig C. McLauchlan; James A. Ibers","Layered K4[Re6S10(CN)2] and Chainlike K4[Re6Se10(CN)4]: New Types of Chalcocyanide Cluster Compounds with Bridging Chalcogenide Ligands","Inorganic Chemistry","2000","39","","1809","1811","10.1021/ic990936c","","","0.7093","MoKα","","0.1019","0.0522","","","0.1","0.1138","","","","","","1.088","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4322472","7.212","0.005","5.452","0.003","10.696","0.003","90","","90","","90","","420.6","0.4","288.2","","288.2","","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- C4 Cu N3 -","- C6 Cu0.25 N5 -","- C12 Cu0.5 N10 -","2","0.25","","H. Hoshino; K. Iida; T. Kawamoto; T. Mori","Structural and Magnetic Properties of Cu[C(CN)3]2 and Mn[C(CN)3]2","Inorganic Chemistry","1999","38","","4229","4232","10.1021/ic990336d","","","0.7107","MoKα","","","0.092","","","","0.114","","","","","","3.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322473","7.742","0.005","5.411","0.006","10.561","0.006","90","","90","","90","","442.4","0.6","288.2","","288.2","","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- C8 Mn N6 -","- C6 Mn0.25 N5 -","- C12 Mn0.5 N10 -","2","0.25","","H. Hoshino; K. Iida; T. Kawamoto; T. Mori","Structural and Magnetic Properties of Cu[C(CN)3]2 and Mn[C(CN)3]2","Inorganic Chemistry","1999","38","","4229","4232","10.1021/ic990336d","","","0.7107","MoKα","","","0.065","","","","0.083","","","","","","0.6","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4344951","13.0471","0.001","13.5581","0.0015","9.3478","0.0012","90","","90","","90","","1653.6","0.3","400","2","400","2","","","","","","","","5","P m n a","-P 2ac 2","53","Diguanidinium Tin Iodide","","","- C2 H12 I4 N6 Sn -","- C2 H12 I4 N6 Sn -","- C8 H48 I16 N24 Sn4 -","4","0.5","","Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.","Inorganic chemistry","2017","56","1","56","73","10.1021/acs.inorgchem.6b02764","","","0.71073","MoKα","","0.1414","0.0509","","","0.1238","0.1491","","","","","","0.928","","","","has coordinates","191346","2020-10-21","18:00:00",""
"4349104","7.2842","0.0002","6.9449","0.0002","14.4255","0.0005","90","","90","","90","","729.76","0.04","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Ni -","- C12 H6 F2 Fe N8 Ni -","- C24 H12 F4 Fe2 N16 Ni2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0551","0.0482","","","0.1022","0.1069","","","","","","0.97","","","","has coordinates","233580","2020-10-21","18:00:00",""
"4349105","7.2572","0.0003","6.9861","0.0003","14.9922","0.0006","90","","90","","90","","760.1","0.05","120","1","120","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pt -","- C12 H6 F2 Fe N8 Pt -","- C24 H12 F4 Fe2 N16 Pt2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0318","0.02","","","0.0449","0.0509","","","","","","0.951","","","","has coordinates","233581","2020-10-21","18:00:00",""
"4349113","7.4534","0.0004","7.1275","0.0004","15.0455","0.001","90","","90","","90","","799.28","0.08","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pt -","- C12 H6 F2 Fe N8 Pt -","- C24 H12 F4 Fe2 N16 Pt2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0319","0.0242","","","0.0459","0.0493","","","","","","1.088","","","","has coordinates","233585","2020-10-21","18:00:00",""
"4349114","7.4526","0.0005","7.1125","0.0004","14.777","0.0011","90","","90","","90","","783.28","0.09","200","1","200","1","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pd -","- C12 H6 F2 Fe N8 Pd -","- C24 H12 F4 Fe2 N16 Pd2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0496","0.0349","","","0.0533","0.0578","","","","","","1.178","","","","has coordinates","233587","2020-10-21","18:00:00",""
"4349117","7.2646","0.0002","6.9726","0.0003","14.7703","0.0005","90","","90","","90","","748.16","0.05","98.5","0.3","98.5","0.3","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H6 F2 Fe N8 Pd -","- C12 H6 F2 Fe N8 Pd -","- C24 H12 F4 Fe2 N16 Pd2 -","2","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0564","0.0346","","","0.0591","0.0683","","","","","","0.975","","","","has coordinates","233592","2020-10-21","18:00:00",""
