# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T15:36:56+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 65 2 2' 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
"1100704","9.182","0.002","9.182","0.002","52.48","0.018","90","","90","","120","","3831.7","1.9","163","2","163","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H22 Ag2 Cl2 N4 O8 S2 -","- C20 H22 Ag2 Cl2 N4 O8 S2 -","- C120 H132 Ag12 Cl12 N24 O48 S12 -","6","0.5","","Caradoc-Davies, Paula L.; Hanton, Lyall R.","Formation of a Single-Stranded Silver(I) Helical Coordination Polymer Containing π-Stacked Planar Chiral N~4~S~2~ Ligands","Chemical Communications (Cambridge, United Kingdom)","2001","","12","1098","1099","10.1039/b101875m","","","0.71073","MoKα","","0.0434","0.042","","","0.0887","0.0893","","","","","","1.177","","","","has coordinates","176868","2020-10-21","18:00:00",""
"1505479","16.3949","0.0002","16.3949","0.0002","37.937","0.0008","90","","90","","120","","8831","0.2","143","1","143","1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C68 H52 K3 O8 Yb -","- C68 H52 K3 O8 Yb -","- C408 H312 K18 O48 Yb6 -","6","0.5","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0382","0.0351","","","0.0935","0.0954","","","","","","1.142","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507696","9.2984","0.0001","9.2984","0.0001","124.047","0.001","90","","90","","120","","9288.24","0.16","130","2","130","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C76 H72 N2 O8 Se2 -","- C76 H72 N2 O8 Se2 -","- C456 H432 N12 O48 Se12 -","6","0.5","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","1.54184","CuKα","","0.0571","0.057","","","0.1267","0.1267","","","","","","1.261","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1534830","9.452","","9.452","","15.698","","90","","90","","120","","1214.57","","","","","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","(N H4)0.5 (Fe (H2 O)2) (B P2 O8) (H2 O)0.5","","- B Fe H7 N0.5 O10.5 P2 -","- B Fe H4 N0.5 O10.5 P2 -","- B6 Fe6 H24 N3 O63 P12 -","6","0.5","","Shi, H.; Shan, Y.; He, M.; Liu, Y.","Synthesis and structural characterization of a new ferrous-ferric borophosphate: (N H4)0.5 Fe(II)0.5 Fe(III)0.5 (H2 O)2 B P2 O8 (H2 O)0.5","Journal of Chemical Research (Synopsis)","2003","2003","","612","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1561440","12.3525","0.0002","12.3525","0.0002","79.6448","0.0018","90","","90","","120","","10524.4","0.3","143","","143.15","","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C38 H48 O4 -","- C38 H48 O4 -","- C456 H576 O48 -","12","1","","Lu, Wei-Jia; Xu, Wen-Jun; Zhang, Mei-Hui; Zhang, Yan-Qiu; Li, Yi-Ran; Zhang, Hao; Luo, Jun; Kong, Ling-Yi","Diverse Polycyclic Polyprenylated Acylphloroglucinol Congeners with Anti-Nonalcoholic Steatohepatitis Activity from <i>Hypericum forrestii</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c01202","","","1.54178","CuKα","","0.0799","0.0796","","","0.181","0.1812","","","","","","1.236","","","","has coordinates,has disorder","263535","2021-04-01","23:14:37",""
"2002949","10.464","0.004","10.464","","15.056","0.004","90","","90","","120","","1427.7","0.7","294.2","0.2","294","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- Co0.2 H2 Na O5 P Zn0.8 -","- Na O5 P Zn -","- Na12 O60 P12 Zn12 -","12","1","BM0019","Madeleine Helliwell","Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography","Acta Crystallographica Section B","1999","55","3","327","332","10.1107/S0108768198014414","","","1.5418","CuKα","","0.0607","0.0513","","","","0.1252","","","","","","1.081","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003260","11.79","0.006","11.79","0.006","18.373","0.004","90","","90","","120","","2211.8","1.7","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 I P -","- C14 H16 I P -","- C84 H96 I6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.021","","","0.0242","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003261","11.603","0.002","11.603","0.002","17.968","0.005","90","","90","","120","","2094.9","0.8","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 Br P -","- C14 H16 Br P -","- C84 H96 Br6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.039","","","0.0464","","","","","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008875","10.422","0.006","10.422","0.006","101.433","0.007","90","","90","","120","","9541","8","298.2","","298.2","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","[Co{α-Me‒sal~2~‒(S,S)‒bn}(py)~2~}]BF~4~, 1.5-water","","- C30 H35 B Co F4 N4 O3.5 -","- C30 H34.49 B Co F4 N4 O3.245 -","- C360 H413.88 B12 Co12 F48 N48 O38.94 -","12","1","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","1.5418","CuKα","","","0.0541","","","","0.0585","","","","","","1.892","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2018577","9.5231","0.0014","9.5231","0.0014","15.633","0.002","90","","90","","120","","1227.8","0.3","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium diaquacobalt(II) <i>catena</i>-borodiphosphate 0.48-hydrate","","- B Co H4.96 K O10.48 P2 -","- B Co K0.999 O10.48 P2 -","- B6 Co6 K5.994 O62.88 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.0377","0.0374","","","0.0947","0.095","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018578","9.472","0.0015","9.472","0.0015","15.872","0.006","90","","90","","120","","1233.2","0.5","293","2","293","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium calcium diaquacobalt(II) <i>catena</i>-borodiphosphate monohydrate","","- B Ca0.42 Co H6 K0.17 O11 P2 -","- B Ca0.418 Co H4 K0.172 O11 P2 -","- B6 Ca2.508 Co6 H24 K1.032 O66 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.029","0.0261","","","0.0684","0.0705","","","","","","0.984","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2100344","14.696","0.002","14.696","0.002","13.686","0.003","90","","90","","120","","2559.8","0.7","173","2","173","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","pinacol hemihydrate","2,3-dimethyl-2,3-butanediol hemihydrate","","- C6 H15 O2.5 -","- C6 H14 O2.5 -","- C72 H168 O30 -","12","1","WS5034","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","The unusual phases of anhydrous and hydrated pinacol","Acta Crystallographica Section B","2005","61","6","689","699","10.1107/S0108768105031356","","","0.71073","MoKα","","0.0927","0.0715","","","0.1948","0.2144","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2108388","13.854","0.003","13.854","0.003","27.167","0.008","90","","90","","120","","4515.7","1.9","293","2","293.15","","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H26 N4 O4 -","- C26 H26 N4 O4 -","- C156 H156 N24 O24 -","6","0.5","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","1.54178","CuKα","","0.0743","0.0421","","","0.0986","0.1133","","","","","","1.021","","","","has coordinates,has Fobs","214247","2020-10-21","18:00:00",""
"2207477","8.4786","0.0007","8.4786","0.0007","59.562","0.009","90","","90","","120","","3708.1","0.7","295","2","","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","1,2-Bis[2-ethyl-5-(2,2-dicyanovinyl)-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C25 H14 F6 N4 S2 -","- C25 H14 F6 N4 S2 -","- C150 H84 F36 N24 S12 -","6","0.5","CF6475","Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Xu, Jing-Kun","1,2-Bis[5-(2,2-dicyanovinyl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a new photochromic diarylethene compound","Acta Crystallographica Section E","2005","61","12","o4077","o4079","10.1107/S1600536805036512","","","0.71073","MoKα","","0.0774","0.0486","","","0.1034","0.1179","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2217894","12.7187","0.0002","12.7187","0.0002","62.2321","0.0009","90","","90","","120","","8718.3","0.2","180","2","180","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Poly[[aqua-μ~3~-picolinato-μ~2~-picolinato- dipicolinatopotassium(I)terbium(III)] 2.5-hydrate]","","- C24 H23 K N4 O11.5 Tb -","- C24 H23 K N4 O11.5 Tb -","- C288 H276 K12 N48 O138 Tb12 -","12","1","CV2369","Cunha-Silva, Luís; Soares-Santos, Paula C. R.; Nogueira, Helena I. S.; Trindade, Tito; Klinowski, Jacek; Rocha, João; Almeida Paz, Filipe A.","Poly[[aqua-μ~3~-picolinato-μ~2~-picolinato-dipicolinatopotassium(I)terbium(III)] 2.5-hydrate]","Acta Crystallographica Section E","2008","64","4","m529","m530","10.1107/S1600536808005758","","","0.71073","MoKα","","0.0397","0.0324","","","0.0908","0.0943","","","","","","1.138","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2218322","9.4139","0.0001","9.4139","0.0001","15.7113","0.0003","90","","90","","120","","1205.82","0.03","173","2","173","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Lithium diaquamagnesium catena-borodiphosphate(V) monohydrate","","- B H6 Li Mg O11 P2 -","- B H4 Li Mg O11 P2 -","- B6 H24 Li6 Mg6 O66 P12 -","6","0.5","BR2074","Lin, Jin-Ru; Huang, Ya-Xi; Wu, Yu-Huan; Zhou, Yan","Lithium diaquamagnesium <i>catena</i>-borodiphosphate(V) monohydrate, LiMg(H~2~O)~2~[BP~2~O~8~]·H~2~O, at 173 K","Acta Crystallographica Section E","2008","64","6","i39","i40","10.1107/S160053680801516X","","","0.71073","MoKα","","0.0466","0.0366","","","0.0899","0.092","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219105","9.5765","0.0004","9.5765","0.0004","15.857","0.001","90","","90","","120","","1259.4","0.11","295","2","295","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","Lithium manganese diaquaborophosphate