# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T12:37:24+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 2/m 1' 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
"1001173","13.991","0.003","3.765","0.0005","8.561","0.001","90","","114.22","0.01","90","","411.3","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Rubidium diphosphorus hexatungsten oxide (.5/2/6/22)","","- O22 P2 Rb0.45 W6 -","- O22 P2 Rb0.45 W6 -","- O22 P2 Rb0.45 W6 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P; Raveau, B","Bronzes with a Tunnel Structure Rb~x~ P~8~ W~8n~ O~24n+16~. II. The Third Term of the Series: Rb~x~ P~8~ W~24~ O~88~","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1163","1166","10.1107/S0567740881005426","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001678","18.31819","0.0013","3.7828","0.0004","14.028","0.0016","90","","115.211","0.0006","90","","879.5","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","Tungsten oxide (18/49)","","- O49 W18 -","- O49 W18 -","- O49 W18 -","1","0.25","","Lamire, M; Labbe, P; Goreaud, M; Raveau, B","Refinement et nouvelle analyse de la structure de W18 O49","Revue de Chimie Minerale","1987","24","","369","381","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008266","4.714","0.002","2.837","0.002","4.714","0.003","90","","97.14","0.09","90","","62.6","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","IRON MANGANESE TITANIUM DEUTERIDE (0.9/0.1/1/1.7) - $-GAMMA","","- D1.69 Fe0.9 Mn0.1 Ti -","- D1.685 Fe0.9 Mn0.1 Ti -","- D3.37 Fe1.8 Mn0.2 Ti2 -","2","0.5","","Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R","Structural and activation process studies of Fe-Ti-like hydride compounds","Journal of the Less-Common Metals","1980","74","","55","63","10.1016/0022-5088(80)90073-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010770","18.03","0.03","4.04","0.02","17.53","0.03","90","","94.48","0.5","90","","1273","","","","","","","","","","","","from Falun, Sweden","4","P 1 2/m 1","-P 2y","10","","Lead bismuth selenidesulfide (2/4/3/3)","Weibullite","- Bi4 Pb2 S5 Se3 -","","","","","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010790","12.48","","7.55","","7.34","","90","","78.18","","90","","676.9","","","","","","","","","","","","from Cogne, Val d'Aosta, Italy","3","P 1 2/m 1","-P 2y","10","","Magnesium carbonate pentahydrate","Lansfordite","- H10 Mg O8 -","","","1","0.25","","Fenoglio, M; Millosevich, F","Ricerche sui carbonati naturali neutri e basici di magnesio idrati.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1936","24","","219","222","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1509477","3.9286","","3.9259","","3.9302","","90","","90.49","","90","","60.614","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Ag (Nb0.5 Ta0.5) O3","","- Ag Nb0.5 O3 Ta0.5 -","- Ag Nb0.5 O3 Ta0.5 -","- Ag Nb0.5 O3 Ta0.5 -","1","0.25","","Suvorov, D.; Valant, M.","New high-permittivity Ag Nb1-x Tax O3 microwave ceramics: Part I: crystal structures and phase-decomposition relations","Journal of the American Ceramic Society","1999","82","","81","87","10.1111/j.1151-2916.1999.tb01726.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510327","11.695","","4.828","","11.719","","90","","107.09","","90","","632.478","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","Zr Au","","- Au Zr -","- Au Zr -","- Au16 Zr16 -","16","4","","Valmalette, J.C.; Moreau, J.M.; Ait Chaou, A.; Soubeyroux, J.L.; Galez, P.; Lomello-Tafin, M.; Isa, M.; Jourdan, J.","Neutron powder diffraction study of the crystal structures of Zr Au","Journal of Alloys Compd.","2004","373","","16","27","10.1016/j.jallcom.2003.10.056","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511154","10.681","","3.094","","5.433","","90","","94.15","","90","","179.074","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","Sn.225 Fe.575 Fe1.465 Mg.735 (B O3) O2","","- B Fe2.04 Mg0.735 O5 Sn0.225 -","- B Fe2.04 Mg0.735 O5 Sn0.225 -","- B2 Fe4.08 Mg1.47 O10 Sn0.45 -","2","0.5","","Simonov, M.A.; Yamnova, N.A.; Belov, N.V.","The distribution of the cations Sn, Fe3+, Fe2+, Mg in the crystal structure of Hulsite","Doklady Akademii Nauk SSSR","1978","238","","1094","1097","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511157","10.681","","3.094","","5.433","","90","","94.15","","90","","179.074","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Fe3 (B O3) O2","","- B Fe3 O5 -","- B Fe3 O5 -","- B2 Fe6 O10 -","2","0.5","","Yamnova, N.A.; Simonov, M.A.; Belov, N.V.","Crystal structure of Fe-Mg borate Hulsite ((Fe2+), Mg, (Fe3+), Sn)3 B O3 O2","Kristallografiya","1975","20","","156","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511514","8.4859","","3.0001","","9.9833","","90","","90.01","","90","","254.16","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Ru5 Sc2 B4","","- B4 Ru5 Sc2 -","- B4 Ru4.95 Sc2 -","- B8 Ru9.9 Sc4 -","2","0.5","","Rogl, P.","The crystal structure of Sc2 Ru5 B4","Journal of Solid State Chemistry","1984","55","","262","269","10.1016/0022-4596(84)90276-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519407","17.6073","0.0006","17.0188","0.0007","25.0871","0.001","90","","101.722","0.002","90","","7360.7","0.5","110","2","110","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","PCN-22","","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","1","0.25","","Yuan, Shuai; Liu, Tian-Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying-Pin; Bosch, Mathieu; Zou, Lanfang; Teat, Simon J.; Dalgarno, Scott J.; Zhou, Hong-Cai","A single crystalline porphyrinic titanium metal‒organic framework","Chem. Sci.","2015","6","7","3926","","10.1039/C5SC00916B","","","0.71073","MoKα","","0.1262","0.0953","","","0.2222","0.2321","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521124","4.506","","2.899","","4.617","","90","","91.79","","90","","60.282","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","V O2","","- O2 V -","- O2 V -","- O4 V2 -","2","0.5","","Galy, J.; Miehe, G.","Ab initio structures of (M2) and (M3) V O2","Solid State Sciences","1999","1","","433","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522392","5.371","","2.725","","7.558","","90","","91.09","","90","","110.599","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","","","- Li2.74 Pd5.26 -","- Li2.74 Pd5.26 -","- Li2.74 Pd5.26 -","1","0.25","","Loebich, O.; Wopersnow, W.","Zur Struktur der intermetallischen Verbindung Li Pd2","Journal of the Less-Common Metals","1979","63","","P83","P88","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522784","20.25","","2.806","","4.772","","90","","90.53","","90","","271.141","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","(Nb3 Rh5)1.125","","- Nb3.375 Rh5.625 -","- Nb3.375 Rh5.625 -","- Nb6.75 Rh11.25 -","2","0.5","","Ritter, D.L.; Giessen, B.C.; Grant, N.J.","The niobium(columbium)-rhodium binary system. II. Crystal structure relationships","Transactions of the Metallurgical Society of Aime","1964","230","","1259","1267","","","","","","","","","","","","","","","","","","","","","","has coordinates","143064","2020-10-21","18:00:00",""
"1523424","6.1","","3.669","","6.2","","90","","90","","90","","138.762","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Ti Zr Se4","","- Se4 Ti Zr -","- Se4 Ti Zr -","- Se4 Ti Zr -","1","0.25","","Cybulski, Z. A.","Ternary and quaternary selenide compounds M^I^TiZrSe~4~ (M^I^ = Li, Ag)","Materials Science Forum","1992","","","159","164","10.4028/www.scientific.net/MSF.91-93.159","","","","","","","","","","","","","","","","","","","","","has coordinates","182026","2020-10-21","18:00:00",""
"1525210","4.706","","2.8347","","4.697","","90","","96.93","","90","","62.201","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Fe Ti D1.73","","- D1.73 Fe Ti -","- D1.73 Fe Ti -","- D3.46 Fe2 Ti2 -","2","0.5","","Schefer, J.; Schlapbach, L.; Fischer, P.; Haelg, W.; Stucki, F.; Andresen, A.F.","Structural phase transitions of Fe Ti - deuterides","Materials Research Bulletin","1979","14","","1281","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526890","30.9","","8.266","","18.32","","90","","99.21","","90","","4618.96","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Tb Fe6 (Ge4.25 Ga1.75)","","- Fe6 Ga1.75 Ge4.25 Tb -","- Fe6 Ga1.7502 Ge4.2498 Tb -","- Fe150 Ga43.755 Ge106.245 Tb25 -","25","6.25","","Venturini, G.","Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 < x < 3.5)","Journal of Alloys Compd.","2001","329","","8","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527053","5.97","","6.27","","9.95","","90","","105.1","","90","","359.588","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Pb3.5 V4.51 O14.75","","- O14.75 Pb3.5 V4.51 -","- O14.752 Pb3.504 V4.512 -","- O14.752 Pb3.504 V4.512 -","1","0.25","","Zyryanov, V.V.; Lapina, O.B.","Mechanochemical synthesis and structure of new phases in the Pb - V- O system","Neorganicheskie Materialy","2001","37","","331","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","148344","2020-10-21","18:00:00",""