"4504387","13.903","0.005","7.959","0.005","14.655","0.005","90","0.005","90","","90","","1621.6","1.3","84","2","84","2","","","","","","","","4","P m n a","-P 2ac 2","53","(H4TETA)(Hfum)4 3.3 (H2O)","","","- C22 H40.6 N4 O19.3 -","- C22 H38 N4 O18 -","- C44 H76 N8 O36 -","2","0.25","","Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S.","Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies†","Crystal Growth & Design","2007","7","9","1844","","10.1021/cg0704549","","","0.71073","MoKα","","0.0725","0.0668","","","0.1482","0.1517","","","","","","1.143","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4512306","22.315","0.003","3.8413","0.0004","19.598","0.003","90","","90","","90","","1679.9","0.4","296","","296","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 Cl2 N O2 -","- C7 H4 Cl2 N O2 -","- C56 H32 Cl16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.041","","","","0.1152","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512307","22.252","0.002","3.7729","0.0003","19.6529","0.0017","90","","90","","90","","1650","0.2","160","","160","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 Cl2 N O2 -","- C7 H4 Cl2 N O2 -","- C56 H32 Cl16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0527","","","","0.1497","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512308","22.7032","0.0011","4.1824","0.0002","19.5101","0.0008","90","","90","","90","","1852.56","0.15","296","","296","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 I2 N O2 -","- C7 H4 I2 N O2 -","- C56 H32 I16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0254","","","","0.0547","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512309","22.5957","0.0007","4.1172","0.0001","19.4964","0.0005","90","","90","","90","","1813.77","0.09","110","","110","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 I2 N O2 -","- C7 H4 I2 N O2 -","- C56 H32 I16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0189","","","","0.0413","","","","","","1.263","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4514422","8.9331","0.001","3.7824","0.0004","8.6519","0.001","90","","90","","90","","292.34","0.06","173","2","173","2","","","","","","","","2","P m n a","-P 2ac 2","53","","","","- H4 N4 -","- H4 N4 -","- H16 N16 -","4","0.5","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","0.71073","MoKα","","0.0284","0.0261","","","0.0714","0.0748","","","","","","1.179","","","","has coordinates","270074","2021-10-24","17:53:43",""
"7017048","7.2233","0.0003","11.417","0.0004","20.3946","0.0008","90","","90","","90","","1681.91","0.11","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H17 Mn N4 O7 -","- C12 H13 Mn N4 O7 -","- C48 H52 Mn4 N16 O28 -","4","0.5","","Wang, Yan-Qin; Sun, Qian; Yue, Qi; Cheng, Ai-Ling; Song, You; Gao, En-Qing","Manganese(ii)-carboxylate-pseudohalide systems derived from 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10966","10974","10.1039/c1dt10977d","","","0.71073","MoKα","","0.0576","0.0384","","","0.1111","0.1293","","","","","","1.162","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7021234","31.955","0.004","20.421","0.003","20.421","","90","","90","","90","","13326","3","100","2","100","2","","","","","","","","5","P m n a","-P 2ac 2","53","u20p","","","- C20 K18 O179 P20 U20 -","- C20 K18 O179 P20 U20 -","- C40 K36 O358 P40 U40 -","2","0.25","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.132","0.0775","","","0.2114","0.243","","","","","","1.046","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7025262","31.371","0.006","18.99","0.004","12.262","0.003","90","","90","","90","","7305","3","291","2","291","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C63 H60 F18 N15 P3 Pd3 -","- C63 H60 F18 N15 P3 Pd3 -","- C252 H240 F72 N60 P12 Pd12 -","4","0.5","","Ning, Guo-Hong; Xie, Ting-Zheng; Pan, Yuan-Jiang; Li, Yi-Zhi; Yu, Shu-Yan","Self-assembly of bowl-like trinuclear metallo-macrocycles.