monohydrate","Lithium manganese diaquaborophosphate monohydrate","","- B H6 Li Mn O11 P2 -","- B H4 Li0.998 Mn O11 P2 -","- B6 H24 Li5.988 Mn6 O66 P12 -","6","0.5","MG2052","Zhuang, Rong-Chuan; Chen, Xue-Yun; Mi, Jin-Xiao","Lithium manganese(II) diaquaborophosphate monohydrate","Acta Crystallographica Section E","2008","64","8","i46","","10.1107/S1600536808018898","","","0.71073","MoKα","","0.04","0.0399","","","0.0964","0.0965","","","","","","1.194","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222173","9.3359","0.0003","9.3359","0.0003","15.7497","0.0011","90","","90","","120","","1188.82","0.1","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Lithium diaquanickel(II) <i>catena</i>-borodiphosphate(V) monohydrate","","- B H6 Li Ni O11 P2 -","- B H6 Li Ni O11 P2 -","- B6 H36 Li6 Ni6 O66 P12 -","6","0.5","WM2227","Zheng, Juan; Zhang, Aiyun","Lithium diaquanickel(II) <i>catena</i>-borodiphosphate(V) monohydrate","Acta Crystallographica Section E","2009","65","6","i42","","10.1107/S1600536809014652","","","0.71073","MoKα","","0.0274","0.0261","","","0.0647","0.0653","","","","","","1.137","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230312","9.4577","0.0004","9.4577","0.0004","15.8301","0.0013","90","","90","","120","","1226.27","0.12","296","2","296","2","101","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Silver(I) diaquamagnesium <i>catena</i>-borodiphosphate(V) monohydrate","","- Ag B H6 Mg O11 P2 -","- Ag B H6 Mg O11 P2 -","- Ag6 B6 H36 Mg6 O66 P12 -","6","0.5","FJ2421","Zouihri, Hafid; Saadi, Mohammed; Jaber, Boujemaa; El Ammari, Lehcen","Silver(I) diaquamagnesium <i>catena</i>-borodiphosphate(V) monohydrate, AgMg(H~2~O)~2~[BP~2~O~8~]·H~2~O","Acta Crystallographica Section E","2011","67","6","i39","","10.1107/S1600536811019477","","","0.71073","MoKα","","0.0373","0.0365","","","0.0998","0.1006","","","","","","1.101","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231002","9.3848","0.0006","9.3848","0.0006","15.8411","0.0018","90","","90","","120","","1208.28","0.18","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Silver diaquanickel(II) <i>catena</i>-borodiphosphate(V) hydrate","","- Ag0.57 B H5.33 Ni1.22 O10.67 P2 -","- Ag0.567 B H5.34 Ni1.2167 O10.67 P2 -","- Ag3.402 B6 H32.04 Ni7.3002 O64.02 P12 -","6","0.5","BR2172","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lahcen","Silver(I) diaquanickel(II) <i>catena</i>-borodiphosphate(V) hydrate, (Ag~0.57~Ni~0.22~)Ni(H~2~O)~2~[BP~2~O~8~]·0.67H~2~O","Acta Crystallographica Section E","2011","67","8","i44","","10.1107/S160053681102962X","","","0.71073","MoKα","","0.0306","0.0276","","","0.0696","0.071","","","","","","1.075","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233284","9.4321","0.0011","9.4321","0.0011","15.75","0.004","90","","90","","120","","1213.5","0.4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Silver diaquacobalt(II) <i>catena</i>-borodiphosphate(V) hydrate","","- Ag0.79 B Co1.11 H5.33 O10.67 P2 -","- Ag0.784 B Co1.1082 H5.34 O10.67 P2 -","- Ag4.704 B6 Co6.6492 H32.04 O64.02 P12 -","6","0.5","RU2019","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lehcen","Silver diaquacobalt(II) <i>catena</i>-borodiphosphate(V) hydrate, (Ag~0.79~Co~0.11~)Co(H~2~O)~2~[BP~2~O~8~]·0.67H~2~O","Acta Crystallographica Section E","2012","68","1","i3","i4","10.1107/S1600536811052020","","","0.71073","MoKα","","0.0629","0.0402","","","0.0843","0.093","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4000106","16.7265","0.0002","16.7265","0.0002","20.5822","0.0004","90","","90","","120","","4986.92","0.13","296","2","296","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C27 H28 Co3 O26 -","- C27 H27 Co3 O26 -","- C162 H162 Co18 O156 -","6","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0351","0.0298","","","0.0766","0.0788","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001476","9.5354","","9.5354","","15.7676","","90","","90","","120","","1241.58","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate","","- B H6 O10 P2 Sc -","- B O10 P2 Sc -","- B6 O60 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0377","0.0366","","","0.0304","0.0305","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001477","9.5752","0.0003","9.5752","0.0003","15.8145","0.0006","90","","90","","120","","1255.69","0.07","293","2","295.15","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B H4 O11 P2 Sc -","- B6 H24 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","","","0.7107","MoKα","","","0.033","","","","0.08","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001478","9.5739","","9.5739","","15.8069","","90","","90","","120","","1254.74","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B O11 P2 Sc -","- B6 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0348","0.0344","","","0.0343","0.0343","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001617","7.608","0.003","7.608","0.003","28.508","0.015","90","","90","","120","","1429","1.1","298","2","298","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- Ga9 Pd3 Yb2 -","- Ga9 Pd3 Yb2 -","- Ga54 Pd18 Yb12 -","6","0.5","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71069","MoKα","","0.1323","0.0725","","","0.1085","0.1438","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002298","9.4583","","9.4583","","15.707","","90","","90","","120","","1216.89","","","","","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","(Fe (H2 O)2) (B P2 O8) (H2 O)","","- B Fe H6 O11 P2 -","- B Fe O11 P2 -","- B6 Fe6 O66 P12 -","6","0.5","","Yilmaz, A.; Bu Xianhui; Kizilyalli, M.; Stucky, G.D.","Fe (H2 O)2 B P2 O8 . (H2 O), a first zeotype ferriborophosphate with chiral tetrahedral framework topology","Chemistry of Materials (1,1989-)","2000","12","","3243","3245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4003873","11.9347","0.0018","11.9347","0.0018","29.53","0.004","90","","90","","120","","3642.6","0.9","298","","298","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H15 F0.89 N2 O20 Si10 -","- C8 H15 F0.893 N2 O20 Si10 -","- C48 H90 F5.358 N12 O120 Si60 -","6","0.5","","Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.","Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04573","","","1.54178","CuKα","","0.0382","0.0347","","","0.0795","0.0807","","","","","","1.088","","","","has coordinates,has disorder","262241","2021-02-25","23:24:10",""
"4034247","17.6547","0.0003","17.6547","0.0003","42.2964","0.0007","90","","90","","120","","11417.1","0.3","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H27 F3 N2 O2 S -","- C36 H27 F3 N2 O2 S -","- C432 H324 F36 N24 O24 S12 -","12","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","x-ray","0.71073","MoKα","","0.0407","0.0345","","","0.0834","0.0866","","","","","","1.03","","","","has coordinates","222790","2020-10-21","18:00:00",""
"4077623","15.1157","0.001","15.1157","0.001","59.098","0.007","90","","90","","120","","11693.9","1.8","213","2","213","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C88 H94 Li3 O13 Yb -","- C88 H94 Li3 O13 Yb -","- C528 H564 Li18 O78 Yb6 -","6","0.5","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.1156","0.0987","","","0.1993","0.2214","","","","","","1.097","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4078321","17.3","0.017","17.3","0.017","16.85","0.02","90","","90","","120","","4367","8","110","2","110","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H28 Ag I N4 -","- C26 H32 Ag N4 -","- C156 H192 Ag6 N24 -","6","0.5","","Su, Haw-Lih; Pérez, Lisa M.; Lee, Sheng-Jui; Reibenspies, Joseph H.; Bazzi, Hassan S.; Bergbreiter, David E.","Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2012","31","10","4063","","10.1021/om300340w","","","0.71073","MoKα","","0.2255","0.0739","","","0.1032","0.1416","","","","","","1.004","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078892","11.557","0.004","11.557","0.004","48.53","0.019","90","","90","","120","","5613","4","173","2","173","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H60 Zn3 -","- C36 H60 Zn3 -","- C216 H360 Zn18 -","6","0.5","","Zhou, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","1,3-Butadienylzinc Trimer Formed via Transmetalation from 1,4-Dilithio-1,3-butadienes: Synthesis, Structural Characterization, and Application in Negishi Cross-Coupling","Organometallics","2012","31","15","5546","","10.1021/om3005004","","","0.71073","MoKα","","0.05","0.0461","","","0.0951","0.0983","","","","","","1.126","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4080417","13.2988","0.0003","13.2988","0.0003","45.8519","0.0013","90","","90","","120","","7022.8","0.3","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C38 H50 Au2 F12 N10 P2 -","- C38 H50 Au2 F12 N10 P2 -","- C228 H300 Au12 F72 N60 P12 -","6","0.5","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0522","0.0404","","","0.0745","0.0823","","","","","","1.058","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080507","13.4806","0.0004","13.4806","0.0004","29.3772","0.0009","90","","90","","120","","4623.4","0.2","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H40 B2 Br2 N8 O4 -","- C20 H40 B2 Br2 N8 O4 -","- C120 H240 B12 Br12 N48 O24 -","6","0.5","","Bass, Heather M.; Cramer, S. Alan; McCullough, Alexander S.; Bernstein, Karl J.; Murdock, Christopher R.; Jenkins, David M.","Employing Dianionic Macrocyclic Tetracarbenes To Synthesize Neutral Divalent Metal Complexes","Organometallics","2013","32","7","2160","","10.1021/om400043z","","","0.71073","MoKα","","0.0659","0.0609","","","0.169","0.1737","","","","","","1.097","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4101496","40.8437","0.0003","40.8437","0.0003","28.724","0.0001","90","","90","","120","","41497.