"1527670","10.695","","3.102","","5.432","","90","","94.21","","90","","179.725","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","(Sn.2 Fe.27 Fe.36 Mg.16) (Fe.4 Fe1.1 Mg.48) O2 (B O3)","","- B Fe2.13 Mg0.64 O5 Sn0.2 -","- B Fe2.12 Mg0.63 O5 Sn0.2 -","- B2 Fe4.24 Mg1.26 O10 Sn0.4 -","2","0.5","","Konnert, J.A.; Appleman, D.E.; Clark, J.R.; Finger, L.W.; Kato, T.; Miura, Y.","Crystal structure and cation distribution of Hulsite, a tin-iron borate","American Mineralogist","1976","61","","116","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527873","8.88","","3.98","","9.48","","90","","117.4","","90","","297.459","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","(N H4)3 Dy (S O3)3 H2 O","","- Dy N3 S3 -","- Dy H12 N3 S3 -","- Dy H12 N3 S3 -","1","0.25","","Niinisto, L.; Larsson, L.O.","On the structure of beta-Dy (N H4)3 (S O3)3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2250","2252","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1528166","18.334","","3.786","","14.044","","90","","115.2","","90","","882.052","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","W18 O49","","- O49 W18 -","- O49 W18 -","- O49 W18 -","1","0.25","","Viswanathan, K.; Brandt, K.; Salje, E.","Crystal structure and charge carrier concentration of W18 O49","Journal of Solid State Chemistry","1981","36","","45","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","150119","2020-10-21","18:00:00",""
"1528669","6.1939","","69.549","","3.8895","","90","","90","","90","","1675.52","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Ta38.864 Li5.68 O100","","- Li5.68 O100 Ta38.864 -","- O101 Ta37.864 -","- O101 Ta37.864 -","1","0.25","","Grey, I.E.; Mumme, W.G.; Roth, R.S.","The crystal chemistry of L-Ta2 O5 and related structures","Journal of Solid State Chemistry","2005","178","","3308","3314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528712","11.5934","","3.12529","","10.6549","","90","","99.146","","90","","381.148","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","Ga3.39 In0.61 Sn1.87 Ti0.135 O10","","- Ga3.39 In0.61 O10 Sn1.87 Ti0.135 -","- Ga3.39 In0.61 O10 Sn1.865 Ti0.135 -","- Ga6.78 In1.22 O20 Sn3.73 Ti0.27 -","2","0.5","","Maier, C.R.; Edwards, D.D.; Charoenwongsa, M.","Formation and structural refinements of tunneled intergrowth phases in the Ga2 O3 - In2 O3 - Sn O2 - Ti O2 system","Journal of Solid State Chemistry","2008","181","","2755","2762","","","","","","","","","","","","","","","","","","","","","","has coordinates","151304","2020-10-21","18:00:00",""
"1528812","5.35","","6.909","","20.96","","90","","90","","90","","774.748","","","","","","","","","","","","","14","P 1 2/m 1","-P 2y","10","","(Ba1.44 K0.8 Na Ca0.76) Ti2 (Ti1.6 Nb0.2 Zr0.2) (Fe6 Mn1.5 Mg0.5) (Si2 O7)4 O2 (O H)8 F2","","- Ba1.44 Ca0.76 F2 Fe6 H8 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -","- Ba1.44 Ca0.76 F2 Fe6 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -","- Ba1.44 Ca0.76 F2 Fe6 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -","1","0.25","","Rastsvetaeva, R.K.; Chukanov, N.V.; Rozenberg, K.A.","Crystal structure of Jinshajiangite from the Norra Kaerr complex (Sweden)","Kristallografiya","2008","53","","593","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530441","7.218","","7.611","","10.208","","90","","91.59","","90","","560.573","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","K2 Pu Cl6","","- Cl6 K2 Pu -","- Cl6 K2 Pu -","- Cl12 K4 Pu2 -","2","0.5","","Morss, L.R.; Fujino, T.","Preparation and crystal structures of plutonium(IV) hexachloro complexes, Rb2 Pu Cl6 and K2 Pu Cl6","Journal of Solid State Chemistry","1988","72","","338","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530515","12.6156","","6.8501","","11.9571","","90","","108.938","","90","","977.377","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Ba3 Ta2 S8","","- Ba3 S8 Ta2 -","- Ba3 S8 Ta2 -","- Ba9 S24 Ta6 -","3","0.75","","Onoda, M.; Saeki, M.","New Barium Tantalum Sulphides Part 2. Ba3 Ta2 S8","Materials Research Bulletin","1989","24","","625","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","155639","2020-10-21","18:00:00",""
"1530873","4.7044","","2.8301","","4.7044","","90","","96.97","","90","","62.171","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Fe Ti D1.93","","- D1.93 Fe Ti -","- D1.925 Fe Ti -","- D3.85 Fe2 Ti2 -","2","0.5","","Thompson, P.; Reilly, J.J.; Reidinger, F.; Hastings, J.M.; Corliss, L.M.","Neutron diffraction study of gamma iron titanium deuteride","Journal of Physics F","1979","9","","61","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531146","19.765","","7.54","","8.384","","90","","98.87","","90","","1234.51","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Sr (Fe (C N)5 (N O)) (H2 O)4","","- C5 H8 Fe N6 O5 Sr -","- C5 H8 Fe N6 O5 Sr -","- C20 H32 Fe4 N24 O20 Sr4 -","4","1","","Chevrier, G.; Navaza, A.; Aymonino, P. J.; Kiat, J. M.; Zuriaga, M. J.; Martin, C. A.; Monti, G. A.; Güida, J. A.; Lanzelotti, P. L.","Low temperature phases of strontium nitroprusside tetrahydrate (Sr(Fe(CN)~5~NO) * 4(H~2~O)). Refinement of the neutron structure at 60 K","Journal of Chemical Crystallography","2001","31","11-12","491","500","10.1023/A:1015707632369","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531987","9.769","","2.8512","","9.56","","90","","94.47","","90","","265.468","","","","","","","","","","","","","7","P 1 2/m 1","-P 2y","10","","Mg0.45 Na0.42 Ca0.15 K0.01 Mn6 O12 (H2 O)4.0","","- Ca0.15 H8 K0.01 Mg0.45 Mn6 Na0.42 O16 -","- Ca0.15 Mg0.45 Mn6 Na0.42 O16 -","- Ca0.15 Mg0.45 Mn6 Na0.42 O16 -","1","0.25","","Post, J.E.; Heaney, P.J.; Hanson, J.","Synchrotron X-ray diffraction study of the structure and dehydration behavior of todorokite","American Mineralogist","2003","88","","142","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532796","5.94441","","5.92472","","8.38754","","90","","90.2365","","90","","295.398","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","","","- Fe3 O4 -","- Fe3 O4 -","- Fe12 O16 -","4","1","","Wright, J.P.; Attfield, J.P.; Radaelli, P.G.","Charge ordered structure of magnetite Fe3 O4 below the Verwey transition","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","66","","214422-1","214422-15","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534558","9.7734","","4.7325","","20.678","","90","","102.418","","90","","934.036","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Na25 (Cu O2)5 (S O4)4 S","","- Cu5 Na25 O26 S5 -","- Cu5 Na25 O26 S5 -","- Cu5 Na25 O26 S5 -","1","0.25","","Amann, P.; Moeller, A.","Reactivity, syntheses and crystal structures of Na5 (M O2) (X) with M = Co(+), Ni(+), Cu(+); X = (C O3)(2-), (S O4)(2-), (S O3)(2-), S(2-) and Na25 (Cu O2)5 (S O4)4 (S)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1643","1650","","","","","","","","","","","","","","","","","","","","","","has coordinates","161377","2020-10-21","18:00:00",""
"1535071","8.602","","3.829","","10.22","","90","","112.53","","90","","310.926","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Ce6 B2 C3 Br3","","- C3 B2 Br3 Ce6 -","- C3 B2 Br3 Ce6 -","- C3 B2 Br3 Ce6 -","1","0.25","","Mattausch, H.J.; Simon, A.","Rare earth metal boride carbide bromides. A system of building blocks","Angewandte Chemie (Edition international)","1995","34","","1633","1635","","","","","","","","","","","","","","","","","","","","","","has coordinates","162253","2020-10-21","18:00:00",""
"1536068","7.899","","6.041","","12.904","","90","","97.436","","90","","610.573","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","(Ag (N H3)2) (Cl O4)","","- Ag Cl H6 N2 O4 -","- Ag Cl N2 O4 -","- Ag4 Cl4 N8 O16 -","4","1","","Nockemann, P.; Meyer, G.","(Ag (N H3)2) Cl O4: Kristallstrukturen, Phasenumwandlung, Schwingungsspektren","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1636","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536300","12.465","","3.7909","","15.5017","","90","","111.991","","90","","679.215","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Cs In3 S5","","- Cs0.918333 In3 S5 -","- Cs0.918333 In3 S5 -","- Cs2.755 In9 S15 -","3","0.75","","Deiseroth, H.J.; Reiner, C.; Schlosser, M.; Kienle, L.","M In3 S5 (M = Rb, Cs), a new structure type based on a joint ccp arrangement of S(2-) and M(+); structure, microstructure, and twinning","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1641","1647","","","","","","","","","","","","","","","","","","","","","","has coordinates","163965","2020-10-21","18:00:00",""
"1536304","12.3718","","3.77","","15.3763","","90","","112.456","","90","","662.795","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Rb0.88 In2.98 S5","","- In2.98 Rb0.88 S5 -","- In2.97533 Rb0.875333 S5 -","- In8.926 Rb2.626 S15 -","3","0.75","","Deiseroth, H.J.; Reiner, C.; Schlosser, M.; Kienle, L.","M In3 S5 (M = Rb, Cs), a new structure type based on a joint ccp arrangement of S(2-) and M(+); structure, microstructure, and twinning","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1641","1647","","","","","","","","","","","","","","","","","","","","","","has coordinates","163969","2020-10-21","18:00:00",""