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3203","3211","10.1039/b926138a","","","0.71073","MoKα","","0.0768","0.0564","","","0.1283","0.1337","","","","","","1.067","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7114243","7.3093","0.0004","7.135","0.0004","14.9713","0.0009","90","","90","","90","","780.78","0.08","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- Ce2 H8 Na4.8 O34 Si12 -","- Ce2 Na4.8 O34 Si12 -","- Ce2 Na4.8 O34 Si12 -","1","0.125","","Jeong, Hae-Kwon; Chandrasekaran, Annamalai; Tsapatsis, Michael","Synthesis of a new open framework cerium silicate and its structure determination by single crystal X-ray diffractionElectronic supplementary information (ESI) available: powder XRD patterns, TG data. See http://www.rsc.org/suppdata/cc/b2/b206738m/","Chemical Communications","2002","","20","2398","","10.1039/b206738m","","","0.71073","MoKα","","0.0566","0.0473","","","0.1201","0.1241","","","","","","1.212","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117144","19.7928","0.0016","17.7591","0.0014","28.543","0.002","90","","90","","90","","10032.9","1.3","273","2","273","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C147 H182 N14 O56 Zn6 -","- C105 H80 O42 Zn6 -","- C210 H160 O84 Zn12 -","2","0.25","","Fei-Yan Yi; Hai-Long Jiang; Zhong-Ming Sun","Linearly bridging CO2 in a metal-organic framework","Chem.Commun.","2015","51","","8446","","10.1039/C5cc01244A","","","0.71073","MoKα","","0.1025","0.0538","","","0.1288","0.1377","","","","","","0.953","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7120238","8.54221","0.00016","4.66794","0.00009","23.7131","0.0004","90","","90","","90","","945.55","0.03","293","","293","","","","","","","","","3","P m n a","-P 2ac 2","53","bismuth gallate","bismuth subgallate","bismuth subgallate","- C7 Bi O8 -","- C7 Bi O8 -","- C28 Bi4 O32 -","4","0.5","","Wang, Yunchen; Takki, Sofia; Cheung, Ocean; Xu, Hong-Yi; Wan, Wei; Öhrström, Lars R.; Inge, Andrew Ken","Elucidation of the Elusive Structure and Formula of the Active Pharmaceutical Ingredient Bismuth Subgallate by Continuous Rotation Electron Diffraction","Chem. Commun.","2017","","","","","10.1039/C7CC03180G","powder diffraction","","1.5406","CuKα1","","","","","","","","","0.06256","1.748","","","","","","","has coordinates","197633","2020-10-21","18:00:00",""
"7122467","6.3484","0.0004","8.1538","0.0006","18.6895","0.0012","90","","90","","90","","967.44","0.11","225","","225","","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.25","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.091","0.0794","","","0.1721","0.1776","","","","","","1.268","","","","has coordinates,has disorder","228471","2020-10-21","18:00:00",""
"7122470","6.3929","0.0004","8.1734","0.0006","18.6898","0.0012","90","","90","","90","","976.57","0.11","298","","298","","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.25","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0921","0.0699","","","0.1933","0.2161","","","","","","1.165","","","","has coordinates,has disorder","228471","2020-10-21","18:00:00",""
"7122471","6.3632","0.0004","8.1603","0.0006","18.6843","0.0012","90","","90","","90","","970.19","0.11","250","","250","","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.25","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0886","0.0718","","","0.1881","0.2015","","","","","","1.276","","","","has coordinates,has disorder","228471","2020-10-21","18:00:00",""
"7126947","11.5092","0.0014","10.5574","0.0012","35.527","0.004","90","","90","","90","","4316.8","0.9","120","2","120","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C31 H23 Cl2 F12 Fe N7 P2 -","- C31 H23 Cl2 F12 Fe N7 P2 -","- C124 H92 Cl8 F48 Fe4 N28 P8 -","4","0.5","","Fujisaki, Hiroto; Ishizuka, Tomoya; Shimoyama, Yoshihiro; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Selective catalytic 2e<sup>-</sup>-oxidation of organic substrates by an Fe<sup>II</sup> complex having an N-heterocyclic carbene ligand in water.","Chemical communications (Cambridge, England)","2020","56","68","9783","9786","10.1039/d0cc03289a","","","0.71073","MoKα","","0.0886","0.0687","","","0.1305","0.1375","","","","","","1.126","","","","has coordinates","256020","2020-10-21","18:00:00",""