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","abp02","","","- C63 H95 N11 O45.5 -","- C63 H95 N11 O45.5 -","- C756 H1140 N132 O546 -","12","1","","Grotenbreg, Gijsbert M; Buizert, Annelies E M; Llamas-Saiz, Antonio L; Spalburg, Emile; van Hooft, Peter A V; de Neeling, Albert J; Noort, Daan; van Raaij, Mark J; van der Marel, Gijsbert A; Overkleeft, Herman S; Overhand, Mark","Beta-turn modified gramicidin S analogues containing arylated sugar amino acids display antimicrobial and hemolytic activity comparable to the natural product.","Journal of the American Chemical Society","2006","128","23","7559","7565","10.1021/ja0588510","","","0.97565","synchrotron","","0.1258","0.1152","","","0.3249","0.3391","","","","","","1.629","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4106883","19.411","0.002","19.411","0.002","16.0339","0.0012","90","","90","","120","","5232","0.9","200","2","200","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 Cr4 Mn2 N8 O53 -","- C24 Cr4 Mn2 N8 O53 -","- C72 Cr12 Mn6 N24 O159 -","3","0.25","","Emilio Pardo; Cyrille Train; Geoffrey Gontard; Kamal Boubekeur; Oscar Fabelo; Hongbo Liu; Brahim Dkhil; Francesc Lloret; Kosuke Nakagawa; Hiroko Tokoro; Shin-ichi Ohkoshi; Michel Verdaguer","High Proton Conduction in a Chiral Ferromagnetic Metal-Organic Quartz-like Framework","Journal of the American Chemical Society","2011","133","","15328","15331","10.1021/ja206917z","","","0.71073","MoKα","","0.0828","0.0578","","","0.1484","0.1621","","","","","","1.045","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4112682","19.365","0.003","19.365","0.003","42.143","0.008","90","","90","","120","","13686","4","253","2","253","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C77 H82 F12 N6 O8 P4 Pt2 -","- C77 H82 F12 N6 O8 P4 Pt2 -","- C462 H492 F72 N36 O48 P24 Pt12 -","6","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0844","0.0497","","","0.1411","0.1618","","","","","","1.034","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4116576","11.0367","0.0004","11.0367","0.0004","30.4227","0.0014","90","","90","","120","","3209.3","0.2","188","2","188","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","[Fe(TC-5,5)] (1)","","","- C24 H30 Fe N4 -","- C24 H30 Fe N4 -","- C144 H180 Fe6 N24 -","6","0.5","","Katherine J. Franz; Stephen J. Lippard","NO Disproportionation Reactivity of Fe Tropocoronand Complexes","Journal of the American Chemical Society","1999","121","","10504","10512","10.1021/ja991664f","","","0.71073","MoKα","","0.0879","0.0796","","","0.147","0.1495","","","","","","1.387","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4118272","16.647","0.0005","16.647","0.0005","41.4457","0.0015","90","","90","","120","","9946.8","0.6","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C12 H51 K Mo10 N2 O36 S8 -","- C12 K Mo10 N2 O36 S8 -","- C72 K6 Mo60 N12 O216 S48 -","6","0.5","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0709","0.0504","","","0.13","0.1464","","","","","","1.082","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4119132","16.185","0.006","16.185","0.006","20.335","0.007","90","","90","","120","","4613","3","103.15","","103","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C25 H44 Cl Ir O P2 -","- C25 H43 Cl Ir O P2 -","- C150 H258 Cl6 Ir6 O6 P12 -","6","0.5","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.0353","0.0346","","","0.0955","0.0958","","","","","","1.275","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4127729","17.2882","0.0014","17.2882","0.0014","95.075","0.008","90","","90","","120","","24609","3","100","2","99.98","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C243 H241 N23 O30 S7 -","- C243 H241 N23 O30 S7 -","- C729 H723 N69 O90 S21 -","3","0.25","","Shi, Yan; Yin, Guangqiang; Yan, Zhiping; Sang, Peng; Wang, Minghui; Brzozowski, Robert; Eswara, Prahathees; Wojtas, Lukasz; Zheng, Youxuan; Li, Xiaopeng; Cai, Jianfeng","Helical Sulfono-γ-AApeptides with Aggregation-Induced Emission and Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","32","12697","12706","10.1021/jacs.9b05329","","","1.54178","CuKα","","0.0875","0.0697","","","0.1992","0.2171","","","","","","1.048","","","","has coordinates,has disorder","220907","2020-10-21","18:00:00",""
"4128058","21.2499","0.0007","21.2499","0.0007","15.2397","0.0006","90","","90","","120","","5959.7","0.4","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.5 F6 Mn0.43 O4 -","- C17 H8 Ca0.065 Co0.5 F6 Mn0.435 O4 -","- C204 H96 Ca0.78 Co6 F72 Mn5.22 O48 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0795","0.0605","","","0.1502","0.1618","","","","","","1.003","","","","has coordinates,has disorder","221189","2020-10-21","18:00:00",""
"4128059","21.25","0.002","21.25","0.002","15.3379","0.0018","90","","90","","120","","5998.1","1.1","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.27 F6 Mn0.29 O4.33 Zn0.23 -","- C17 H8 Ca0.205 Co0.27 F6 Mn0.295 O4.25 Zn0.23 -","- C204 H96 Ca2.46 Co3.24 F72 Mn3.54 O51 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1067","0.0635","","","0.1555","0.1818","","","","","","0.975","","","","has coordinates,has disorder","221190","2020-10-21","18:00:00",""
"4128060","21.2761","0.0012","21.2761","0.0012","15.1699","0.001","90","","90","","120","","5947","0.6","273","2","273.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.1 F6 Mn0.5 O4.15 Zn0.4 -","- C17 H8 Co0.0995 F6 Mn0.5 O4.15 Zn0.4005 -","- C204 H96 Co1.194 F72 Mn6 O49.8 Zn4.806 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0322","0.0307","","","0.0918","0.0928","","","","","","1.168","","","","has coordinates,has disorder","221191","2020-10-21","18:00:00",""
"4128061","21.2639","0.0012","21.2639","0.0012","15.1083","0.0012","90","","90","","120","","5916.1","0.7","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.48 F6 Mn0.35 O4 Zn0.17 -","- C17 H8 Co0.49 F6 Mn0.415 O4.25 Zn0.18 -","- C204 H96 Co5.88 F72 Mn4.98 O51 Zn2.16 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0791","0.0615","","","0.1574","0.1661","","","","","","1.053","","","","has coordinates,has disorder","221192","2020-10-21","18:00:00",""
"4128062","21.2824","0.0018","21.2824","0.0018","15.321","0.0014","90","","90","","120","","6009.8","0.9","296","2","296.15","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.12 F6 Mn0.29 O4 Zn0.38 -","- C17 H8 Ca0.215 Co0.115 F6 Mn0.285 O4 Zn0.385 -","- C204 H96 Ca2.58 Co1.38 F72 Mn3.42 O48 Zn4.62 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1396","0.1315","","","0.306","0.3335","","","","","","1.655","","","","has coordinates,has disorder","221193","2020-10-21","18:00:00",""
"4128063","21.2423","0.0006","21.2423","0.0006","15.1282","0.0006","90","","90","","120","","5911.8","0.3","296","2","296.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.36 F6 Mn0.49 O4.17 Zn0.14 -","- C17 H8 Co0.3625 F6 Mn0.4945 O4.16665 Zn0.1375 -","- C204 H96 Co4.35 F72 Mn5.934 O49.9998 Zn1.65 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0438","0.0394","","","0.1138","0.1173","","","","","","0.942","","","","has coordinates,has disorder","221194","2020-10-21","18:00:00",""
"4128064","21.2819","0.0009","21.2819","0.0009","15.1237","0.0008","90","","90","","120","","5932.1","0.5","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.44 F6 Mn0.43 O4 Zn0.13 -","- C17 H8 Co0.371 F6 Mn0.5 O4.25 Zn0.129 -","- C204 H96 Co4.452 F72 Mn6 O51 Zn1.548 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0647","0.0535","","","0.1399","0.1488","","","","","","1.056","","","","has coordinates,has disorder","221195","2020-10-21","18:00:00",""
"4128065","21.2232","0.0006","21.2232","0.0006","15.1771","0.0006","90","","90","","120","","5920.3","0.3","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C204 H96 Ca0.48 Co0.72 F72 Mn5.52 O54 Zn5.28 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0706","0.0589","","","0.1717","0.195","","","","","","1.064","","","","has coordinates,has disorder","221196","2020-10-21","18:00:00",""
"4128066","21.2716","0.0012","21.2716","0.0012","15.1756","0.0011","90","","90","","120","","5946.7","0.6","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.27 F6 Mn0.43 O4.38 Zn0.23 -","- C17 H8 Ca0.065 Co0.27 F6 Mn0.435 O4.375 Zn0.23 -","- C204 H96 Ca0.78 Co3.24 F72 Mn5.22 O52.5 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.085","0.0774","","","0.2006","0.2064","","","","","","1.618","","","","has coordinates,has disorder","221197","2020-10-21","18:00:00",""
"4128067","21.2398","0.0007","21.2398","0.0007","15.1793","0.0009","90","","90","","120","","5930.4","0.4","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.08 Co0.14 F6 Mn0.5 O4.25 Zn0.36 -","- C17 H8 Ca0.2 Co0.155 F6 Mn0.4 O4.25 Zn0.345 -","- C204 H96 Ca2.4 Co1.86 F72 Mn4.8 O51 Zn4.14 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0807","0.0676","","","0.1733","0.1841","","","","","","1.185","","","","has coordinates,has disorder","221198","2020-10-21","18:00:00",""
"4129274","9.9441","0.0002","9.9441","0.0002","64.373","0.0015","90","","90","","120","","5512.7","0.2","293","","293","","","","","","","","see text","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C222 H204 Br12 Cl12 Cu12 N12 P12 -","6","0.5","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0486","0.0468","","","0.1054","0.1064","","","","","","1.059","","","","has coordinates","240029","2020-10-21","18:00:00",""