"1538315","18.31999","","3.79","","14.04","","90","","115.03","","90","","883.286","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","W O2.72","","- O2.72 W -","- O2.72222 W -","- O49 W18 -","18","4.5","","Magneli, A.","Crystal structure studies on gamma-tungsten oxide","Arkiv foer Kemi","1949","1","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538317","12.1","","3.78","","23.4","","90","","95","","90","","1066.2","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","W O2.90","","- O2.9 W -","- O2.9 W -","- O58 W20 -","20","5","","Magneli, A.","Crystal structure studies on beta-tungsten oxide","Arkiv foer Kemi","1949","1","","513","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539373","12.591","","3.891","","19.161","","90","","102.86","","90","","915.181","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Sm3 Ta17 O47","","- O47 Sm3 Ta17 -","- O47 Sm3 Ta17 -","- O47 Sm3 Ta17 -","1","0.25","","Yamnova, N.A.; Pushcharovskii, D.Yu.; Leonyuk, L.I.; Bogdanova, A.V.","Crystal structure of Sm3 Ta17 O47","Kristallografiya","1988","33","","609","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","168264","2020-10-21","18:00:00",""
"1540293","15.571","","3.842","","27.583","","90","","95.44","","90","","1642.69","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- In10 S21 Sn6 -","- In10 S21 Sn6 -","- In20 S42 Sn12 -","2","0.5","","Likforman, A.; Guittard, M.; Robert, F.","Structure du sulfure d'etain et d'indium In10 Sn6 S21","Journal of Solid State Chemistry","1990","89","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540841","11.02","","4.11","","4.61","","90","","87.2","","90","","208.548","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","","","- In Se -","- In Se -","- In4 Se4 -","4","1","","Watanabe, Y.; Iwasaki, H.; Kuroda, N.; Nishina, Y.","A pressure-induced nonlayered structure of indium monoselenide","Journal of Solid State Chemistry","1982","43","","140","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1544552","3.838","0.001","2.506","0.005","4.036","0.008","90","","87.4","0.2","90","","38.78","0.11","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","AlPO4 monoclinic CaCl2 structure @ 97.5 GPa","","","- Al O4 P -","- Al O4 P -","- Al O4 P -","1","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 97.5 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188435","2020-10-21","18:00:00",""
"1550212","19.6381","0.0009","12.631","0.0006","19.6354","0.0009","90","","119.994","0.002","90","","4218.3","0.3","200","2","200","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C69.5 H32 N2 O36 Zr6 -","- C69.4732 H31.9968 N2.0004 O35.9976 Zr5.9994 -","- C69.4732 H31.9968 N2.0004 O35.9976 Zr5.9994 -","1","0.25","","Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K.","Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization","Chemical Science","2019","","","","","10.1039/C8SC04220A","","","1.54178","CuKα","","0.132","0.1254","","","0.3343","0.3384","","","","","","1.166","","","","has coordinates,has disorder","211873","2020-10-21","18:00:00",""
"1556381","3.8864","0.0005","7.7824","0.0009","7.5103","0.0009","90","","98.573","0.002","90","","224.61","0.05","200","2","200","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","1","0.25","","de Almeida, M. Peixoto; Martins, L. M. D. R. S.; Carabineiro, S. A. C.; Lauterbach, T.; Rominger, F.; Hashmi, A. S. K.; Pombeiro, A. J. L.; Figueiredo, J. L.","Homogeneous and heterogenised new gold C-scorpionate complexes as catalysts for cyclohexane oxidation","Catalysis Science & Technology","2013","3","11","3056","","10.1039/c3cy00552f","","","0.71073","MoKα","","0.013","0.013","","","0.0317","0.0317","","","","","","1.187","","","","has coordinates,has disorder","244411","2020-10-21","18:00:00",""
"2002479","5.376","0.002","3.031","0.001","10.603","0.003","90","","94.47","0.02","90","","172.2","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Nickel antimony borate (5.3/0.7/2)","","- B2 Ni5.33 O10 Sb0.67 -","- B2 Ni5.33 O10 Sb0.67 -","- B2 Ni5.33 O10 Sb0.67 -","1","0.25","","Bluhm, K; Mueller-Buschbaum, Hk; Walz, L","Eine synthetische Variante des Hulstit-Typs: Ni5.33 Sb0.67 B2 O10","Journal of the Less-Common Metals","1990","158","","339","345","10.1016/0022-5088(90)90069-V","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002480","5.355","0.002","3.021","0.002","10.563","0.004","90","","94.49","0.02","90","","170.4","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Nickel antimony borate (5.3/0.7/2)","","- B2 Ni5.33 O10 Sb0.67 -","- B2 Ni5.33 O10 Sb0.67 -","- B2 Ni5.33 O10 Sb0.67 -","1","0.25","","Bluhm, K; Mueller-Buschbaum, Hk; Walz, L","Eine synthetische Variante des Hulstit-Typs: Ni5.33 Sb0.67 B2 O10","Journal of the Less-Common Metals","1990","158","","339","345","10.1016/0022-5088(90)90069-V","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005574","9.634","0.003","6.5478","0.0008","8.474","0.001","90","","98.86","0.02","90","","528.17","0.19","190","","190","","","","","","","","","3","P 1 2/m 1","-P 2y","12","","","","- C6 H8 O2 -","- C6 H8 O2 -","- C24 H32 O8 -","4","1","BK1244","Pinkerton, A. A.; le Drian, C.; Vogel, P.","Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring: 4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190K","Acta Crystallographica Section C","1996","52","11","2927","2929","10.1107/S010827019600889X","","","0.7093","MoKα","","0.035","0.032","","","0.051","","","","","2.81","2.81","","","","","has coordinates","198533","2020-10-21","18:00:00",""
"2005933","21.334","0.006","6.985","0.002","17.1","0.006","90","","123.45","0.02","90","","2126.1","1.2","295.2","","295.2","","","","","","","","","6","P 1 2/m 1","-P 2y","12","","","","- C17 H19 Co N6 O2 S2 -","- C10.5 H15 Co0.5 N3 O1.5 S -","- C42 H60 Co2 N12 O6 S4 -","4","1","HA1172","Beddoes, R. L.; Dinsmore, A.; Helliwell, M.; Garner, C. D.; Joule, J. A.","A Pteridin-6-yl Alkene-1,2-dithiolate Complex of Cobalt","Acta Crystallographica Section C","1997","53","2","213","215","10.1107/S0108270196013571","","","0.7107","MoKα","","0.1202","0.0657","","0.0826","0.0787","","","","2.702","3.332","3.332","","","","","has coordinates","198535","2020-10-21","18:00:00",""
"2012637","9.3225","0.0019","8.0089","0.0017","21.651","0.005","90","","102.263","0.005","90","","1579.6","0.6","293","2","293","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","barium copper indium nitride","tetradecabarium dicopper tetraindium heptanitride","","- Ba14 Cu2 In4 N7 -","- Ba14 Cu2 In4 N7 -","- Ba28 Cu4 In8 N14 -","2","0.5","IZ1020","Yamane, Hisanori; Sasaki, Shinya; Kubota, Shunichi; Kajiwara, Takashi; Shimada, Masahiko","Ba~14~Cu~2~In~4~N~7~, a new subnitride with isolated nitridocuprate groups and indium clusters","Acta Crystallographica Section C","2002","58","4","i50","i52","10.1107/S010827010200361X","","","0.71073","MoKα","","0.08","0.045","","","0.102","0.112","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013721","6.447","0.003","9.942","0.004","6.455","0.003","90","","115.148","0.007","90","","374.5","0.3","150","2","150","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","hexaaquamagnesium(II) benzene-1,2,4,5-tetracarboxylate(2-)","","- C10 H16 Mg O14 -","- C10 H16 Mg O14 -","- C10 H16 Mg O14 -","1","0.25","TR1069","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~]","Acta Crystallographica Section C","2003","59","12","m505","m508","10.1107/S0108270103023175","","","0.71073","MoKα","","0.0661","0.0608","","","0.1641","0.1705","","","","","","1.171","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018174","10.812","0.002","11.942","0.002","10.868","0.002","90","","102.274","0.003","90","","1371.2","0.4","291","2","291","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","(4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro- 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","","- C14 H19 F2 O2.5 -","- C14 H19 F2 O2.5 -","- C56 H76 F8 O10 -","4","1","EG3073","Mehta, Goverdhan; Sen, Saikat; Thangam, Meenu","(4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate","Acta Crystallographica Section C","2011","67","8","o294","o296","10.1107/S0108270111024413","","","0.71073","MoKa","","0.0654","0.0424","","","0.1071","0.1236","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020273","14.627","","3.847","","15.636","","90","","97.38","","90","","872.55","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","(In22 Sn11 S44)0.53","","- In11 S22 Sn8 -","- In11 S22 Sn8 -","- In11 S22 Sn8 -","1","0.25","","Likforman, A.; Jaulmes, S.; Guittard, M.","Structure du sulfure d'indium et d'etain In11 Sn5,5 S22","Acta Crystallographica C (39,1983-)","1988","44","","1339","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","169543","2020-10-21","18:00:00",""