"7128193","27.106","0.006","15.46","0.003","46.953","0.01","90","","90","","90","","19676","7","293","2","293","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C170 H262 O91 Sn18 -","- C170 H228 O74 Sn18 -","- C340 H456 O148 Sn36 -","2","0.25","","Zhu, Yu; Li, Qiaohong; Li, Dongsheng; Zhang, Jian; Zhang, Lei","Functional ligand directed assembly and electronic structure of Sn<sub>18</sub>-oxo wheel nanoclusters.","Chemical communications (Cambridge, England)","2021","57","42","5159","5162","10.1039/d1cc00651g","","","0.71073","MoKα","","0.0871","0.0687","","","0.1977","0.2155","","","","","","1.096","","","","has coordinates,has disorder","265863","2021-06-05","17:24:58",""
"7128762","21.678","0.006","13.712","0.004","15.918","0.005","90","","90","","90","","4732","2","296.15","","296.15","","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C34 H28 Cl Mn2 N13 O8 S2 -","- C34 H28 Cl Mn2 N13 O8 S2 -","- C136 H112 Cl4 Mn8 N52 O32 S8 -","4","0.5","","Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian","A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.","Chemical communications (Cambridge, England)","2021","57","71","8937","8940","10.1039/d1cc03431f","","","0.71073","MoKα","","0.1537","0.1289","","","0.2663","0.2821","","","","","","1.066","","","","has coordinates,has disorder","269654","2021-10-06","13:59:43",""
"7128763","22.1875","0.0012","13.4774","0.0007","15.9045","0.0009","90","","90","","90","","4755.9","0.4","296.15","","296.15","","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C34 H30 Co2 N13 O9 S2 -","- C34 H30 Co2 N13 O9 S2 -","- C136 H120 Co8 N52 O36 S8 -","4","0.5","","Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian","A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.","Chemical communications (Cambridge, England)","2021","57","71","8937","8940","10.1039/d1cc03431f","","","0.71073","MoKα","","0.0886","0.0602","","","0.1626","0.1829","","","","","","1.033","","","","has coordinates,has disorder","269654","2021-10-06","13:59:47",""
"7128764","22.29","0.02","13.477","0.012","15.919","0.016","90","","90","","90","","4782","8","296.15","","296.15","","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C34 H30 Co Mn N13 O9 S2 -","- C34 H30 Co Mn N13 O9 S2 -","- C136 H120 Co4 Mn4 N52 O36 S8 -","4","0.5","","Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian","A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.","Chemical communications (Cambridge, England)","2021","57","71","8937","8940","10.1039/d1cc03431f","","","0.71073","MoKα","","0.1198","0.0778","","","0.2087","0.248","","","","","","1.015","","","","has coordinates,has disorder","269654","2021-10-06","13:59:58",""
"7130475","9.9196","0.0002","6.44705","0.00016","8.1105","0.0002","90","","90","","90","","518.68","0.02","293","2","293","2","","","","","","","","4","P m n a","-P 2ac 2","53","5-AtP","5-aminotetrazole-peroxosolvate","","- C H5 N5 O2 -","- C H5 N5 O2 -","- C4 H20 N20 O8 -","4","0.5","","Bellas, Michael K.; Matzger, Adam J.","Peroxosolvate discovery method leads to first cocrystal with three energetic components.","Chemical communications (Cambridge, England)","2022","58","63","8806","8809","10.1039/d2cc02024f","","","1.54184","CuKα","","0.0364","0.0341","","","0.0977","0.1003","","","","","","1.115","","","","has coordinates,has disorder","277070","2022-08-04","21:54:43",""