"4129982","22.92","0.003","22.92","0.003","22.27","0.005","90","","90","","120","","10132","3","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0812","0.0492","","","0.1233","0.1326","","","","","","1.012","","","","has coordinates","240589","2020-10-21","18:00:00",""
"4302175","13.229","0.0019","13.229","0.0019","84.354","0.017","90","","90","","120","","12785","4","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C80 H122 Fe4 N6 O14 -","- C80 H122 Fe4 N6 O14 -","- C480 H732 Fe24 N36 O84 -","6","0.5","","Reena Singh; Atanu Banerjee; Enrique Colacio; Kajal Krishna Rajak","Enantiopure Tetranuclear Iron(III) Complexes Using Chiral Reduced Schiff Base Ligands: Synthesis, Structure, Spectroscopy, Magnetic Properties, and DFT Studies","Inorganic Chemistry","2009","48","","4753","4762","10.1021/ic802206q","","","0.71073","MoKα","","0.1238","0.1035","","","0.2114","0.2198","","","","","","1.184","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4315549","21.56","0.003","21.56","0.003","77.814","0.016","90","","90","","120","","31325","9","293","2","100","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","Zn4O(spiro)-LT (DUT-7(LT))","","","- C63 H56 N2 O15 Zn4 -","- C63 H54 N2 O15 Zn4 -","- C756 H648 N24 O180 Zn48 -","12","1","","Kristina Gedrich; Irena Senkovska; Igor A. Baburin; Uwe Mueller; Oliver Trapp; Stefan Kaskel","New Chiral and Flexible Metal-Organic Framework with a Bifunctional Spiro Linker and Zn4O-Nodes","Inorganic Chemistry","2010","49","","4440","4446","10.1021/ic9022085","","","0.88561","synchrotron","","0.0958","0.0551","","","0.1308","0.1443","","","","","","0.9","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316154","11.698","0.0017","11.698","0.0017","48.265","0.01","90","","90","","120","","5719.9","1.7","200","2","200","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C37 H28 N5 O6 Re2 -","- C37 H28 N5 O6 Re2 -","- C222 H168 N30 O36 Re12 -","6","0.5","","Yi-Hsiu Tseng; Dibyendu Bhattacharya; Shih-Ming Lin; P. Thanasekaran; Jing-Yun Wu; Li-Wei Lee; M. Sathiyendiran; Mei-Lin Ho; Min-Wen Chung; Kung-Chung Hsu; Pi-Tai Chou; Kuang-Lieh Lu","Highly Emissive Cyclometalated Rhenium Metallacycles: Structure-Luminescence Relationship","Inorganic Chemistry","2010","49","","6805","6807","10.1021/ic100882u","","","0.71073","MoKα","","0.0545","0.0389","","","0.1064","0.1265","","","","","","1.089","","","","has coordinates,has disorder","179241","2020-10-21","18:00:00",""
"4316707","11.4544","0.0003","11.4544","0.0003","11.153","0.0006","90","","90","","120","","1267.26","0.08","294","2","294","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C2 H2 Cd Cl N3 -","- C2 H2 Cd Cl N3 -","- C12 H12 Cd6 Cl6 N18 -","6","0.5","","Gang Wei; Yu-Feng Shen; Yong-Ru Li; Xiao-Chun Huang","Synthesis, Crystal Structure, and Photoluminescent Properties of Ternary Cd(II)/Triazolate/Chloride System","Inorganic Chemistry","2010","49","","9191","9199","10.1021/ic100610t","","","0.71073","MoKα","","0.0128","0.0126","","","0.0325","0.0327","","","","","","1.116","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4321386","9.3154","0.0011","9.3154","0.0011","39.313","0.005","90","","90","","120","","2954.4","0.6","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","[(4-aminomethyl)pyridine]silver(I) perchlorate hemihydrate","","- C6 H8 Ag Cl N2 O4.5 -","- C6 H8 Ag Cl N2 O4.5 -","- C72 H96 Ag12 Cl12 N24 O54 -","12","1","","Sunkari Sailaja; M. V. Rajasekharan","One-Dimensional Coordination Polymers of Silver(I) with Aminomethylpyridines. Example of a Triple Helical Infinite Chain","Inorganic Chemistry","2000","39","","4586","4590","10.1021/ic000139a","","","0.71073","MoKα","","0.1148","0.0579","","","0.0981","0.1134","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324265","11.3315","0.0002","11.3315","0.0002","59.8555","0.0016","90","","90","","120","","6655.9","0.2","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C44 H45.18 N10 Ni O15.52 -","- C44 H34 N10 Ni O15.524 -","- C264 H204 N60 Ni6 O93.144 -","6","0.5","","Daniel L. Reger; Jacob J. Horger; Mark D. Smith; Gary J. Long; Fernande Grandjean","Homochiral, Helical Supramolecular Metal-Organic Frameworks Organized by Strong π...π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids","Inorganic Chemistry","2011","50","","686","704","10.1021/ic102256t","","","0.71073","MoKα","","0.0713","0.0534","","","0.1192","0.1296","","","","","","1.058","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4332536","8.0101","0.0003","8.0101","0.0003","33.3449","0.001","90","","90","","120","","1852.83","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 65 2 2","P 65 2 (0 0 1)","179","DCBACH","","","- C10 H9 Ag Cl N3 O4 -","- C10 H9 Ag Cl N3 O4 -","- C60 H54 Ag6 Cl6 N18 O24 -","6","0.5","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","x-ray","0.71073","MoKα","","0.05","0.031","","","0.0614","0.0676","","","","","","1.623","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333408","16.275","0.002","16.275","0.002","19.222","0.004","90","","90","","120","","4409.3","1.2","120","2","120","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C23 H43 Cl N P2 Rh -","- C23 H43 Cl N P2 Rh -","- C138 H258 Cl6 N6 P12 Rh6 -","6","0.5","","Feller, Moran; Ben-Ari, Eyal; Gupta, Tarkeshwar; Shimon, Linda J. W.; Leitus, Gregory; Diskin-Posner, Yael; Weiner, Lev; Milstein, David","Mononuclear Rh(II) PNP-type complexes. Structure and reactivity.","Inorganic chemistry","2007","46","25","10479","10490","10.1021/ic701044b","","","0.71073","MoKα","","0.0347","0.0288","","","0.0725","0.0761","","","","","","1.006","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4337800","18.7958","0.0003","18.7958","0.0003","29.6903","0.0008","90","","90","","120","","9083.8","0.3","123","2","123","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H25.5 Ag0.5 N4 O4.5 -","- C29 H25.5 Ag0.5 N4 O4.5 -","- C348 H306 Ag6 N48 O54 -","12","1","","Xi, Xiaobing; Liu, Yan; Cui, Yong","Homochiral silver-based coordination polymers exhibiting temperature-dependent photoluminescence behavior.","Inorganic chemistry","2014","53","5","2352","2354","10.1021/ic4027865","","","1.54178","CuKα","","0.0681","0.0666","","","0.1817","0.1838","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4345610","4.256","0.002","4.256","0.002","34.905","0.002","90","","90","","120","","547.5","0.4","293","2","293","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","Nickel tetraborate","NiB4O7","","- B4 Ni O7 -","- B4 Ni O7 -","- B24 Ni6 O42 -","6","0.5","","Schmitt, Martin K.; Janka, Oliver; Niehaus, Oliver; Dresselhaus, Thomas; Pöttgen, Rainer; Pielnhofer, Florian; Weihrich, Richard; Krzhizhanovskaya, Maria; Filatov, Stanislav; Bubnova, Rimma; Bayarjargal, Lkhamsuren; Winkler, Björn; Glaum, Robert; Huppertz, Hubert","Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7.","Inorganic chemistry","2017","56","7","4217","4228","10.1021/acs.inorgchem.7b00243","","","0.71073","MoKα","","0.0183","0.018","","","0.047","0.0471","","","","","","1.219","","","","has coordinates","194723","2020-10-21","18:00:00",""
"4346585","17.07","0.006","17.07","0.006","15.917","0.005","90","","90","","120","","4017","2","98","2","98","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C28 H20 Fe K2 N8 -","- C28 H20 Fe K2 N8 -","- C168 H120 Fe6 K12 N48 -","6","0.5","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0365","0.0348","","","0.081","0.0822","","","","","","0.997","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346930","11.3341","0.001","11.3341","0.001","27.482","0.002","90","","90","","120","","3057.4","0.4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 Gd N3 O8 Zn -","- C20 H16 Gd N3 O8 Zn -","- C120 H96 Gd6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0408","0.0325","","","0.0622","0.064","","","","","","1.014","","","","has coordinates","232068","2020-10-21","18:00:00",""
"4346933","11.369","0.006","11.369","0.006","27.62","0.03","90","","90","","120","","3092","4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 N3 O8 Sm Zn -","- C20 H16 N3 O8 Sm Zn -","- C120 H96 N18 O48 Sm6 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0324","0.0256","","","0.0565","0.0581","","","","","","1.103","","","","has coordinates","232071","2020-10-21","18:00:00",""
"4346935","11.3355","0.0003","11.3355","0.0003","27.5239","0.0016","90","","90","","120","","3062.8","0.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H16 Eu N3 O8 Zn -","- C20 H16 Eu N3 O8 Zn -","- C120 H96 Eu6 N18 O48 Zn6 -","6","0.5","","He, Xingxiang; Liu, Ying; Lv, Yun; Dong, Yayu; Hu, Gonghao; Zhou, Shuai; Xu, Yan","L- and D-[LnZn(IN)3(C2H4O2)]n (Ln = Eu, Sm, and Gd): Chiral Enantiomerically 3D 3d-4f Coordination Polymers Constructed by Interesting Butterfly-like Building Units and -[Ln-O-Zn]n- Helices.","Inorganic chemistry","2016","55","5","2048","2054","10.1021/acs.inorgchem.5b02372","","","0.71073","MoKα","","0.0313","0.0271","","","0.06","0.0611","","","","","","1.048","","","","has coordinates","232073","2020-10-21","18:00:00",""