"2102017","5.5267","0.0003","7.8824","0.0002","5.5245","0.0003","90","","90.294","0.001","90","","240.664","0.019","298","","298","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","cerium niobium oxide","","- Ce0.33333 Nb O3 -","- Ce0.333335 Nb O3 -","- Ce1.33334 Nb4 O12 -","4","1","BR0090","Bridges, C.; Greedan, J. E.; Barbier, J.","Structure of the defect perovskite Ce~1/3~NbO~3~: a redetermination by electron and neutron powder diffraction","Acta Crystallographica Section B","2000","56","2","183","188","10.1107/S0108768199012951","","neutron","","neutron","","","","","","","","","","1.6","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103035","9.6412","0.0005","3.1506","0.0002","8.3035","0.0005","90","","113.986","0.006","90","","230.44","0.03","295","","295","","","","","","","","","4","P 1 2/m 1","-P 2y","10","Magnesium oxychloride","Trimagnesium pentahydroxide triaqua chloride monohydrate","","- Cl H13 Mg3 O9 -","- Cl H13 Mg3 O9 -","- Cl H13 Mg3 O9 -","1","0.25","KD5015","Sugimoto, Kunihisa; E. Dinnebier, Robert; Schlecht, Thomas","Structure determination of Mg~3~(OH)~5~Cl·4H~2~O (F5 phase) from laboratory powder diffraction data and its impact on the analysis of problematic magnesia floors","Acta Crystallographica Section B","2007","63","6","805","811","10.1107/S0108768107046654","","","1.54059","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2107065","18.84","","3.787","","12.33","","90","","102.67","","90","","858.288","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","W17 O47","","- O47 W17 -","- O47 W17 -","- O47 W17 -","1","0.25","","Dobson, M.M.; Tilley, R.J.D.","A new pseudo-binary tungsten oxide, W17 O47","Acta Crystallographica B (39,1983-)","1988","44","","474","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","166142","2020-10-21","18:00:00",""
"2107337","21.153","","3.8233","","19.356","","90","","119.8","","90","","1358.4","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","","","- Nb2 O5 -","- Nb2 O5 -","- Nb28 O70 -","14","3.5","","Kato, K.","Structure refinement of h-Nb2 O5","Acta Crystallographica B (24,1968-38,1982)","1976","32","","764","767","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2206190","8.193","0.003","5.518","0.002","9.233","0.004","90","","107.33","0.03","90","","398.5","0.3","296","","296","","","","","","","","","7","P 1 2/m 1","-P 2y","10","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro- [bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(hexafluorophosphate)]","","- C4 H16 Cl F12 N4 P2 Pt -","- C4 H16 Cl F12 N4 P2 Pt -","- C4 H16 Cl F12 N4 P2 Pt -","1","0.25","HB6213","Matsushita, Nobuyuki","Redetermination of <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro-[bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(hexafluorophosphate)]","Acta Crystallographica Section E","2005","61","7","m1301","m1303","10.1107/S1600536805017873","","","0.7107","MoKα","","0.0297","0.0297","","","0.0872","0.0872","","","","","","1.194","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210972","6.164","0.012","6.402","0.012","28.1","0.05","90","","95.03","0.03","90","","1105","4","291","2","291","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Methyl [(4-nitrophenyl)hydrazono]acetate","","- C9 H9 N3 O4 -","- C9 H9 N3 O4 -","- C36 H36 N12 O16 -","4","1","DN2081","Xu, Jun","Methyl [(4-nitrophenyl)hydrazono]acetate","Acta Crystallographica Section E","2006","62","11","o5317","o5318","10.1107/S1600536806044552","","","0.71073","MoKα","","0.0894","0.0598","","","0.0598","0.0633","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2311079","12.05","","3.767","","23.59","","90","","85.28","","90","","1067.17","","","","","","","","","","","","","1","P 1 2/m 1","-P 2y","10","","W10 O29","","- W10 -","- W10 -","- W20 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with Reccurent Dislocations of Atoms: 'Homologous Series' of Molybdenum and Tungsten Oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","174293","2020-10-21","18:00:00",""
"2311788","26.785","0.003","8.2451","0.0016","26.824","0.003","90","","90","0.01","90","","5923.9","1.5","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- F18 K36 O108 Sc18 Si36 -","- F18 K36 O108 Sc18 Si36 -","- F36 K72 O216 Sc36 Si72 -","2","0.5","","Hejny, C.; Bindi, L.","Low-temperature behaviour of K<sub>2</sub>Sc[Si<sub>2</sub>O<sub>6</sub>]F: determination of the lock-in phase and its relationships with fresnoite- and melilite-type compounds.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","923","930","10.1107/S2052520617010241","","","0.71069","MoKα","","0.0327","0.0312","","","0.101","0.1011","","","","","","1.281","","","","has coordinates","246105","2020-10-21","18:00:00",""
"4000528","14.268","0.005","4.1374","0.0014","24.942","0.008","90","","94.422","0.007","90","","1468","0.9","175","5","175","5","","","","","","","","4","P 1 2/m 1","-P 2y","10","Thallium Antimony Copper Selenide","","","- Cu8 Sb11.5 Se27 Tl11.5 -","- Cu8 Sb11.5 Se27 Tl11.5 -","- Cu8 Sb11.5 Se27 Tl11.5 -","1","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001040","9.2822","0.0009","3.8967","0.0004","12.0777","0.0011","90","","95.522","0.001","90","","434.82","0.07","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Eu Ga2 P2 -","- Eu1.009 Ga1.982 P2 -","- Eu4.036 Ga7.928 P8 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0159","0.0148","","","0.0325","0.0327","","","","","","1.197","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001041","9.4953","0.0007","4.0294","0.0003","12.4237","0.0009","90","","95.304","0.001","90","","473.3","0.06","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As2 Eu Ga2 -","- As2 Eu1.00685 Ga1.9863 -","- As8 Eu4.0274 Ga7.9452 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0161","0.0155","","","0.0315","0.0317","","","","","","1.261","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001683","12.59","0.002","12.852","0.002","13.984","0.004","90","","107.63","0.02","90","","2156.4","0.8","150","2","150","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Ge O8 Si3 -","- Ge1.0155 O8 Si2.9845 -","- Ge8.124 O64 Si23.876 -","8","2","","Yu, Zheng-Bao; Han, Yu; Zhao, Lan; Huang, Shiliang; Zheng, Qi-Yu; Lin, Shuangzheng; Córdova, Armando; Zou, Xiaodong; Sun, Junliang","Intergrown New Zeolite Beta Polymorphs with Interconnected 12-Ring Channels Solved by Combining Electron Crystallography and Single-Crystal X-ray Diffraction","Chemistry of Materials","2012","24","19","3701","","10.1021/cm301654d","","","0.6889","synchrotron","","0.1595","0.1139","","","0.2917","0.3195","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003954","10.0496","0.0006","3.7429","0.0002","15.3975","0.0008","90","","93.929","0.002","90","","577.81","0.06","100","2","100","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As7 Ge4.93 Li1.07 -","- As7 Ge4.923 Li1.077 -","- As14 Ge9.846 Li2.154 -","2","0.5","","Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill","Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations","Chemistry of Materials","2021","33","12","4586","4595","10.1021/acs.chemmater.1c01053","","","0.71073","MoKα","","0.0364","0.0267","","","0.0589","0.0616","","","","","","1.1","","","","has coordinates","266967","2021-07-04","01:41:54",""
"4069696","15.2127","0.0011","9.9525","0.0005","20.6506","0.0014","90","","109.011","0.005","90","","2956.1","0.3","193","2","193","2","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C82 H92 F6 N4 O14 Ru4 S2 -","- C82 H92 F6 N4 O14 Ru4 S2 -","- C82 H92 F6 N4 O14 Ru4 S2 -","1","0.25","","Mattsson, Johan; Govindaswamy, Padavattan; Renfrew, Anna K.; Dyson, Paul J.; Štěpnička, Petr; Süss-Fink, Georg; Therrien, Bruno","Synthesis, Molecular Structure, and Anticancer Activity of Cationic Arene Ruthenium Metallarectangles","Organometallics","2009","28","15","4350","","10.1021/om900359j","","","0.71073","MoKα","","0.0596","0.045","","","0.1252","0.1311","","","","","","0.978","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4101826","11.711","0.0016","15.6181","0.0012","16.0362","0.0019","90","","90.205","0.01","90","","2933.1","0.6","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C22 H12 Br N2 O4 Zn -","- C22 H12 Br N2 O4 Zn -","- C44 H24 Br2 N4 O8 Zn2 -","2","0.5","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.71073","MoKα","","0.13","0.0956","","","0.2285","0.2456","","","","","","0.874","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101828","11.6151","0.0011","15.648","0.001","18.163","0.003","90","","93.202","0.01","90","","3296","0.7","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C23 H14 Br N3 O4 Zn -","- C23 H14 Br N3 O4 Zn -","- C46 H28 Br2 N6 O8 Zn2 -","2","0.5","","Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp","Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block","Journal of the American Chemical Society","2010","132","","950","952","10.1021/ja909519e","","","0.71073","MoKα","","0.1484","0.1096","","","0.2624","0.2873","","","","","","0.912","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4105916","10.4988","0.0003","16.2306","0.0006","16.2841","0.0003","90","","90.008","0.002","90","","2774.84","0.14","100","2","100","2","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","- C51 H34 Br2 N2 O8 Si Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1241","0.0997","","","0.2622","0.2737","","","","","","1.798","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4105917","11.106","0.002","15.916","0.002","16.224","0.003","90","","101.594","0.015","90","","2809.