# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T00:29:18+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/m c m' 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
"1509333","4.9949","","4.9949","","9.6051","","90","","90","","90","","239.638","","","","","","","","","","","","","3","P 42/m c m","-P 4c 2c","132","","Ag (Ta F6)","","- Ag F6 Ta -","- Ag F6 Ta -","- Ag2 F12 Ta2 -","2","0.125","","Matsumoto, K.; Hagiwara, R.; Tamada, O.; Ito, Y.","Crystal structures of Ag A F6 (A = P, As, Sb, Nb, Ta) at ambient temperatures","Journal of Fluorine Chemistry","2001","110","","117","122","10.1016/S0022-1139(01)00418-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518744","11.5382","0.0014","11.5382","0.0014","25.813","0.003","90","","90","","90","","3436.5","0.7","223","2","223","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C32 H30 N8 O5 Zn4 -","- C32 H30 N8 O5 Zn4 -","- C64 H60 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","0.71073","MoKα","","0.0628","0.0524","","","0.1545","0.1609","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518745","11.517","0.003","11.517","0.003","34.474","0.011","90","","90","","90","","4573","2","273","2","273","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C34 H32 N8 O5 Zn4 -","- C34 H32 N8 O5 Zn4 -","- C68 H64 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","1.54178","CuKα","","0.0814","0.0748","","","0.1927","0.1958","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1533682","7.8331","","7.8331","","12.0074","","90","","90","","90","","736.744","","","","","","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","H0.5 Na (Nb0.5 Ti1.5) O3 (Si O4) (H2 O)2","","- H4.5 Na Nb0.5 O9 Si Ti1.5 -","- Na Nb0.5 O9 Si Ti1.5 -","- Na4 Nb2 O36 Si4 Ti6 -","4","0.25","","Tripathi, A.; Medvedev, D.G.; Nyman, M.; Clearfield, A.","Selectivity for Cs and Sr in Nb-substituted titanosilicate with sitinakite topology","Journal of Solid State Chemistry","2003","175","","72","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533685","7.8339","","7.8339","","12.0339","","90","","90","","90","","738.52","","","","","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","Cs0.04 H0.46 Na (Nb0.5 Ti1.5) O3 (Si O4) (H2 O)2","","- Cs0.04 H4.46 Na Nb0.5 O9 Si Ti1.5 -","- Cs0.04 Na Nb0.5 O9 Si Ti1.5 -","- Cs0.16 Na4 Nb2 O36 Si4 Ti6 -","4","0.25","","Tripathi, A.; Medvedev, D.G.; Clearfield, A.; Nyman, M.","Selectivity for Cs and Sr in Nb-substituted titanosilicate with sitinakite topology","Journal of Solid State Chemistry","2003","175","","72","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533688","7.8397","","7.8397","","12.0321","","90","","90","","90","","739.504","","","","","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","Cs0.25 H0.25 Na (Nb0.5 Ti1.5) O3 (Si O4) (H2 O)","","- Cs0.25 H2.25 Na Nb0.5 O8 Si Ti1.5 -","- Cs0.25 Na Nb0.5 O8 Si Ti1.5 -","- Cs Na4 Nb2 O32 Si4 Ti6 -","4","0.25","","Tripathi, A.; Medvedev, D.G.; Nyman, M.; Clearfield, A.","Selectivity for Cs and Sr in Nb-substituted titanosilicate with sitinakite topology","Journal of Solid State Chemistry","2003","175","","72","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533690","7.869","","7.869","","12.089","","90","","90","","90","","748.565","","","","","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","Cs0.33 H0.17 Na (Nb0.5 Ti1.5) O3 (Si O4) (H2 O)2","","- Cs0.33 H4.17 Na Nb0.5 O9 Si Ti1.5 -","- Cs0.33 Na Nb0.5 O9 Si Ti1.5 -","- Cs1.32 Na4 Nb2 O36 Si4 Ti6 -","4","0.25","","Tripathi, A.; Medvedev, D.G.; Nyman, M.; Clearfield, A.","Selectivity for Cs and Sr in Nb-substituted titanosilicate with sitinakite topology","Journal of Solid State Chemistry","2003","175","","72","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533694","7.8463","","7.8463","","11.9985","","90","","90","","90","","738.681","","","","","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","Sr0.197 Na0.737 H0.37 (Nb0.5 Ti1.5) O3 (Si O4) (H2 O)","","- H2.37 Na0.737 Nb0.5 