"4350137","8.5832","0.0012","8.5832","0.0012","52.61","0.011","90","","90","","120","","3356.6","1","293","2","293","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C6 H27 Co N6 O16 P4 Zn3 -","- C6 H27 Co N6 O16 P4 Zn3 -","- C36 H162 Co6 N36 O96 P24 Zn18 -","6","0.5","","Wang, Yu; Chen, Peng; Li, Jiyang; Yu, Jihong; Xu, Jin; Pan, Qinhe; Xu, Ruren","Chiral layered zincophosphate [d-Co(en)3]Zn3(H0.5PO4)2(HPO4)2 assembled about d-Co(en)(3)3+ complex cations.","Inorganic chemistry","2006","45","12","4764","4768","10.1021/ic0519640","","","0.71073","MoKα","","0.0448","0.0415","","","0.1354","0.1383","","","","","","1.032","","","","has coordinates","239757","2020-10-21","18:00:00",""
"4500765","11.3686","0.0003","11.3686","0.0003","26.7353","0.0012","90","","90","","120","","2992.47","0.17","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H15 Li N3 O8 Tb -","- C20 H15 Li N3 O8 Tb -","- C120 H90 Li6 N18 O48 Tb6 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0177","0.0165","","","0.0384","0.0389","","","","","","1.133","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500766","11.6684","0.0003","11.6684","0.0003","27.714","0.0016","90","","90","","120","","3267.8","0.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H15 Eu N3 Na O8 -","- C20 H15 Eu N3 Na O8 -","- C120 H90 Eu6 N18 Na6 O48 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0586","0.0415","","","0.0803","0.0858","","","","","","1.053","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4501725","10.6023","0.0003","10.6023","0.0003","38.2513","0.001","90","","90","","120","","3723.72","0.18","200.1","","200","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C23 H21 B2 F8 N5 -","- C23 H24 B2 F8 N5 -","- C138 H144 B12 F48 N30 -","6","0.5","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Kubo, Takashi","Hydrogen-Bonded Quartz-type Network of Diprotonated Tetrakis(4-pyridyl)methane Dications","Crystal Growth & Design","2010","10","7","2854","","10.1021/cg1003353","","","0.71075","MoKα","","","0.0643","","","","0.1807","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503533","12.587","0.001","12.587","0.001","58.893","0.01","90","","90","","120","","8080.5","1.6","100","2","100","2","","","","","","","synthesized","6","P 65 2 2","P 65 2 (0 0 1)","179","unknown","unknown","","- C24 H20 Eu N4 Na O10 -","- C24 H20 Eu N4 Na O10 -","- C288 H240 Eu12 N48 Na12 O120 -","12","1","","Hong, Jung Hoon; Oh, Yunghee; Kim, Youngmee; Kang, Sung Kwon; Choi, Jungkweon; Kim, Wan Seop; Lee, Jong In; Kim, Sung-Jin; Hur, Nam Hwi","Polymorph Selective Growth of Sodium Tetrakis(2-pyridinecarboxylato) Lanthanides and Their Structure Sensitive Properties","Crystal Growth & Design","2008","8","4","1364","","10.1021/cg7012705","","x-ray","0.71073","MoKα","","0.0754","0.0355","","","0.0576","0.0642","","","","","","1.01","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4503535","12.5255","0.0005","12.5255","0.0005","59.758","0.005","90","","90","","120","","8119.3","0.8","100","2","100","2","","","","","","","synthesized","6","P 65 2 2","P 65 2 (0 0 1)","179","unknown","unknown","","- C24 H20 N4 Na O10 Tb -","- C24 H20 N4 Na O10 Tb -","- C288 H240 N48 Na12 O120 Tb12 -","12","1","","Hong, Jung Hoon; Oh, Yunghee; Kim, Youngmee; Kang, Sung Kwon; Choi, Jungkweon; Kim, Wan Seop; Lee, Jong In; Kim, Sung-Jin; Hur, Nam Hwi","Polymorph Selective Growth of Sodium Tetrakis(2-pyridinecarboxylato) Lanthanides and Their Structure Sensitive Properties","Crystal Growth & Design","2008","8","4","1364","","10.1021/cg7012705","","x-ray","0.71073","MoKα","","0.0583","0.0453","","","0.0692","0.0822","","","","","","1.007","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4504189","16.7118","0.0017","16.7118","0.0017","19.2905","0.0017","90","","90","","120","","4665.7","0.8","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H40 N O2 P2 Pd -","- C26.325 H43 N O2 P2 Pd -","- C157.95 H258 N6 O12 P12 Pd6 -","6","0.5","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.067","0.0318","","","0.055","0.0571","","","","","","0.995","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4507849","10.3295","0.0001","10.3295","0.0001","28.5612","0.0003","90","","90","","120","","2639.16","0.05","150","","150","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0444","0.0294","","","0.0693","0.0735","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507850","10.4183","0.0001","10.4183","0.0001","28.6329","0.0003","90","","90","","120","","2691.47","0.05","290","2","290","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0449","0.0286","","","0.0596","0.0635","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4509369","16.5748","0.0007","16.5748","0.0007","28.129","0.002","90","","90","","120","","6692.4","0.6","295","2","295","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C35 H19 O10 Zn2 -","- C35 H19 O10 Zn2 -","- C210 H114 O60 Zn12 -","6","0.5","","Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming","Two Metal-Carboxylate Frameworks Featuring Uncommon 2D + 3D and 3-Fold-Interpenetration: (3,5)-Connected Isomeric hms and gra Nets","Crystal Growth & Design","2009","9","5","2415","","10.1021/cg801308u","","","0.71073","MoKα","","0.1065","0.0601","","","0.1576","0.2067","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4514921","10.0036","0.0001","10.0036","0.0001","37.9277","0.0003","90","","90","","120","","3287","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H32 Cl5 N9 O Ru2 -","- C8 H32 Cl5 N9 O Ru2 -","- C48 H192 Cl30 N54 O6 Ru12 -","6","0.5","","Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy","A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury.","ACS central science","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.0171","0.0168","","","0.0427","0.043","","","","","","1.07","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"7008237","10.3184","0.0004","10.3184","0.0004","56.833","0.003","90","","90","","120","","5240.3","0.4","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C13 H14 Cu2 I2 N2 -","- C13 H14 Cu2 I2 N2 -","- C156 H168 Cu24 I24 N24 -","12","1","","Hu, Sheng; Tong, Ming-Liang","Rational design and construction of the first tetrahedral net with photoluminescent Cu4I4 cubane cluster as the tetrahedral node.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1165","1167","10.1039/b500015g","","","0.71073","MoKα","","0.0929","0.0573","","","0.1185","0.1295","","","","","","1.099","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7013058","15.339","0.001","15.339","0.001","18.668","0.004","90","","90","","120","","3803.8","0.9","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H28 Mo2 N O26 Sm -","- C8 H4 Mo2 N O26 Sm -","- C48 H24 Mo12 N6 O156 Sm6 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0294","","","0.0656","0.0699","","","","","","1.117","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013060","15.2645","0.0001","15.2645","0.0001","18.4749","0.0003","90","","90","","120","","3728.02","0.07","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H28 Mo2 N O26 Yb -","- C8 H4 Mo2 N O26 Yb -","- C48 H24 Mo12 N6 O156 Yb6 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0391","","","0.0787","0.0836","","","","","","1.112","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013061","15.298","0.0002","15.298","0.0002","18.6613","0.0003","90","","90","","120","","3782.18","0.09","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H28 Gd Mo2 N O26 -","- C8 H16 Gd Mo2 N O26 -","- C48 H96 Gd6 Mo12 N6 O156 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0257","","","0.0597","0.0629","","","","","","1.087","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013062","15.374","0.001","15.374","0.001","18.741","0.001","90","","90","","120","","3836.2","0.4","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H27 Mo2 O27 Sm -","- C8 H4 Mo2 O27 Sm -","- C48 H24 Mo12 O162 Sm6 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0434","","","0.0859","0.0969","","","","","","1.076","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013063","15.3351","0.0002","15.3351","0.0002","18.7435","0.0003","90","","90","","120","","3817.28","0.09","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H28 Eu Mo2 N O26 -","- C8 H4 Eu Mo2 N O26.5 -","- C48 H24 Eu6 Mo12 N6 O159 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0451","","","0.085","0.0949","","","","","","1.073","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013064","15.3017","0.0002","15.3017","0.0002","18.5504","0.0003","90","","90","","120","","3761.52","0.09","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H28 Ho Mo2 N O26 -","- C8 H4 Ho Mo2 N O26 -","- C48 H24 Ho6 Mo12 N6 O156 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0509","","","0.0911","0.1","","","","","","1.055","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013065","15.295","0.001","15.295","0.001","18.597","0.002","90","","90","","120","","3767.7","0.5","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H28 Mo2 N O26 Y -","- C8 H4 Mo2 N O26 Y -","- C48 H24 Mo12 N6 O156 Y6 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","Synthesis, structures and properties of a series of novel left- and right-handed metal coordination double helicates with chiral channels","Dalton Transactions","2003","","16","3192","","10.1039/b303943a","","","0.71073","MoKα","","","0.0683","","","0.1226","0.1547","","","","","","1.023","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7018519","24.057","0.003","24.057","0.003","26.996","0.005","90","","90","","120","","13530","3","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C51 H29 O10 S Zn2 -","- C51 H29 O10 S Zn2 -","- C306 H174 O60 S6 Zn12 -","6","0.5","","Hauptvogel, Ines Maria; Bon, Volodymyr; Grünker, Ronny; Baburin, Igor A.; Senkovska, Irena; Mueller, Uwe; Kaskel, Stefan","A family of 2D and 3D coordination polymers involving a trigonal tritopic linker.