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C16.5 H10.5 Br0.5 N2 O3.5 Zn0.5 -","- C12 H6 Br0.5 N0.5 O2 Zn0.5 -","- C48 H24 Br2 N2 O8 Zn2 -","4","1","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1312","0.08","","","0.1897","0.2098","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105918","11.2539","0.0019","15.772","0.002","16.175","0.003","90","","98.771","0.014","90","","2837.4","0.8","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C48 H27 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","- C48 H26 N2 O8 Zn2 -","1","0.25","","Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen","Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios","Journal of the American Chemical Society","2011","133","","5228","5231","10.1021/ja200553m","","","1.54178","CuKα","","0.1142","0.0819","","","0.202","0.2178","","","","","","0.928","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4106921","19.3751","0.0013","22.2846","0.0019","26.8917","0.0019","90","","93.087","0.005","90","","11594.1","1.5","100","2","100","2","","","","","","","","8","P 1 2/m 1","-P 2y","10","","","","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","- C189 H107 B3 Br6 F6 N12 O24 Zn6 -","1","0.25","","Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp","Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs","Journal of the American Chemical Society","2011","133","","15858","15861","10.1021/ja206029a","","","1.54178","CuKα","","0.1972","0.0797","","","0.1904","0.2195","","","","","","0.821","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4115788","7.1843","0.0003","7.521","0.0003","14.4763","0.0005","90","","94.401","0.003","90","","779.89","0.05","293","2","293","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","1","0.25","","Hui-Zhong Kou; Song Gao; Jing Zhang; Ge-Hui Wen; Gang Su; R. K. Zheng; X. X. Zhang","Unexpected Assembly of a Unique Cyano-Bridged Three-Dimensional Cu3Cr2 Ferromagnet","Journal of the American Chemical Society","2001","123","","11809","11810","10.1021/ja016656p","","","0.71073","MoKα","","0.0631","0.0465","","","0.1046","0.1133","","","","","","1.06","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4119024","6.8131","0.0019","15.782","0.004","11.155","0.003","90","","103.078","0.004","90","","1168.3","0.5","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","RH430","","","- C50 H50 O16 Zn2 -","- C44 H26 O10 Zn2 -","- C44 H26 O10 Zn2 -","1","0.25","","Kyriakos C. Stylianou; Jeremy Rabone; Samantha Y. Chong; Romain Heck; Jayne Armstrong; Paul V. Wiper; Kim E. Jelfs; Sergey Zlatogorsky; John Bacsa; Alec G. McLennan; Christopher P. Ireland; Yaroslav Z. Khimyak; K. Mark Thomas; Darren Bradshaw; Matthew J. Rosseinsky","Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","20466","20478","10.1021/ja308995t","","","0.71073","MoKα","","0.0495","0.0446","","","0.1225","0.1261","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4125673","19.985","0.002","17.414","0.001","20.09","0.002","90","","115.567","0.005","90","","6307.1","1","100","2","100.15","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Tb6 -","- C138 H81 O36 Tb6 -","- C138 H81 O36 Tb6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.2106","0.1843","","","0.4757","0.5045","","","","","","2.015","","","","has coordinates,has disorder","193070","2020-10-21","18:00:00",""
"4125674","18.998","0.001","17.5118","0.0007","19.567","0.001","90","","115.009","0.008","90","","5899.4","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C160 H136 F2 N4 O38 Y6 -","- C152 H92 F2 O38 Y6 -","- C152 H92 F2 O38 Y6 -","1","0.25","","Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.","Journal of the American Chemical Society","2017","139","8","3265","3274","10.1021/jacs.7b00219","","x-ray","1.54184","CuKα","","0.1597","0.1342","","","0.3634","0.3841","","","","","","1.41","","","","has coordinates,has disorder","193071","2020-10-21","18:00:00",""
"4128655","21.6317","0.001","12.2815","0.0005","21.6273","0.001","90","","119.975","0.002","90","","4977.2","0.4","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C88.5 H45.2 O36 Zr6 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.1602","0.1328","","","0.3947","0.4298","","","","","","1.748","","","","has coordinates,has disorder","221736","2020-10-21","18:00:00",""
"4128656","31.678","0.008","19.591","0.004","31.774","0.01","90","","119.631","0.015","90","","17140","8","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C220 H112 O36 Zr6 -","- C220 H112 O35.9964 Zr5.9994 -","- C220 H112 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.186","0.1327","","","0.3651","0.4351","","","","","","1.541","","","","has coordinates,has disorder","221737","2020-10-21","18:00:00",""
"4128657","28.13","0.003","16.7348","0.0018","28.174","0.003","90","","120.036","0.004","90","","11482","2","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C198 H114 O36 Zr6 -","- C198 H114 O35.997 Zr5.9994 -","- C198 H114 O35.997 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","0.71073","MoKα","","0.1876","0.1259","","","0.341","0.3909","","","","","","1.255","","","","has coordinates,has disorder","221738","2020-10-21","18:00:00",""
"4129206","8.2024","0.0007","8.1797","0.0006","21.1217","0.0018","90","","101.195","0.003","90","","1390.2","0.2","293","","293","","","","","","","","Precipitation from HBr solution","6","P 1 2/m 1","-P 2y","10","OCA4AgBiBr8","","","- C32 H80 Ag Bi Br8 N4 -","- C32 H80 Ag Bi Br8 N4 -","- C32 H80 Ag Bi Br8 N4 -","1","0.25","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","x-ray","0.71073","MoKα","","0.1223","0.0919","","","0.2714","0.2752","","","","5.54","5.54","4.65","","","","has coordinates","231169","2020-10-21","18:00:00",""
"4134236","20.808475","","11.960014","","19.896179","","90","","120.03","","90","","4286.88","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C4.091 H377.543 Br3.463 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","- C7.32 H376 Br3.48 O31.68 Zr5.94 -","1","0.25","","Lyu, Jiafei; Gong, Xinyi; Lee, Seung-Joon; Gnanasekaran, Karthikeyan; Zhang, Xuan; Wasson, Megan C.; Wang, Xingjie; Bai, Peng; Guo, Xianghai; Gianneschi, Nathan C.; Farha, Omar K.","Phase Transitions in Metal-Organic Frameworks Directly Monitored through In Situ Variable Temperature Liquid-Cell Transmission Electron Microscopy and In Situ X-ray Diffraction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00542","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","248435","2020-10-21","18:00:00",""
"4320259","8.2616","0.0007","12.2727","0.001","8.2855","0.0006","90","","90.295","0.004","90","","840.07","0.12","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","compound_1","","","- C8 H21 Au Cl4 O6 -","- C8 H16 Au Cl4 O6 -","- C16 H32 Au2 Cl8 O12 -","2","0.5","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.71073","MoKα","","0.0461","0.0364","","","0.0809","0.0858","","","","","","1.055","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4320263","13.4509","0.0008","12.0398","0.0007","20.275","0.0011","90","","100.084","0.001","90","","3232.7","0.3","123","2","123","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","compound_4_II","","","- C12 H27 Au Cl4 O7 -","- C12 H24 Au Cl4 O7 -","- C72 H144 Au6 Cl24 O42 -","6","1.5","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.7107","MoKα","","0.1735","0.0871","","","0.2364","0.2632","","","","","","1.233","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4321775","6.92","0.005","8.797","0.005","7.053","0.002","90","","115.49","0.03","90","","387.6","0.4","200","","200","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C6 H22 B10 Si2 -","- C6 H22 B10 Si2 -","- C6 H22 B10 Si2 -","1","0.25","","Francis M. de Rege; Jeremy D. Kassebaum; Brian L. Scott; Kent D. Abney; Gary J. Balaich","Synthesis, Structure, and Reactivity of 1,2-(1',1',2',2'-Tetramethyldisilane-1',2')carborane","Inorganic Chemistry","1999","38","","486","489","10.1021/ic980992y","","","0.71073","MoKα","","0.1261","0.064","","0.1443","0.1189","","","","1.088","1.248","1.248","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4331769","14.558","0.001","3.8556","0.0003","15.558","0.001","90","","96.876","0.001","90","","866.99","0.11","296","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- Fe1.48 In10.02 Pb5.5 S22 -","- Fe1.476 In10.024 Pb5.5 S22 -","- Fe1.476 In10.024 Pb5.5 S22 -","1","0.25","","Matsushita, Yoshitaka; Ueda, Yutaka","Crystal