O8 Si Sr0.197 Ti1.5 -","- Na0.737 Nb0.5 O8 Si Sr0.197 Ti1.5 -","- Na2.948 Nb2 O32 Si4 Sr0.788 Ti6 -","4","0.25","","Tripathi, A.; Medvedev, D.G.; Nyman, M.; Clearfield, A.","Selectivity for Cs and Sr in Nb-substituted titanosilicate with sitinakite topology","Journal of Solid State Chemistry","2003","175","","72","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1569791","15.9991","0.0004","15.9991","0.0004","18.5546","0.0012","90","","90","","90","","4749.4","0.4","150","","150","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","","","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C168 H188 Ag8 N4 O20 S16 Ti4 -","2","0.125","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0823","0.0457","","","0.117","0.1339","","","","","","1.051","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"4108256","7.8258","0.0004","7.8258","0.0004","11.981","0.001","90","","90","","90","","733.75","0.08","","","25","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","crystalline silicotitanate hydrate","","Sitinakite","- Cs1.44 H6.56 O32 Si4 Ti8 -","- Cs1.464 O32 Si4 Ti8 -","- Cs1.464 O32 Si4 Ti8 -","1","0.0625","","Aaron J. Celestian; James D. Kubicki; Jonathon Hanson; Abraham Clearfield; John B. Parise","The Mechanism Responsible for Extraordinary Cs Ion Selectivity in Crystalline Silicotitanate","Journal of the American Chemical Society","2008","130","","11689","11694","10.1021/ja801134a","powder diffraction","x-ray","0.92223","Monochromatic","","","","","","","","","6.5","4.19","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304561","11.5228","0.0004","11.5228","0.0004","25.7692","0.0019","90","","90","","90","","3421.5","0.3","293","2","293","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C40 H68 N12 O15 Zn4 -","- C40 H60 N12 O15 Zn4 -","- C80 H120 N24 O30 Zn8 -","2","0.125","","Lei Hou; Yan-Yong Lin; Xiao-Ming Chen","Porous Metal-Organic Framework Based on μ4-oxo Tetrazinc Clusters: Sorption and Guest-Dependent Luminescent Properties","Inorganic Chemistry","2008","47","","1346","1351","10.1021/ic702085x","","","0.71073","MoKα","","0.0566","0.0496","","","0.1442","0.1492","","","","","","1.114","","","","has coordinates,has disorder","179083","2020-10-21","18:00:00",""
"4306901","7.86023","0.00014","7.86023","","11.9051","0.0004","90","","90","","90","","735.54","0.03","","","","","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","","","- Cs0.38 D2.8 H0.83 O8 Si Ti2 -","- Cs0.375 D2.795 H0.83 O8 Si Ti2 -","- Cs1.5 D11.18 H3.32 O32 Si4 Ti8 -","4","0.25","","Aaron J. Celestian; John B. Parise; Ronald I. Smith; Brian H. Toby; Abraham Clearfield","Role of the Hydroxyl-Water Hydrogen-Bond Network in Structural Transitions and Selectivity toward Cesium in Cs0.38(D1.08H0.54)SiTi2O7.(D0.86H0.14)2O Crystalline Silicotitanate","Inorganic Chemistry","2007","46","","1081","1089","10.1021/ic0611387","powder diffraction","","","","","","","","","","","","","2.53","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319681","5.6046","0.0004","5.6046","0.0004","13.1541","0.0013","90","","90","","90","","413.19","0.06","153","2","153","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- Cu2 Rb2 S4 Ti -","- Cu2 Rb2 S4 Ti -","- Cu4 Rb4 S8 Ti2 -","2","0.125","","Fu Qiang Huang; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical Properties of K2TiCu2S4, Rb2TiCu2S4, Rb2TiAg2S4, Cs2TiAg2S4, and Cs2TiCu2Se4","Inorganic Chemistry","2001","40","","2602","2607","10.1021/ic001346d","","","0.71073","MoKα","","0.0227","0.022","","","0.0708","0.0711","","","","","","1.512","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319682","6.0242","0.0013","6.0242","0.0013","13.566","0.004","90","","90","","90","","492.3","0.2","153","2","153","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- Ag2 Cs2 S4 Ti -","- Ag2 Cs2 S4 Ti -","- Ag4 Cs4 S8 Ti2 -","2","0.125","","Fu Qiang Huang; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical Properties of K2TiCu2S4, Rb2TiCu2S4, Rb2TiAg2S4, Cs2TiAg2S4, and