"7201238","7.1097","0.0004","6.5049","0.0009","32.691","0.003","90","","90","","90","","1511.9","0.3","295","2","295","2","","","","","","","synthesis as described","6","P m n a","-P 2ac 2","53","","","","- C22 H22 Br N2 O2 S12 -","- C22 H22 Br N2 O2 S12 -","- C44 H44 Br2 N4 O4 S24 -","2","0.25","","Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick","Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6","Journal of Materials Chemistry","2009","19","38","6980","","10.1039/b906287d","","","0.71073","MoKα","","0.0767","0.0331","","","0.0599","0.0676","","","","","","1.002","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7209097","32.122","0.017","15.681","0.008","7.105","0.004","90","","90","","90","","3579","3","105","2","105","2","","","","","","","","4","P m n a","-P 2ac 2","53","","2,2'-Bipyridine-5,5'-dicarboxylate.Bis(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a] pyrimidinium)","","- C13 H21 N4 O6.708 -","- C13 H21 N4 O6.71 -","- C104 H168 N32 O53.68 -","8","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.1259","0.0632","","","0.1614","0.1995","","","","","","1.008","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7210065","23.8498","0.0006","14.573","0.0003","15.4775","0.0004","90","","90","","90","","5379.4","0.2","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C78 H146 Mn Mo6 N7 O32 -","- C57 H14 Mn Mo6 N6.6 O32 -","- C114 H28 Mn2 Mo12 N13.2 O64 -","2","0.25","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0812","0.0672","","","0.2065","0.2248","","","","","","1.086","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210946","13.5994","0.0005","9.9972","0.0005","14.0444","0.0007","90","","90","","90","","1909.42","0.15","298","2","298","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C17 H16 Ag F6 N2 O3 P -","- C17 H16 Ag F6 N2 O3 P -","- C68 H64 Ag4 F24 N8 O12 P4 -","4","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0572","0.0505","","","0.1682","0.1744","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218308","15.8723","0.0008","12.1103","0.0006","14.8539","0.0007","90","","90","","90","","2855.2","0.2","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1229","0.075","","","0.1865","0.2242","","","","","","1.053","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7221096","15.54166","","3.90558","","7.9773","","90","","90","","90","","484.216","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Nd2 Ba2 Fe4 O11","","- Ba2 Fe4 Nd2 O11 -","- Ba2 Fe4 Nd2 O11 -","- Ba4 Fe8 Nd4 O22 -","2","0.25","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","141179","2020-10-21","18:00:00",""
"7221097","15.47744","","3.89602","","7.96825","","90","","90","","90","","480.489","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Sm2 Ba2 Fe4 O11","","- Ba2 Fe4 O11 Sm2 -","- Ba2 Fe4 O11 Sm2 -","- Ba4 Fe8 O22 Sm4 -","2","0.25","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","141180","2020-10-21","18:00:00",""
"7222773","8.8978","","3.8067","","8.6735","","90","","90","","90","","293.782","","","","","","","","","","","","","2","P m n a","-P 2ac 2","53","","(N H4) (N3)","","- H4 N4 -","- H4 N4 -","- H16 N16 -","4","0.5","","Reckeweg, O.; Simon, A.","Azide und Cyanamide - aehnlich und doch anders","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1097","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","164883","2020-10-21","18:00:00",""
"7225417","25.508","0.017","10.756","0.007","14.224","0.009","90","","90","","90","","3903","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl3 N25 O21 Pr2 -","- C40 H44 Cl3 N25 O21 Pr2 -","- C80 H88 Cl6 N50 O42 Pr4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1043","0.0581","","","0.1643","0.2063","","","","","","0.949","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225420","25.819","0.015","10.779","0.006","14.304","0.008","90","","90","","90","","3981","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H46 Cl2 N26 Nd2 O30 -","- C40 H46 Cl2 N26 Nd2 O30.008 -","- C80 H92 Cl4 N52 Nd4 O60.016 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1303","0.0894","","","0.281","0.3194","","","","","","1.071","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225423","25.712","0.009","10.726","0.004","14.392","0.005","90","","90","","90","","3969","2","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl2 N26 O29 Sm2 -","- C40 H44 Cl2 