Structure and Physical Properties of Fe1.5Pb5.5In10S22","Inorganic Chemistry","2006","45","5","2022","2026","10.1021/ic0515296","","","0.71073","MoKα","","0.05806","0.03782","","","0.0663","0.06736","","","","","","1.448","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334646","13.438","0.007","6.85","0.004","22.238","0.012","90","","107.586","0.013","90","","1951.3","1.9","293","2","293","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","Potassium uranyl borate","","","- B7 K15 O72 U18 -","- B7 K15 O72 U18 -","- B7 K15 O72 U18 -","1","0.25","","Shijun Wu; Shuao Wang; Matthew Polinski; Oliver Beermann; Philip Kegler; Thomas Malcherek; Astrid Holzheid; Wulf Depmeier; Dirk Bosbach; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","High Structural Complexity of Potassium Uranyl Borates Derived from High-Temperature/High-Pressure Reactions","Inorganic Chemistry","2013","52","","5110","5118","10.1021/ic400016z","","","0.71073","MoKα","","0.1676","0.064","","","0.1423","0.1849","","","","","","1.07","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4343869","6.4","","20.61","","3.39","","90","","90.48","","90","","447.139","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Co (O H2)2 (Au (C N)2)2","","- C4 H4 Au2 Co N4 O2 -","- C4 Au2 Co N4 O2 -","- C8 Au4 Co2 N8 O4 -","2","0.5","","Lefebvre, J.; Tyagi, P.; Trudel, S.; Leznoff, D.B.; Pacradouni, V.; Sonier, J.E.; Kaiser, C.","Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double aqua-bridged chains: SQUID and mueSR studies","Inorganic Chemistry","2009","48","","55","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343870","6.43","","20.67","","3.47","","90","","90.68","","90","","461.159","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Fe (O H2)2 (Au (C N)2)2","","- C4 H4 Au2 Fe N4 O2 -","- C4 Au2 Fe N4 O2 -","- C8 Au4 Fe2 N8 O4 -","2","0.5","","Lefebvre, J.; Tyagi, P.; Leznoff, D.B.; Trudel, S.; Kaiser, C.; Pacradouni, V.; Sonier, J.E.","Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double aqua-bridged chains: SQUID and mueSR studies","Inorganic Chemistry","2009","48","","55","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343871","6.5","","20.78","","3.49","","90","","90.4","","90","","471.383","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Mn (O H2)2 (Au (C N)2)2","","- C4 H4 Au2 Mn N4 O2 -","- C4 Au2 Mn N4 O2 -","- C8 Au4 Mn2 N8 O4 -","2","0.5","","Lefebvre, J.; Sonier, J.E.; Trudel, S.; Tyagi, P.; Kaiser, C.; Pacradouni, V.; Leznoff, D.B.","Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double aqua-bridged chains: SQUID and mueSR studies","Inorganic Chemistry","2009","48","","55","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344921","12.2","0.02","26.58","0.05","18.62","0.03","90","","104.82","0.02","90","","5837","17","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C74 H38 Cd4 N9 O18 -","- C74 H38 Cd4 N9 O18 -","- C148 H76 Cd8 N18 O36 -","2","0.5","","Pal, Tapan K.; Chatterjee, Nabanita; Bharadwaj, Parimal K.","Linker-Induced Structural Diversity and Photophysical Property of MOFs for Selective and Sensitive Detection of Nitroaromatics","Inorganic Chemistry","2016","55","4","1741","","10.1021/acs.inorgchem.5b02645","","","0.71073","MoKα","","0.1621","0.1198","","","0.2941","0.3155","","","","","","0.838","","","","has coordinates","189225","2020-10-21","18:00:00",""
"4349115","7.2782","0.0003","7.5613","0.0002","7.482","0.0004","90","","101.494","0.005","90","","403.5","0.03","120","1","120","1","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C8 H3 F Fe N6 O0.5 Pt -","- C8 H2 F Fe N6 O0.5 Pt -","- C8 H2 F Fe N6 O0.5 Pt -","1","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71069","MoKα","","0.0421","0.0406","","","0.098","0.0993","","","","","","0.985","","","","has coordinates","233588","2020-10-21","18:00:00",""
"4350316","7.1564","0.0006","18.2265","0.0016","8.1397","0.0007","90","","95.038","0.002","90","","1057.61","0.16","90","2","90","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C2 H9 F O9.25 P2 V1.5 -","- C2 H4 F O7 P2 V1.5 -","- C8 H16 F4 O28 P8 V6 -","4","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J; Zubieta, Jon","Evolution of the structural chemistry of vanadium organodiphosphonate networks and frameworks: structural consequences of fluoride incorporation in the development of stable phases with void channels.","Inorganic chemistry","2006","45","19","7628","7641","10.1021/ic0604462","","x-ray","0.71073","MoKα","","0.0707","0.0595","","","0.1304","0.1351","","","","","","1.129","","","","has coordinates,has disorder","239835","2020-10-21","18:00:00",""
"4512226","11.27","0.003","15.803","0.002","16.274","0.003","90","","97.169","0.012","90","","2875.7","1","100","2","99.99","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C47 H24 Br2 N2 O8 Zn2 -","- C47 H24 Br2 N2 O8 Zn2 -","- C47 H24 Br2 N2 O8 Zn2 -","1","0.25","","Madrahimov, Sherzod T.; Atesin, Tulay A.; Karagiaridi, Olga; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Metal‒Organic Frameworks Containing (Alkynyl)Gold Functionalities: A Comparative Evaluation of Solvent-Assisted Linker Exchange,de NovoSynthesis, and Post-synthesis Modification","Crystal Growth & Design","2014","14","12","6320","","10.1021/cg501066s","","","1.54178","CuKα","","0.1097","0.0807","","","0.2383","0.2556","","","","","","1.05","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4513162","11.0071","0.0004","7.6667","0.0002","14.9346","0.0004","90","","103.846","0.003","90","","1223.68","0.07","250","0.1","250","0.1","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C34 H51 Cu2 N13 O8 -","- C20 H10 Cu2 N10 -","- C20 H10 Cu2 N10 -","1","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0456","0.0415","","","0.1257","0.1296","","","","","","1.046","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513493","6.5576","0.0004","9.715","0.0006","8.6358","0.0006","90","","90.579","0.004","90","","550.13","0.06","150","2","150","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C6 H8 F5 N21 Zn4 -","- C6 H8 F5 N21 Zn4 -","- C6 H8 F5 N21 Zn4 -","1","0.25","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0673","0.0557","","","0.1358","0.1467","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4518209","8.991","0.003","19.04","0.008","9.004","0.003","90","","93.322","0.013","90","","1538.8","1","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C24 H18 Hg I4 N4 -","- C24 H18 Hg I4 N4 -","- C48 H36 Hg2 I8 N8 -","2","0.5","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0487","0.0419","","","0.0983","0.1032","","","","","","1.132","","","","has coordinates,has disorder","259510","2020-12-04","02:14:46",""
"5910092","11.77","","5.13","","15.17","","112.44","","112.44","","112.44","","615.569","","","","","","","","","","","","","4","P 1 2/m 1","","10","","Petalite","","- Al Li O10 Si4 -","- Al4 Li4 O21 Si8 -","- Al4 Li4 O21 Si8 -","","","","Wyckoff, R. W. G.","Page 325 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","325","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7014103","22.5992","0.0001","21.8196","0.0004","22.8168","0.0004","90","","91.08","0.001","90","","11249.1","0.3","296","2","296","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C20 H250 Mo20 Na30 O230 P20 -","- C20 H30 Mo20 Na28.75 O206 P20 -","- C40 H60 Mo40 Na57.5 O412 P40 -","2","0.5","","du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis","Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1259","1263","10.1039/b401250j","","","0.71073","MoKα","","0.1553","0.0858","","","0.2459","0.2914","","","","","","1.038","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7017079","12.2987","0.0007","7.6559","0.0003","14.6269","0.0006","90","","106.545","0.005","90","","1320.21","0.11","150","","150","","","","","","","","","6","P 1 2/m 1","-P 2y","10","MoMn(bpa) Hofmann","{[Mn(H~2~O)~2~]~0.5~[Mn(bpa)~2~]~0.5~ [Mo(O)(CN)~4~(bpa)~0.5~]}.MeOH","","- C23 H18 Mn Mo N7 O3 -","- C22.5 H18 Mn Mo N7 O3 -","- C45 H36 Mn2 Mo2 N14 O6 -","2","0.5","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Price, David J.; Kepert, Cameron J.","A new modification of an old framework: Hofmann layers with unusual tetracyanidometallate groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11621","11628","10.1039/c1dt11183c","","","0.7107","MoKα","","0.0835","0.0718","","","0.1921","0.2038","","","","","","1.068","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017531","20.923","0.004","5.963","0.004","20.425","0.003","90","","123.701","0.006","90","","2120","1.5","293","","293","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C35 H25 N O23 V4 -","- C35 H25 N O23 V4 -","- C70 H50 N2 O46 V8 -","2","0.5","","Djerdj, Igor; Škapin, Srečo D; Ceh, Miran; Jagličić, Zvonko; Pajić, Damir; Kozlevčar, Bojan; Orel, Bojan; Orel, Zorica Crnjak","Interplay between the structural and magnetic probes in the elucidation of the structure of a novel 2D layered [V4O4(OH)2(O2CC6H4CO2)4]·DMF.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","581","589","10.1039/c1dt10985e","powder diffraction","","0.70177","Synchrotron","","","","","","","","","5.5205","","","","","","","","has coordinates","193021","2020-10-21","18:00:00",""