Cs2TiCu2Se4","Inorganic Chemistry","2001","40","","2602","2607","10.1021/ic001346d","","","0.71073","MoKα","","0.0273","0.0266","","","0.0702","0.0705","","","","","","1.369","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319683","5.852","0.002","5.852","0.002","14.234","0.005","90","","90","","90","","487.5","0.3","153","2","153","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- Cs2 Cu2 Se4 Ti -","- Cs2 Cu2 Se4 Ti -","- Cs4 Cu4 Se8 Ti2 -","2","0.125","","Fu Qiang Huang; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical Properties of K2TiCu2S4, Rb2TiCu2S4, Rb2TiAg2S4, Cs2TiAg2S4, and Cs2TiCu2Se4","Inorganic Chemistry","2001","40","","2602","2607","10.1021/ic001346d","","","0.71073","MoKα","","0.0362","0.0333","","","0.0922","0.0935","","","","","","1.63","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4335398","7.7621","0.0011","7.7621","0.0011","9.691","0.003","90","","90","","90","","583.9","0.2","296","2","296","2","","","","","","","","3","P 42/m c m","-P 4c 2c","132","","","","- P0.67 S3 U0.33 -","- P0.666667 S3 U0.333333 -","- P4 S18 U2 -","6","0.375","","Jean-Marie Babo; Laurent Jouffret; Jian Lin; Eric M. Villa; Thomas E. Albrecht-Schmitt","Synthesis, Structure, and Spectroscopy of Two Ternary Uranium(IV) Thiophosphates: UP2S9 and UP2S7 Containing P2S92- and P2S72- Ligands","Inorganic Chemistry","2013","52","","7747","7751","10.1021/ic400942r","","","0.71073","MoKα","","0.0207","0.0139","","","0.0245","0.0259","","","","","","1.103","","","","has coordinates","179456","2020-10-21","18:00:00",""
"7043308","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","compound 1","","- C38 H26 Co2 N2 O9 Si -","- C38 H26.08 Co2 N2 O9 Si -","- C76 H52.16 Co4 N4 O18 Si2 -","2","0.125","","Yang, Xiaowei; Zhang, Yuan; Li, Feng; Guo, Tiantian; Wu, Yong; Jin, Fengyan; Fang, Min; Lan, Yaqian; Li, Yafei; Zhou, Yong; Zou, Zhigang","Theoretical and experimental studies on three water-stable, isostructural, paddlewheel based semiconducting metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT01560G","","","0.71073","MoKα","","0.0538","0.047","","","0.1628","0.1671","","","","","","1.042","","","","has coordinates,has disorder","197789","2020-10-21","18:00:00",""
"7043309","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Yang, Xiaowei; Zhang, Yuan; Li, Feng; Guo, Tiantian; Wu, Yong; Jin, Fengyan; Fang, Min; Lan, Yaqian; Li, Yafei; Zhou, Yong; Zou, Zhigang","Theoretical and experimental studies on three water-stable, isostructural, paddlewheel based semiconducting metal‒organic frameworks","Dalton Trans.","2017","","","","","10.1039/C7DT01560G","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","197789","2020-10-21","18:00:00",""
"7048187","9.6299","0.0005","9.6299","0.0005","21.8959","0.0012","90","","90","","90","","2030.52","0.19","100","2","100","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","","","- C39.5 H29.5 Co2 N2.5 O9.5 Si -","- C38 H24 Co2 N2 O8 Si -","- C76 H48 Co4 N4 O16 Si2 -","2","0.125","","Gupta, Vijay; Mandal, Sanjay K.","A robust and water-stable two-fold interpenetrated metal-organic framework containing both rigid tetrapodal carboxylate and rigid bifunctional nitrogen linkers exhibiting selective CO<sub>2</sub> capture.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","415","425","10.1039/c8dt03844a","","x-ray","0.71073","MoKα","","0.0766","0.0669","","","0.1589","0.1641","","","","","","1.141","","","","has coordinates,has disorder","224140","2020-10-21","18:00:00",""
"7118356","12.6261","0.0005","12.6261","0.0005","29.234","0.003","90","","90","","90","","4660.4","0.5","173","2","173","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","InOF-14","","- C4.5 H1.5 Eu0.25 In0.25 O4 -","- C4.5 H1.5 Eu0.25 In0.25 O4 -","- C72 H24 Eu4 In4 O64 -","16","1","","Qian, Jinjie; Li, Qipeng; Liang, Linfeng; Yang, Yan; Cao, Zhen; Yu, Panpan; Huang, Shaoming; Hong, Maochun","A photoluminescent indium-organic framework with discrete cages and one-dimensional channels for gas adsorption.","Chemical communications (Cambridge, England)","2016","52","58","9032","9035","10.1039/c5cc10359b","","","1.54184","CuKα","","0.0827","0.0704","","","0.2129","0.2242","","","","","","1.088","","","","has coordinates","185100","2020-10-21","18:00:00",""