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4172","4179","10.1039/c2dt12072k","","","0.88561","","","0.0524","0.0428","","","0.1086","0.115","","","","","","1.061","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7022866","16.3781","0.0003","16.3781","0.0003","19.1666","0.0002","90","","90","","120","","4452.49","0.12","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0276","0.0257","","","0.0763","0.0775","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022868","16.4751","0.0004","16.4751","0.0004","19.2531","0.0003","90","","90","","120","","4525.72","0.17","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0513","0.0398","","","0.0997","0.1078","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022871","16.5019","0.0005","16.5019","0.0005","19.6449","0.0006","90","","90","","120","","4632.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","","0.71073","MoKα","","0.0637","0.0384","","","0.1076","0.1186","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022873","16.4373","0.0002","16.4373","0.0002","19.2522","0.0002","90","","90","","120","","4504.76","0.09","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0334","0.0286","","","0.08","0.0821","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022884","16.3507","0.0004","16.3507","0.0004","19.1646","0.0006","90","","90","","120","","4437.1","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","Mokα","","0.0433","0.0373","","","0.0949","0.097","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022885","16.3334","0.0003","16.3334","0.0003","19.1661","0.0003","90","","90","","120","","4428.1","0.13","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0412","0.0359","","","0.1011","0.1046","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7044445","18.8053","0.0001","18.8053","0.0001","43.3432","0.0004","90","","90","","120","","13274.3","0.16","45","2","45","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C48 H42 Cr4 Mn2 N16 O49 -","- C48 H40 Cr4 Mn2 N16 O49 -","- C288 H240 Cr24 Mn12 N96 O294 -","6","0.5","","Mon, Marta; Vallejo, Julia; Pasán, Jorge; Fabelo, Oscar; Train, Cyrille; Verdaguer, Michel; Ohkoshi, Shin-ichi; Tokoro, Hiroko; Nakagawa, Kosuke; Pardo, Emilio","A novel oxalate-based three-dimensional coordination polymer showing magnetic ordering and high proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT03415F","","x-ray","0.6691","synchrotron","","0.1301","0.1279","","","0.3485","0.3537","","","","","","1.744","","","","has coordinates","201875","2020-10-21","18:00:00",""
"7044446","18.8053","0.0001","18.8053","0.0001","43.3432","0.0004","90","","90","","120","","13274.3","0.16","45","2","45","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C48 H42 Cr4 Mn2 N16 O49 -","- C27 H5 Cr4 Mn2 N2 O49 -","- C162 H30 Cr24 Mn12 N12 O294 -","6","0.5","","Mon, Marta; Vallejo, Julia; Pasán, Jorge; Fabelo, Oscar; Train, Cyrille; Verdaguer, Michel; Ohkoshi, Shin-ichi; Tokoro, Hiroko; Nakagawa, Kosuke; Pardo, Emilio","A novel oxalate-based three-dimensional coordination polymer showing magnetic ordering and high proton conductivity","Dalton Trans.","2017","","","","","10.1039/C7DT03415F","","x-ray","0.6691","synchrotron","","0.0563","0.054","","","0.1728","0.1765","","","","","","1.048","","","","has coordinates","201875","2020-10-21","18:00:00",""
"7049004","8.9752","0.0002","8.9752","0.0002","57.3894","0.0012","90","","90","","120","","4003.6","0.15","100","2","100","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C18 H28 Cd Cl2 N6 O12 -","- C18 H28 Cd Cl2 N6 O12 -","- C108 H168 Cd6 Cl12 N36 O72 -","6","0.5","","Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.","Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3743","3757","10.1039/c8dt04773a","","","0.71073","MoKα","","0.0272","0.0261","","","0.0571","0.0575","","","","","","1.116","","","","has coordinates","224532","2020-10-21","18:00:00",""
"7050311","14.304","0.001","14.304","0.001","42.791","0.007","90","","90","","120","","7581.9","1.5","294","2","294","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C34 H69 Cl Cr Cu2 N18 O4.5 -","- C34 H68 Cl Cr Cu2 N18 O4.5 -","- C204 H408 Cl6 Cr6 Cu12 N108 O27 -","6","0.5","","Zheng Xu; Song Gao; Xiao-Ping Shen; Gui Yin; Kai-Bei Yu","Crystal structure and magnetic behavior of a three-dimensional cyano-bridged assembly [CuL1]2[Cr(CN)6]ClO4¡Á0.5H2O (L1= 3,10-dipropyl-1,3,5,8,10,12- hexaazacyclotetradecane)","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1425","0.0435","","","0.0797","0.0951","","","","","","0.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050580","12.5721","0.0009","12.5721","0.0009","60.565","0.006","90","","90","","120","","8290.3","1.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","Gd picolinate","","","- C48 H38 Gd2 N8 Na2 O19 -","- C48 H32 Gd2 N8 Na2 O19 -","- C288 H192 Gd12 N48 Na12 O114 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0823","0.0815","","","0.1822","0.1825","","","","","","1.366","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050581","12.6063","0.0006","12.6063","0.0006","60.457","0.004","90","","90","","120","","8320.6","0.8","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","picolinates","","","- C48 H38 Eu2 N8 Na2 O19 -","- C48 H32 Eu2 N8 Na2 O19 -","- C288 H192 Eu12 N48 Na12 O114 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0791","0.0787","","","0.1992","0.1993","","","","","","1.308","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050583","12.7708","0.0007","12.7708","0.0007","62.46","0.005","90","","90","","120","","8822","1","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","(NH4)(TbL4)","","","- C24 H24 N5 O10 Tb -","- C24 H16 N5 O10 Tb -","- C288 H192 N60 O120 Tb12 -","12","1","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0985","0.0982","","","0.2237","0.2239","","","","","","1.344","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050584","12.5245","0.0018","12.5245","0.0018","60.47","0.012","90","","90","","120","","8215","2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","picolinates","","","- C48 H38 Ho2 N8 Na2 O19 -","- C48 H32 Ho2 N8 Na2 O19 -","- C288 H192 Ho12 N48 Na12 O114 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0518","0.0495","","","0.1231","0.1245","","","","","","1.15","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7055519","11.1967","0.0004","11.1967","0.0004","44.0828","0.0016","90","","90","","120","","4786.1","0.3","273","","273","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36.5 H29.5 N3 O7 Zn -","- C36.5 H29.5 N3 O7 Zn -","- C219 H177 N18 O42 Zn6 -","6","0.5","","Tanaka, Koichi; Hotta, Naoki; Nagase, Shohei; Yoza, Kenji","Efficient HPLC enantiomer separation using a pillared homochiral metal‒organic framework as a novel chiral stationary phase","New J. Chem.","2016","40","6","4891","","10.1039/C6NJ00090H","","","1.54178","CuKα","","0.0271","0.0269","","","0.073","0.0731","","","","","","1.106","","","","has coordinates,has disorder","183741","2020-10-21","18:00:00",""
"7101940","12.5611","0.0004","12.5611","0.0004","62.471","0.003","90","","90","","120","","8536.2","0.6","291","2","291","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C44 H66 N16 Ni2 O21 -","- C44 H66 N16 Ni2 O21 -","- C264 H396 N96 Ni12 O126 -","6","0.5","","Wang, Su-Na; Xing, Hang; Li, Yi-Zhi; Bai, Junfeng; Scheer, Manfred; Pan, Yi; You, Xiao-Zeng","Unprecedented interweaving of single-helical and unequal double-helical chains into chiral metal-organic open frameworks with multiwalled tubular structures.","Chemical communications (Cambridge, England)","2007","","22","2293","2295","10.1039/b701186e","","","0.71073","MoKα","","0.056","0.0517","","","0.1409","0.1437","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101941","12.5764","0.0006","12.5764","0.0006","62.941","0.004","90","","90","","120","","8621.3","0.8","291","2","291","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C44 H66 Co2 N16 O21 -","- C44 H66 Co2 N16 O21 -","- C264 H396 Co12 N96 O126 -","6","0.5","","Wang, Su-Na; Xing, Hang; Li, Yi-Zhi; Bai, Junfeng; Scheer, Manfred; Pan, Yi; You, Xiao-Zeng","Unprecedented interweaving of single-helical and unequal double-helical chains into chiral metal-organic open frameworks with multiwalled tubular structures.","Chemical communications (Cambridge, England)","2007","","22","2293","2295","10.1039/b701186e","","","0.71073","MoKα","","0.0542","0.0473","","","0.1179","0.1205","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102950","14.1593","0.0004","14.1593","0.0004","25.3297","0.001","90","","90","","120","","4397.9","0.2","150","1","150","1","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C34 H40 N2 O2 -","- C34 H40 N2 O2 -","- C204 H240 N12 O12 -","6","0.5","","Kim, Hyunwoo; Choi, Doo Seoung; Yen, Cindy Pai-Hui; Lough, Alan J; Song, Choong Eui; Chin, Jik","Diastereoselective diaza-Cope rearrangement reaction.","Chemical communications (Cambridge, England)","2008","","11","1335","1337","10.1039/b716253g","","","0.71073","MoKα","","0.0752","0.0475","","","0.1195","0.1353","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7103049","20.439","0.004","20.439","0.004","16.317","0.004","90","","90","","120","","5903","2","298.1","","","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C34 H38 N2 Na O12 V2 -","- C34 H34 N2 Na O12 V2 -","- C204 H204 N12 Na6 O72 V12 -","6","0.5","","Takizawa, Shinobu; Katayama, Tomomi; Kameyama, Chiaki; Onitsuka, Kiyotaka; Suzuki, Takeyuki; Yanagida, Takeshi; Kawai, Tomoji; Sasai, Hiroaki","Chiral dinuclear vanadium(v) catalysts for oxidative coupling of 2-naphthols.","Chemical communications (Cambridge, England)","2008","","15","1810","1812","10.1039/b717068h","","","0.71069","MoKα","","","0.0641","","","","0.0716","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103669","15.298","0.0002","15.298","0.0002","18.6613","0.0003","90","","90","","120","","3782.2","0.1","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H28 Gd Mo2 N O26 -","- C8 H16 Gd Mo2 N O26 -","- C48 H96 Gd6 Mo12 N6 O156 -","6","0.5","","Wu, Chuan-De; Lu, Can-Zhong; Lin, Xiang; Wu, Ding-Ming; Lu, Shao-Fang; Zhuang, Hong-Hui; Huang, Jin-Shun","A novel left-handed double helicate constructed from L-tartrate bridged molybdenum(VI) and gadolinium(III) atoms","Chemical Communications (Cambridge, United Kingdom)","2003","","11","1284","1285","10.1039/b301542d","","","0.71073","MoKα","","","0.0257","","","0.0597","0.0629","","","","","","1.087","","","","has coordinates","210667","2020-10-21","18:00:00",""