"7034477","6.6118","0.0006","12.4325","0.0011","8.8075","0.0007","90","","107.723","0.003","90","","689.63","0.1","296","2","296","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","[hdma]1.5(Fe5F7OwCOO)(Amtetraz)4)","","- C8 H23 F7 Fe5 N21.5 O3 -","- C8 H8 F7 Fe5 N21.5 O3 -","- C8 H8 F7 Fe5 N21.5 O3 -","1","0.25","","Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent","New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7951","7959","10.1039/c5dt00281h","","","0.71073","MoKα","","0.0633","0.0389","","","0.1027","0.113","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034478","6.6687","0.0007","12.245","0.001","9.0305","0.0009","90","","110.439","0.006","90","","690.99","0.12","150","2","150","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","[hdma](Fe5F8Ow2(amtetraz)4)","","- C6 H20 F8 Fe5 N21 O2 -","- C6 H8 F8 Fe5 N21 O2 -","- C6 H8 F8 Fe5 N21 O2 -","1","0.25","","Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent","New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7951","7959","10.1039/c5dt00281h","","","0.71073","MoKα","","0.1502","0.0852","","","0.2212","0.2614","","","","","","1.06","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7056615","7.2727","0.0002","7.4681","0.0001","7.4416","0.0002","90","","95.939","0.001","90","","402.008","0.016","160","2","160","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C12 H10.4 Fe N8 O1.2 Pt -","- C12 H8 Fe N8 O1.2 Pt -","- C12 H8 Fe N8 O1.2 Pt -","1","0.25","","Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis","Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework","New J. Chem.","2017","","","","","10.1039/C7NJ02398G","","","1.54178","CuKα","","0.0464","0.0438","","","0.0925","0.0941","","","","","","1.041","","","","has coordinates","201336","2020-10-21","18:00:00",""
"7056616","7.28","0.0001","7.47","0.0001","7.4387","0.0001","90","","95.88","0.001","90","","402.4","0.009","160","2","160","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C12 H10.4 Fe N8 O1.2 Pd -","- C12 H8 Fe N8 O1.2 Pd -","- C12 H8 Fe N8 O1.2 Pd -","1","0.25","","Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis","Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework","New J. Chem.","2017","","","","","10.1039/C7NJ02398G","","","1.54178","CuKα","","0.0446","0.0433","","","0.1055","0.1065","","","","","","1.097","","","","has coordinates","201336","2020-10-21","18:00:00",""
"7114172","6.971","0.002","7.467","0.002","9.267","0.003","90","","100.377","0.005","90","","474.5","0.2","293","2","293","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Cobalt(II)diaquo Iron(II)tetracyanodicarbonyl octahydrate ?","","- C6 H20 Co Fe N4 O12 -","- C6 Co Fe N4 O12 -","- C6 Co Fe N4 O12 -","1","0.25","","Jiang, Jianfeng; Koch, Stephen A.","Two-dimensional materials based on trans-[FeII(CN)4(CO)2]2??? building blocks; first structural evidence for a hydrated metal carbonyl ligation","Chemical Communications","2002","","16","1724","","10.1039/b200337f","","","0.71073","MoKα","","0.0759","0.0544","","","0.1392","0.1532","","","","","","1.06","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7119176","8.2011","0.0002","3.5207","0.0001","9.9129","0.0003","90","","110.987","0.002","90","","267.234","0.013","296.15","","296.15","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","H4Mn2V9O14","","- Mn1.5 N O13 V4 -","- Mn1.5 N O13 V4 -","- Mn1.5 N O13 V4 -","1","0.25","","Martin K. Dufficy; Lan Luo; Peter S. Fedkiw; Paul A. Maggard","Vacancy-induced manganese vanadates and their potential application to Li-ion batteries","Chem.Commun.","2016","52","","7509","","","","","0.71073","MoKα","","0.0533","0.0362","","","0.0936","0.1019","","","","","","1.079","","","","has coordinates","186028","2020-10-21","18:00:00",""
"7123110","14.3588","0.0012","15.763","0.002","15.6688","0.0016","90","","103.497","0.009","90","","3448.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C24 H14 O22 S4 Zn4 -","- C24 H14 O22 S4 Zn4 -","- C48 H28 O44 S8 Zn8 -","2","0.5","","Wu, Xiao-Qin; Liu, Yan; Feng, Pei-qi; Wei, Xuehong; Qiu, Xiao-Hang; Ma, Jian-Gong","Design of the Zn-MOF Biosensor via a Ligand “Lock” for the Recognition and Distinction of S-containing Amino Acids","Chemical Communications","2019","","","","","10.1039/C9CC01701A","","x-ray","0.71073","MoKα","","0.1874","0.1236","","","0.3601","0.4","","","","","","1.017","","","","has coordinates","214042","2020-10-21","18:00:00",""
"7206025","10.07","0.008","11.383","0.008","13.936","0.01","90","","101.955","0.015","90","","1563","2","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C9 H5.5 N1.5 O2 Zn0.5 -","- C9 H5.5 N1.5 O2 Zn0.5 -","- C36 H22 N6 O8 Zn2 -","4","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0909","0.0735","","","0.2487","0.2717","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209468","11.075","","3.1104","","5.4293","","90","","95.1","","90","","186.286","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Mn2 Sr (B O3) O2","","- B Mn2 O5 Sr -","- B Mn2 O5 Sr -","- B2 Mn4 O10 Sr2 -","2","0.5","","Utzolino, A.; Bluhm, K.","Neue Einsichten zur Stabilisierung des Hulsit-Strukturtyps am Beispiel von Mn(II)2 Mn(III) (B O3) O2 und Mn(II) Sr Mn(III) (B O3) O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1433","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221163","5.17","","3.18","","7.74","","90","","104.5","","90","","123.197","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","","","- Li Sn -","- Li Sn -","- Li3 Sn3 -","3","0.75","","Mueller, W.; Schaefer, H.","Die Kristallstruktur der Phase Li Sn","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1973","28","","246","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7234570","7.8682","0.0003","10.5629","0.0004","11.607","0.0005","90","","106.552","0.005","90","","924.7","0.07","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H8 Cu2 O11 -","- C10 H2 Cu2 O10.99 -","- C20 H4 Cu4 O21.98 -","2","0.5","","Zhang, Jun; Ma, Xiaofan; Kong, Weili; Lu, Guodong; Xuan, Xiaopeng","Cooperative proton transportation based on the reversible single crystal‒single crystal transformation in a highly water-stable Cu-MOF with its facile and scalable preparation","CrystEngComm","2019","","","","","10.1039/C9CE01334B","","x-ray","1.54184","CuKα","","0.0562","0.054","","","0.174","0.1771","","","","","","1.161","","","","has coordinates,has disorder","219305","2020-10-21","18:00:00",""
"7237163","16.9552","0.001","19.4089","0.001","18.5986","0.0009","90","","99.771","0.004","90","","6031.7","0.6","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C192 H96 Cl4 Cu9 N80 O -","2","0.5","","Wang, Zheng; Zhang, Jian-Hua; Jiang, Ji-Jun; Wang, Hai-Ping; Wei, Zhang-Wen; Zhu, Xunjin; Pan, Mei; Su, Cheng-Yong","A stable metal cluster-metalloporphyrin MOF with high capacity for cationic dye removal","Journal of Materials Chemistry A","2018","6","36","17698","","10.1039/C8TA06249H","","","1.54178","CuKα","","0.1904","0.136","","","0.2756","0.2927","","","","","","1.051","","","","has coordinates","237466","2020-10-21","18:00:00",""
"7239987","12.4692","0.001","3.76053","0.00017","9.62324","0.00071","90","","89.87","0.015","90","","451.24","0.05","523","","523","","","","","","","","","5","P 1 2/m 1","-P 2y","10","catena-dibromo-(4-cyanopyridine)cobalt","catena-dibromo-(4-cyanopyridine)cobalt","","- C6 H4 Br2 Co N2 -","- C6 H4 Br2 Co N2 -","- C12 H8 Br4 Co2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine complexes [MX2(4-CNpy)x]n (with X = Cl, Br and x = 1, 2): crystal structures, thermal properties and a comparison with [MX2(3-CNpy)x]n complexes","CrystEngComm","2020","","","","","10.1039/C9CE02012H","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.24881","1.413","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7240451","7.851","0.002","7.792","0.002","12.456","0.003","90","","105.148","0.007","90","","735.5","0.3","383","2","383","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","0.5","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0681","0.0522","","","0.0977","0.1048","","","","","","1.152","","","","has coordinates,has disorder","251789","2020-10-21","18:00:00",""
"7241021","9.6303","0.0005","12.2272","0.0006","17.1845","0.0008","90","","96.342","0.002","90","","2011.12","0.17","173","2","173","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","1","0.25","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.092","0.0782","","","0.1918","0.1999","","","","","","1.157","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7704815","12.455","0.005","19.023","0.008","16.766","0.007","90","","97.049","0.005","90","","3942","3","110","2","110.15","","","","","","","","","6","P 1 2/m 1","-P 2y","10","Ag_2a","","","- C32 H16 Ag N4 O10 Ru2 -","- C32 H16 Ag N4 O10 Ru2 -","- C64 H32 Ag2 N8 O20 Ru4 -","2","0.5","","Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.","Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16077","16081","10.1039/d0dt02233k","","","0.71073","MoKα","","0.1856","0.1409","","","0.406","0.4866","","","","","","1.793","","","","has coordinates","260792","2021-01-07","06:31:54",""