"7127639","24.4515","0.001","24.4515","0.001","37.034","0.003","90","","90","","90","","22142","2","293","2","293","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C210 H352 Mo12 N16 O82 -","- C76 H36 Mo12 N2 O78 -","- C304 H144 Mo48 N8 O312 -","4","0.25","","Wang, Xin-Ying; Chen, Wei-Chao; Shao, Kui-Zhan; Wang, Xin-Long; Zhao, Liang; Su, Zhong-Min","An octahedral polyoxomolybdate-organic molecular cage.","Chemical communications (Cambridge, England)","2021","57","8","1042","1045","10.1039/d0cc07120j","","","0.71073","MoKα","","0.0781","0.0595","","","0.1761","0.2052","","","","","","1.015","","","","has coordinates","261531","2021-02-04","22:30:23",""
"7127640","24.1759","0.0006","24.1759","0.0006","36.5135","0.0018","90","","90","","90","","21341.2","1.3","173","2","173","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","","","- C72 H56 Cl10 Cs22 Mo12 O94 -","- C72 H24 Cl3 Cs8.75 Mo12 O87.5 -","- C288 H96 Cl12 Cs35 Mo48 O350 -","4","0.25","","Wang, Xin-Ying; Chen, Wei-Chao; Shao, Kui-Zhan; Wang, Xin-Long; Zhao, Liang; Su, Zhong-Min","An octahedral polyoxomolybdate-organic molecular cage.","Chemical communications (Cambridge, England)","2021","57","8","1042","1045","10.1039/d0cc07120j","","","0.71073","MoKα","","0.091","0.0777","","","0.2308","0.2541","","","","","","1.036","","","","has coordinates,has disorder","261531","2021-02-04","22:30:23",""
"7131491","16.4434","0.0013","16.4434","0.0013","29.878","0.002","90","","90","","90","","8078.6","1.1","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C52 H68 N12 O25 Th3 -","- C34 H26 N6 O19 Th3 -","- C136 H104 N24 O76 Th12 -","4","0.25","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0577","0.0548","","","0.1416","0.1437","","","","","","1.045","","","","has coordinates,has disorder","283029","2023-05-05","00:07:30",""
"7131492","16.037","0.003","16.037","0.003","30.899","0.008","90","","90","","90","","7947","3","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C43 H42 N9 O21 Th3 -","- C37 H28 N7 O19 Th3 -","- C148 H112 N28 O76 Th12 -","4","0.25","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0661","0.0519","","","0.16","0.1735","","","","","","1.065","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7131493","16.1705","0.0012","16.1705","0.0012","30.701","0.003","90","","90","","90","","8027.9","1.2","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C169 H159 N33 O83 Th12 -","- C148 H110 N26 O76 Th12 -","- C148 H110 N26 O76 Th12 -","1","0.0625","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0386","0.0314","","","0.1008","0.1064","","","","","","1.099","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7131494","15.939","0.002","15.939","0.002","30.91","0.005","90","","90","","90","","7852.7","1.9","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C85 H89 N17 O46 Th6 -","- C73 H53 N13 O38 Th6 -","- C146 H106 N26 O76 Th12 -","2","0.125","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.0651","0.0508","","","0.1528","0.1718","","","","","","1.046","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7131495","15.9061","0.0017","15.9061","0.0017","30.979","0.003","90","","90","","90","","7837.8","1.4","120","","120","","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C46 H48 N9 O22 Th3 -","- C37 H27 N6 O19 Th3 -","- C148 H108 N24 O76 Th12 -","4","0.25","","Li, Zi-Jian; Ju, Yu; Qiu, Jie; Zhang, Zhi-Hui; Zhang, Linjuan; He, Ming-Yang; Wang, Jian-Qiang; Lin, Jian","Post-synthetic linker installation: an unprecedented strategy to enhance iodine adsorption in metal-organic frameworks.","Chemical communications (Cambridge, England)","2023","59","33","4958","4961","10.1039/d3cc00278k","","","0.71073","MoKα","","0.105","0.061","","","0.1817","0.2106","","","","","","1.042","","","","has coordinates,has disorder","283029","2023-05-05","00:07:31",""