"7103718","11.1741","0.0004","11.1741","0.0004","75.735","0.004","90","","90","","120","","8189.4","0.6","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C30 H45 N O Si -","- C30 H45 N O Si -","- C360 H540 N12 O12 Si12 -","12","1","","Stephen Clark, J.; Myatt, James; Wilson, Claire; Roberts, Lee; Walshe, Nigel","Exploration of the biomimetic synthesis of indole-diterpene mycotoxins: an unexpected cascade reaction during the attempted synthesis of emindole SB","Chemical Communications (Cambridge, United Kingdom)","2003","","13","1546","1547","10.1039/b302105j","","","0.71073","MoKα","","0.1238","0.0906","","","0.2428","0.2628","","","","","","1.011","","","","has coordinates","210645","2020-10-21","18:00:00",""
"7109608","16.6211","0.0003","16.6211","0.0003","77.743","0.003","90","","90","","120","","18599.9","0.9","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C88 H150 Cr7 F8 N3 Ni O32 -","- C88 H150 Cr7 F8 N3 Ni O32 -","- C528 H900 Cr42 F48 N18 Ni6 O192 -","6","0.5","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","0.6933","synchrotron","","0.0878","0.0737","","","0.2","0.211","","","","","","1.036","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7110065","11.2503","0.0001","11.2503","0.0001","59.786","0.0011","90","","90","","120","","6553.27","0.15","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H42 N4 O20 Zn3 -","- C36 H37.5 N4 O20 Zn3 -","- C216 H225 N24 O120 Zn18 -","6","0.5","","Andrew D. Burrows; Monika Jurcic; Luke L. Keenan; Rebecca A. Lane; Mary F. Mahon; Mark R. Warren; Harriott Nowell; Michael Paradowski; John Spencer","Incorporation by coordination and release of the iron chelator drug deferiprone from zinc-based metal-organic frameworks","Chem.Commun.","2013","49","","11260","","10.1039/c3cc45689g","","","0.6889","Synchrotron","","0.0381","0.0345","","","0.0741","0.0758","","","","","","1.006","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7115385","8.7801","0.0005","8.7801","0.0005","43.327","0.002","90","","90","","120","","2892.6","0.3","173","2","173","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C12 H30 Na2 O Zn3 -","- C12 H30 Na2 O Zn3 -","- C72 H180 Na12 O6 Zn18 -","6","0.5","","L. Zane Miller; Michael Shatruka; D. Tyler McQuade","Alkali metal oxides trapped by diethylzinc","Chem.Commun.","2014","50","","8937","","10.1039/C4cc02929A","","","0.71073","MoKα","","0.0257","0.023","","","0.0514","0.0521","","","","","","1.153","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115896","15.9174","0.0015","15.9174","0.0015","44.26","0.006","90","","90","","120","","9711.5","1.8","123","2","123","2","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C45 H43 Ag3 Cl3 F18 N12 O5 Sb3 -","- C45 H43 Ag3 Cl3 F18 N12 O5 Sb3 -","- C270 H258 Ag18 Cl18 F108 N72 O30 Sb18 -","6","0.5","","Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong","A nanoporous Ag(I)-MOF showing unique selective adsorption of benzene among its organic analogues","Chem.Commun.","2014","50","","13672","","10.1039/C4cc03204G","","","0.71073","MoKα","","0.0694","0.0646","","","0.1792","0.1855","","","","","","1.059","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115897","15.825","0.005","15.825","0.005","43.703","0.019","90","","90","","120","","9478","6","173","2","173","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C44 H40 Ag3 F18 N12 O4 Sb3 -","- C44 H40 Ag3 F18 N12 O4 Sb3 -","- C264 H240 Ag18 F108 N72 O24 Sb18 -","6","0.5","","Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong","A nanoporous Ag(I)-MOF showing unique selective adsorption of benzene among its organic analogues","Chem.Commun.","2014","50","","13672","","10.1039/C4cc03204G","","","0.71073","MoKα","","0.0635","0.0507","","","0.1237","0.1304","","","","","","1.027","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7118354","15.9684","0.0005","15.9684","0.0005","33.649","0.004","90","","90","","120","","7430.6","0.9","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","UTSA-67","","- C20 H12 N O5.5 Zn -","- C20 H12 N O5.5 Zn -","- C240 H144 N12 O66 Zn12 -","12","1","","Wen, Hui-Min; Li, Bin; Wang, Hailong; Krishna, Rajamani; Chen, Banglin","High acetylene/ethylene separation in a microporous zinc(ii) metal-organic framework with low binding energy.","Chemical communications (Cambridge, England)","2016","52","6","1166","1169","10.1039/c5cc08210b","","","0.71073","MoKα","","0.1616","0.1139","","","0.2978","0.3341","","","","","","1.07","","","","has coordinates,has disorder","173621","2020-10-21","18:00:00",""
"7121041","15.237","0.002","15.237","0.002","68.672","0.014","90","","90","","120","","13807","4","100","2","100.15","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C61 H116 Cd3 Ge9 K3 N6 O18 P3 -","- C61 H116 Cd3 Ge9 K3 N6 O18 P3 -","- C366 H696 Cd18 Ge54 K18 N36 O108 P18 -","6","0.5","","Mitzinger, Stefan; Bandemehr, Jascha; Reiter, Kevin; Scott McIndoe, J.; Xie, Xiulan; Weigend, Florian; Corrigan, John F.; Dehnen, Stefanie","(Ge<sub>2</sub>P<sub>2</sub>)<sup>2-</sup>: a binary analogue of P<sub>4</sub> as a precursor to the ternary cluster anion [Cd<sub>3</sub>(Ge<sub>3</sub>P)<sub>3</sub>]<sup>3</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1421","1424","10.1039/c7cc08348c","","","0.71073","MoKα","","0.084","0.0733","","","0.1743","0.1796","","","","","","1.123","","","","has coordinates,has disorder","228601","2020-10-21","18:00:00",""
"7125319","23.3854","0.0007","23.3854","0.0007","89.444","0.002","90","","90","","120","","42362","2","150","","150","","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","S-CHDA-FRP-7","","","- C96 H108 N12 -","- C96 H108 N12 -","- C1728 H1944 N216 -","18","1.5","","Zhang, Pei; Wang, Xinchang; Xuan, Wei; Peng, Pixian; Li, Zhihao; Lu, Ruqiang; Wu, Shuang; Tian, Zhongqun; Cao, Xiaoyu","Chiral separation and characterization of triazatruxene-based face-rotating polyhedra: the role of non-covalent facial interactions.","Chemical communications (Cambridge, England)","2018","54","37","4685","4688","10.1039/c8cc02049c","","x-ray","1.54178","CuKα","","0.1154","0.0891","","","0.2366","0.2613","","","","","","1.07","","","","has coordinates,has disorder","236757","2020-10-21","18:00:00",""
"7150183","11.6353","0.001","11.6353","0.001","52.806","0.009","90","","90","","120","","6191.1","1.3","100","","100","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","(R,R) N-(1,2-Diphenyl-2-trifluoromethanesulfonylamino-ethyl)- C,C,C-trifluoro-methanesulfonamide","","- C16 H14 F6 N2 O4 S2 -","- C16 H14 F6 N2 O4 S2 -","- C192 H168 F72 N24 O48 S24 -","12","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.064","","","","0.081","","","","","","1.7","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7152249","10.913","0.002","10.913","0.002","81.73","0.03","90","","90","","120","","8429","4","293","2","293","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H47 O5.5 -","- C360 H564 O66 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","","1.54178","CuKα","","0.0645","0.0504","","","0.1316","0.1504","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152250","10.8602","0.001","10.8602","0.001","81.052","0.01","90","","90","","120","","8278.9","1.5","20","2","20","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H46.73 O5.41 -","- C360 H560.76 O64.92 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","neutron","1.4597","neutron","","0.0879","0.0795","","","0.1934","0.2032","","","","","","1.142","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200473","14.656","0.003","14.656","0.003","16.905","0.002","90","","90","","120","","3144.7","1","293","","293","","","","","","","","hydrothermal synthesis","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C28 H30 Cu6 O27 P4 -","- C28 H32 Cu6 O28 P4 -","- C84 H96 Cu18 O84 P12 -","3","0.25","","Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain","m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials","CrystEngComm","2009","11","4","556","559","10.1039/b816132c","","","0.71069","MoKα","","0.0972","0.0484","","","0.0493","0.0528","","","","1.89","1.89","1.56","","","","has coordinates","218463","2020-10-21","18:00:00",""