N26 O29 Sm2 -","- C80 H88 Cl4 N52 O58 Sm4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0841","0.0665","","","0.2009","0.2159","","","","","","1.056","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7226939","27.2662","0.0006","11.5396","0.0003","13.9678","0.0003","90","","90","","90","","4394.84","0.18","220","2","220","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C15 H8 Ni0.75 O6.75 -","- C15 H8 Ni0.75 O6.765 -","- C120 H64 Ni6 O54.12 -","8","1","","Zhou, Zhen; Yang, Lu; Wang, Yefei; He, Cheng; liu, tao; Duan, Chunying","Construction of Solvent-dependent Self-assembly Porous Ni(II)-Coordinated Frameworks Effectively Catalysis for Chemical Transformation of CO2","RSC Adv.","2016","","","","","10.1039/C6RA22971A","","","0.71073","MoKα","","0.1003","0.0921","","","0.2896","0.2963","","","","","","1.147","","","","has coordinates","187591","2020-10-21","18:00:00",""
"7233842","7.909","0.003","17.113","0.006","8.049","0.003","90","","90","","90","","1089.4","0.7","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C H8 Cl N3 O -","- C H8 Cl N3 O -","- C8 H64 Cl8 N24 O8 -","8","1","","Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie","CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups","CrystEngComm","2019","21","40","6072","","10.1039/C9CE01350D","","","0.71073","MoKα","","","0.0448","","","0.1213","0.1396","","","","","","1.049","","","","has coordinates","223630","2020-10-21","18:00:00",""
"7237248","32.741","0.004","7.797","0.003","8.763","0.003","90","","90","","90","","2237","1.2","173","","173","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C34 H18 N2 O14 Sc2 -","- C34 H18 N2 O14 Sc2 -","- C68 H36 N4 O28 Sc4 -","2","0.25","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","1.54184","CuKα","","0.2885","0.1479","","","0.3396","0.4332","","","","","","0.968","","","","has coordinates","237520","2020-10-21","18:00:00",""
"7244700","42.6882","0.0013","14.5716","0.0006","26.9781","0.0012","90","","90","","90","","16781.3","1.1","122.99","0.11","122.99","0.11","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C44 H44.73 Cu2.4 N4 O16.8 -","- C44 H44.5667 Cu2.4 N4 O16.8 -","- C528 H534.8 Cu28.8 N48 O201.6 -","12","1.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","CuKα","","0.2532","0.1797","","","0.4363","0.4904","","","","","","1.488","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7705993","7.136","0.0014","5.891","0.0012","9.029","0.0018","90","","90","","90","","379.56","0.13","293","2","293","2","","","","","","","","4","P m n a","-P 2ac 2","53","","manganese (II) oxalate half water","","- C4 H2 Mn2 O9 -","- C4 H2 Mn2 O9 -","- C8 H4 Mn4 O18 -","2","0.25","","Wu, Wen-Yuan; Tang, Tie-Huan; Li, Yi; Xu, Shuang","Versatile oxalato-bridging modes: a novel three-dimensional framework structure of manganese(ii) oxalate complex [MnC<sub>2</sub>O<sub>4</sub>]·0.5H<sub>2</sub>O and the relationship with other manganese(ii) oxalates.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","485","489","10.1039/d0dt03765f","","","0.71073","MoKα","","0.0359","0.0345","","","0.0981","0.0994","","","","","","1.198","","","","has coordinates","261672","2021-02-04","23:14:23",""
"9016938","7.8412","","11.0313","","11.387","","90","","90","","90","","984.96","","","","","","","","","","","","Dora-Maira massif, Western Alps, Italy","13","P m n a","-P 2ac 2","53","","","Lusernaite-(Y)","- C2 H22.34 Al Ca0.05 Dy0.17 Er0.15 F0.66 Gd0.07 O22.34 Pb0.057 Sm0.01 Y3.41 Yb0.09 -","- C2 H22.34 Al Ca0.05 Dy0.17 Er0.15 F0.66 Gd0.07 O22.34 Pb0.057 Sm0.01 Y3.41 Yb0.09 -","- C4 H44.68 Al2 Ca0.1 Dy0.34 Er0.3 F1.32 Gd0.14 O44.68 Pb0.114 Sm0.02 Y6.82 Yb0.18 -","2","0.25","","Biagioni, C.; Bonaccorsi, E.; Camara, F.; Cadoni, M.; Ciriotti, M. E.; Bersani, D.; Kolitsch, U.","Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from Luserna Valley, Piedmont, Italy: Description and crystal structure","American Mineralogist","2013","98","","1322","1329","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""