"7201309","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((CH3)4N) Nd (C12H8N2)2 (C28H20S4O16) 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.999 O16 S4 -","- C224 H128 N20 Nd3.996 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.086","0.0691","","","0.212","0.2238","","","","","","1.084","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201310","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","185","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((C2H5)4N) Eu (C12H8N2)2 (C28H20S4O16) 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O16 S4 -","- C240 H128 Eu4 N20 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.078","0.0629","","","0.2064","0.2178","","","","","","1.168","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201311","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(CH3)4N] Nd [C12H8N2]2 [C28H20S4O16] 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.998 O19.5 S4 -","- C224 H128 N20 Nd3.992 O78 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1514","0.1259","","","0.3533","0.3685","","","","","","1.135","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201312","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","184","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(C2H5)4N] Eu [C12H8N2]2 [C28H20S4O16] 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O21 S4 -","- C240 H128 Eu4 N20 O84 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1129","0.0926","","","0.3401","0.3644","","","","","","1.551","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7211956","5.2629","0.0015","5.2629","0.0015","12.987","0.008","90","","90","","90","","359.7","0.3","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0904","0.0512","","","0.1238","0.1352","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211957","5.3718","0.0003","5.3718","0.0003","13.4271","0.0017","90","","90","","90","","387.46","0.06","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pd Zn -","- C4 N4 Pd Zn -","- C8 N8 Pd2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0585","0.0469","","","0.1279","0.134","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211958","5.3592","0.0004","5.3592","0.0004","13.455","0.002","90","","90","","90","","386.44","0.07","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pt Zn -","- C4 N4 Pt Zn -","- C8 N8 Pt2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0326","0.0264","","","0.0856","0.0916","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7221591","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"9011909","7.819","","7.819","","12.099","","90","","90","","90","","739.694","","","","","","","","","","","","Khibinskii alkaline massif, Russia","7","P 42/m c m","-P 4c 2c","132","","","Sitinakite","- H26 K0.69 Na2.11 Nb0.2 O17.69 Si2 Ti3.8 -","- H7.3808 K0.6902 Na2.11 Nb0.2 O17.6904 Si2 Ti3.8 -","- H14.7616 K1.3804 Na4.22 Nb0.4 O35.3808 Si4 Ti7.6 -","2","0.125","","Sokolova, E. V.; Rastsvetaeva, R. K.; Andrianov, V. I.; Egorov-Tismenko Y K; Men'shikov, Y. P.","The crystal structure of a new sodium titanosilicate","Soviet Physics Doklady","1989","34","","583","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9016099","7.8099","","7.8099","","11.956","","90","","90","","90","","729.251","","","","","","","","","","","","Synthetic","5","P 42/m c m","-P 4c 2c","132","","","Sitinakite","- D4 Na3 O10 Si Ti2 -","- D4 Na3 O10 Si Ti2 -","- D16 Na12 O40 Si4 Ti8 -","4","0.25","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016155","7.88","","7.88","","11.953","","90","","90","","90","","742.214","","","","","","","","","","","","Synthetic","5","P 42/m c m","-P 4c 2c","132","","","Sitinakite","- D4 Na O9 Si Ti2 -","- D4 Na O9 Si Ti2 -","- D16 Na4 O36 Si4 Ti8 -","4","0.25","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""