"7200656","11.453","0.002","11.453","0.002","36.912","0.004","90","","90","","120","","4193.1","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 N6 Ni O16 -","- C18 H34 N6 Ni O16 -","- C108 H204 N36 Ni6 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0773","0.0512","","","0.115","0.1284","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200657","11.467","0.002","11.467","0.002","36.974","0.003","90","","90","","120","","4210.4","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Cu N6 O16 -","- C18 H34 Cu N6 O16 -","- C108 H204 Cu6 N36 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0734","0.0532","","","0.1324","0.1448","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200810","11.545","0.0001","11.545","0.0001","32.9386","0.0006","90","","90","","120","","3802.1","0.08","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.1088","0.0972","","","0.2189","0.2267","","","","","","1.07","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200814","11.6431","0.0012","11.6431","0.0012","32.956","0.007","90","","90","","120","","3869","1","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0875","0.0713","","","0.1676","0.1793","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200816","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1389","0.1025","","","0.2294","0.2551","","","","","","1.017","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200818","11.5175","0.0008","11.5175","0.0008","33.162","0.004","90","","90","","120","","3809.7","0.6","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0956","0.0854","","","0.1982","0.2066","","","","","","1.05","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200820","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","123","2","123","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0945","0.0669","","","0.1603","0.1716","","","","","","1.087","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7207910","16.5428","0.0004","16.5428","0.0004","24.3988","0.0015","90","","90","","120","","5782.5","0.4","296","2","296","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C27 H15 La O7 -","- C27 H15 La O7 -","- C162 H90 La6 O42 -","6","0.5","","Mu, Bin; Li, Feng; Huang, Yougui; Walton, Krista S.","Breathing effects of CO2 adsorption on a flexible 3D lanthanide metal‒organic framework","Journal of Materials Chemistry","2012","22","20","10172","","10.1039/c2jm15721g","","","1.54178","CuKα","","0.0565","0.055","","","0.1508","0.1522","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7223613","16.5272","0.0005","16.5272","0.0005","12.7024","0.0005","90","","90","","120","","3004.8","0.17","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","1.54184","CuKα","","0.0557","0.0467","","","0.1433","0.1525","","","","","","1.112","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7238486","23.9581","0.0009","23.9581","0.0009","29.2285","0.0014","90","","90","","120","","14529.2","1","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C83 H123 N13 O20 Zn -","- C45 O8 Zn -","- C270 O48 Zn6 -","6","0.5","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.1937","0.0752","","","0.1767","0.1836","","","","","","1.017","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7239963","27.838","0.0016","27.838","0.0016","28.8132","0.0008","90","","90","","120","","19337.4","1.7","100","2","100","2","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C216 H414 Br18 N72 O324 Rh24 S72 Zn24 -","6","0.5","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0669","0.0428","","","0.0952","0.1012","","","","","","0.854","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7247888","18.8181","0.0008","18.8181","0.0008","23.6351","0.0007","90","","90","","120","","7248.4","0.5","150","0.1","150","0.1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H18 Cu N4 O9 -","- C20 H12 Cu N4 O9 -","- C120 H72 Cu6 N24 O54 -","6","0.5","","Dai, Wen; Zhang, Chuanming; Yang, Xiaoang; Li, Lincai","Highly efficient iodine uptake and iodate selective probe in a 3D honeycomb-like copper–organic framework based on in situ ligand transformation","CrystEngComm","2024","26","6","773","782","10.1039/D3CE01169K","","x-ray","1.54184","CuKα","","0.0649","0.0527","","","0.1432","0.1527","","","","","","1.071","","","","has coordinates","290144","2024-03-04","20:07:33",""
"7702202","13.472","0.0003","13.472","0.0003","100.2746","0.0019","90","","90","","120","","15761.1","0.6","100","2","99.99","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C38 H24 Cd N6 O4 -","- C38 H24 Cd N6 O4 -","- C456 H288 Cd12 N72 O48 -","12","1","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","1.54178","CuKα","","0.0614","0.055","","","0.1415","0.1458","","","","","","1.037","","","","has coordinates,has disorder","236845","2020-10-21","18:00:00",""
"7711579","9.705","0.00007","9.705","0.00007","58.1123","0.0007","90","","90","","120","","4740.12","0.07","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C22 H40 Ag N2 O8 Rb S4 -","- C22 H40 Ag N2 O8 Rb S4 -","- C132 H240 Ag6 N12 O48 Rb6 S24 -","6","0.5","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.0287","0.0274","","","0.0672","0.0677","","","","","","1.125","","","","has coordinates","278839","2022-10-27","22:54:12",""
"7711583","9.656","0.002","9.656","0.002","57.87","0.02","90","","90","","120","","4673","2","173","2","173","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C22 H40 Ag K N2 O8 S4 -","- C22 H40 Ag K N2 O8 S4 -","- C132 H240 Ag6 K6 N12 O48 S24 -","6","0.5","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.0666","0.0648","","","0.1479","0.1488","","","","","","1.336","","","","has coordinates,has disorder","278839","2022-10-27","22:54:22",""
"8102608","9.0866","0.0013","9.0866","0.0013","67.938","0.014","90","","90","","120","","4857.9","1.4","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","trikis(tetramethylammonium) bis(bis(μ~2~- sulfido)-dithioxo-molybdenum(VI))-copper(I)","","- C12 H36 Cu Mo2 N3 S8 -","- C12 H36 Cu Mo2 N3 S8 -","- C72 H216 Cu6 Mo12 N18 S48 -","6","0.5","","Yuan Cao; Guosheng Cheng; Yulin Chen; Guozhu Shen","Crystal structure of tris(tetramethylammonium) tetrakis(m2-sulfido)-tetrasulfidocopper(I)-dimolybdenum(VI), [N(CH3)4]3[CuMo2S8]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","111","","","","","0.71073","MoKα","","0.0455","0.04","","","0.1072","0.1177","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102984","9.5091","0.0004","9.5091","0.0004","15.7342","0.001","90","","90","","120","","1232.12","0.11","293","2","295.15","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","hemicalcium diaquairon(II) catena-(monoboro-diphosphate) monohydrate","","- B Ca0.5 Fe H6 O11 P2 -","- B Ca0.5 Fe H4 O11 P2 -","- B6 Ca3 Fe6 H24 O66 P12 -","6","0.5","","Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep","Crystal structure of hemicalcium diaquairon(II) catena-(monoboro-diphosphate) monohydrate, Ca0.5Fe(H2O)2[BP2O8] · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","9","","","","x-ray","0.71073","MoKα","","","0.0374","","","","0.0895","","","","","","1.215","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102997","9.4343","0.0003","9.4343","0.0003","15.728","0.0008","90","","90","","120","","1212.34","0.08","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- B Co H6 Li O11 P2 -","- B Co H2 Li O11 P2 -","- B6 Co6 H12 Li6 O66 P12 -","6","0.5","","Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep","Crystal structure of lithium diaquacobalt(II) catena- monoboro-diphosphate monohydrate, LiCo(H2O)2[BP2O8] · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","333","","","","","0.71073","MoKα","","","0.029","","","","0.0805","","","","","","1.188","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103306","9.683","0.004","9.683","0.004","16.139","0.006","90","","90","","120","","1310.5","0.9","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- B H6 K Mn O11 P2 -","- B H6 K Mn O11 P2 -","- B6 H36 K6 Mn6 O66 P12 -","6","0.5","","Ming-Zhen Wang","Crystal structure of potassium diaquamanganese(II) borophosphate monohydrate, K[Mn(H2O)2(BP2O8)] · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","3","","","","","0.71073","MoKα","","0.0604","0.0566","","","0.1754","0.1817","","","","","","1.006","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8106793","11.0161","0.0004","11.0161","0.0004","33.1459","0.0008","90","","90","","120","","3483.5","0.2","295","2","295","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H24 N2 Ni O6 -","- C26 H24 N2 Ni O6 -","- C156 H144 N12 Ni6 O36 -","6","0.5","","Zhao, Cheng-Liang; Zhang, Heng-Qiang; Jin, Ying; Song, You-Xin; Meng, Xiang-Wei","Crystal structure of bis(2-hydroxy-2-phenylacetato-κ 2 O,O′)bis(pyridine-κ N)nickel(II), C26H24N2NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","87","88","10.1515/ncrs-2015-0037","","","0.71073","MoKα","","0.0432","0.0351","","","0.067","0.0697","","","","","","1.081","","","","has coordinates","281207","2023-03-01","09:35:25",""
"9013565","7.29","","7.29","","25.302","","90","","90","","120","","1164.5","","","","","","","","","","","","theoretical","3","P 65 2 2","P 65 2 (0 0 1)","179","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C18 Ca18 O54 -","18","1.5","","Wang, J.; Becker, U.","Structure and carbonate orientation of vaterite (CaCO3) Note: Coordinates corrected by Wang, Sept, 2009","American Mineralogist","2009","94","","380","386","10.2138/am.2009.2939","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""