"7707587","13.7124","0.0012","19.7578","0.0017","17.3324","0.0015","90","","111.328","0.004","90","","4374.2","0.7","293","2","293","2","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C50 H42 Br2 Cu6 N2 O34 Ru12 -","- C50 H42 Br2 Cu6 N2 O34 Ru12 -","- C100 H84 Br4 Cu12 N4 O68 Ru24 -","2","0.5","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.09","0.0643","","","0.1579","0.1727","","","","","","1.082","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707645","10.2746","0.0011","4.3005","0.0005","13.3317","0.0014","90","","95.569","0.002","90","","586.29","0.11","199.99","","199.99","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As2 Ba In2 -","- As2 Ba In2 -","- As8 Ba4 In8 -","4","1","","Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen","The Zintl phases <i>A</i>In<sub>2</sub>As<sub>2</sub> (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9173","9184","10.1039/d1dt01521d","","","0.71073","MoKα","","0.0361","0.0286","","","0.0561","0.0594","","","","","","1.023","","","","has coordinates","268761","2021-09-06","11:11:11",""
"7711843","6.3747","0.0005","9.9302","0.0008","6.4394","0.0006","90","","114.467","0.002","90","","371.02","0.05","100","","100","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H16 Co O14 -","- C10 H16 Co O14 -","- C10 H16 Co O14 -","1","0.25","","Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang","Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03278c","","","0.71073","MoKα","","0.0335","0.0323","","","0.0888","0.0894","","","","","","1.128","","","","has coordinates","279616","2022-11-28","23:54:18",""
"7711844","6.4912","0.0005","9.9169","0.0008","6.538","0.0006","90","","115.401","0.002","90","","380.18","0.06","273.15","","273.15","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H16 Co O14 -","- C10 H16 Co O14 -","- C10 H16 Co O14 -","1","0.25","","Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang","Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03278c","","","0.71073","MoKα","","0.0331","0.0319","","","0.0875","0.0881","","","","","","1.126","","","","has coordinates","279616","2022-11-28","23:54:19",""
"7711845","6.523","0.006","9.909","0.008","6.641","0.007","90","","115.98","0.04","90","","385.9","0.6","400","","400","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H16 Co O14 -","- C10 H16 Co O14 -","- C10 H16 Co O14 -","1","0.25","","Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang","Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03278c","","","0.71073","MoKα","","0.0332","0.0319","","","0.0887","0.0893","","","","","","1.115","","","","has coordinates","279616","2022-11-28","23:54:19",""
"8103424","7.438","","3.097","","4.899","","90","","105.47","","90","","108.762","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","","","- Au Cd -","- Au Cd0.99 -","- Au3 Cd2.97 -","3","0.75","","Alasafi, K.M.; Schubert, K.","Crystal structure of Au1.1 Cd.9 (r)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","148","","179","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8107665","8.1091","0.0008","3.5128","0.0002","9.759","0.0009","90","","111.553","0.011","90","","258.55","0.04","","","293","","","","","","","","","4","P 1 2/m 1","-P 2y","10","cobalt-vanadium-oxido hydrate","","","- Co H4 O14 V4.4 -","- Co H4 O14 V4.4 -","- Co H4 O14 V4.4 -","1","0.25","","Wu-Hua, Chen; Ran, Chen; Jin-Xiao, Mi; Hua-Feng, Wang; Jia-Yu, Song","The crystal structure of a cobalt-vanadium-oxido hydrate","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1079","1080","10.1515/ncrs-2023-0321","","x-ray","0.71073","MoKα","","","0.0401","","","0.0922","","","","","","","","","","","has coordinates","287738","2023-11-22","10:39:40",""
"9000271","10.11","","5.77","","4.7","","90","","90","","90","","274.173","","","","","","","","","","","","hypothetical","3","P 1 2/m 1","-P 2y","10","","","","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","1","","Baur, W. H.","Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 polymorphs of low and high density Model I","American Mineralogist","1972","57","","709","731","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000486","10.695","","3.102","","5.432","","90","","94.2","","90","","179.727","","","","","","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","Hulsite","- B2 Fe2.63 Mg1.12 O10 Sn0.2 -","- B2 Fe2.63 Mg1.12 O10 Sn0.2 -","- B2 Fe2.63 Mg1.12 O10 Sn0.2 -","1","0.25","","Konnert, J. A.; Appleman, D. E.; Clark, J. R.; Finger, L. W.; Kato, T.; Miura, Y.","Crystal structure and cation distribution of hulsite, a tin-iron borate","American Mineralogist","1976","61","","116","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9001165","9.764","","2.8416","","9.551","","90","","94.06","","90","","264.331","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","Todorokite","- H3.16 Mn6 O15.16 -","- H3.16 Mn6 O15.16 -","- H3.16 Mn6 O15.16 -","1","0.25","","Post, J. E.; Bish, D. L.","Rietveld refinement of the todorokite structure Sample: South Africa Ka","American Mineralogist","1988","73","","861","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001166","9.763","","2.8454","","9.559","","90","","94.16","","90","","264.846","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","Todorokite","- H4.16 Mn6 O16.16 -","- H4.16 Mn6 O16.16 -","- H4.16 Mn6 O16.16 -","1","0.25","","Post, J. E.; Bish, D. L.","Rietveld refinement of the todorokite structure Sample: South Africa Kb","American Mineralogist","1988","73","","861","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001167","9.789","","2.834","","9.551","","90","","93.7","","90","","264.412","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","","Todorokite","- Mn O2 -","- Mn O2 -","- Mn6 O12 -","6","1.5","","Post, J. E.; Bish, D. L.","Rietveld refinement of the todorokite structure Sample: Cuba","American Mineralogist","1988","73","","861","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9002866","9.769","","2.8512","","9.56","","90","","94.47","","90","","265.468","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","Todorokite","- H8.16 Mg0.47 Mn6 O16.9 -","- H10.52 Mg0.47 Mn6 O17.26 -","- H10.52 Mg0.47 Mn6 O17.26 -","1","0.25","","Post, J. E.; Heaney, P. J.; Hanson, J. C.","Synchrotron X-ray diffraction study of the structure and dehydration behavior of todorokite","American Mineralogist","2003","88","","142","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:24",""
"9003557","5.124","","4.419","","7.437","","90","","89.96","","90","","168.396","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","Muthmannite","- Ag Au Te2 -","- Ag Au Te2 -","- Ag2 Au2 Te4 -","2","0.5","","Bindi, L.; Cipriani, C.","Ordered distribution of Au and Ag in the crystal structure of muthmannite, AuAgTe2, a rare telluride from Sacarimb, Western Romania","American Mineralogist","2004","89","","1505","1509","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9005640","5.3444","","3.03","","10.506","","90","","94.46","","90","","169.614","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","Alumino-magnesiohulsite","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","1","0.25","","Pertsev N N; Schreyer W; Armbruster T; Bernhardt H J; Medenbach O","Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia Locality: east of Verkhoyansk, Sakha-Yakutia, Russia","European Journal of Mineralogy","2004","16","","151","161","10.1127/0935-1221/2004/0016-0151","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9008074","9.31","","5.64","","12.1","","90","","100.77","","90","","624.16","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Al26 Mg O40 -","- Al25.9998 Mg O40 -","- Al25.9998 Mg O40 -","1","0.25","","Jagodzinski, H.","Die bestimmung einer bei der entmischung Al2O3-ubersattigter Mg-Al-Spinelle auftretenden zwischenstruktur","Zeitschrift fur Kristallographie","1957","109","","388","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9012682","5.35","","6.909","","20.96","","90","","99.83","","90","","763.373","","","","","","","","","","","","Norra Karr alkaline complex, Sweden","14","P 1 2/m 1","-P 2y","10","","","Jinshajiangite","- Ba1.44 Ca0.76 F2 Fe6 H8 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -","- Ba1.44 Ca0.76 F2 Fe6 H8 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -","- Ba1.44 Ca0.76 F2 Fe6 H8 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -","1","0.25","","Rastsvetaeva, R. K.; Chukanov, N. V.; Rozenberg, K.","A crystal structure of jinshajiangite from the Norra Karr complex (Sweden)","Crystallography Reports","2008","53","","553","556","10.1134/S1063774508040044","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""