# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-22T04:21:04+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m c 21' 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
"1000372","3.972","0.001","5.038","0.002","9.005","0.005","90","","90","","90","","180.2","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Potassium copper carbonate fluoride","","- C Cu F K O3 -","- C Cu F K O3 -","- C2 Cu2 F2 K2 O6 -","2","0.5","","Mercier, N; Leblanc, M","Synthesis, characterization and crystal structure of a new copper fluorocarbonate K Cu (C O3) F","European Journal of Solid State Inorganic Chemistry","1994","31","","423","430","","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100025","5.214","0.003","6.43","0.003","7.301","0.012","90","","90","","90","","244.8","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","Strontium calcium carbonate","Carbocernaite","- C2 Ca O6 Sr -","- C2 Ca O6 Sr -","- C4 Ca2 O12 Sr2 -","2","0.5","","Shi, N.; Ma, Z.; Peng, Z.","The Crystal Structure of Carbocernaite","Chinese Science Bulletin","1982","27","1","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:29:59",""
"1100750","6.8211","0.0014","9.6203","0.0019","13.172","0.003","90","","90","","90","","864.4","0.3","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- Ba6 Cl3 Mn4 O34 Si12 -","- Ba6 Cl3 Mn4 O34 Si12 -","- Ba6 Cl3 Mn4 O34 Si12 -","1","0.25","","Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu","Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3","Inorganic Chemistry","2005","44","","3121","3126","10.1021/ic050228t","","","0.71073","MoKα","","0.0474","0.0405","","","0.0868","0.0906","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100751","6.8782","0.0014","9.6635","0.0019","13.098","0.003","90","","90","","90","","870.6","0.3","298","2","298","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- Ba6 Cl3 Fe5 O34 Si11 -","- Ba6 Cl3 Fe5 O34 Si11 -","- Ba6 Cl3 Fe5 O34 Si11 -","1","0.25","","Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu","Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3","Inorganic Chemistry","2005","44","","3121","3126","10.1021/ic050228t","","","0.71073","MoKα","","0.027","0.026","","","0.0557","0.0561","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1510573","6.345","","8.971","","4.486","","90","","90","","90","","255.348","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","","","- Au5 Zn3 -","- Au5 Zn3 -","- Au10 Zn6 -","2","0.5","","Iwasaki, H.","The crystal structure and the phase transition of a metastable phase in the Au.662 Zn.378 alloy","Journal of the Physical Society of Japan","1962","17","","1620","1633","10.1143/JPSJ.17.1620","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522037","3.916","","20.25","","5.586","","90","","90","","90","","442.964","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","La3 ((Ti1.92 Ta1.08) O11)","","- La3 O11 Ta1.08 Ti1.92 -","- La3 O11 Ta1.08 Ti1.92 -","- La6 O22 Ta2.16 Ti3.84 -","2","0.5","","Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Yashchuk, V.P.; Markiv, V.Ya.; Belyavina, N.M.","Heteroblock perovskite-like structure of La3 Ti2 Ta O11","Dopov. Nats. Akad. Nauk. Ukr.","2000","2000","","148","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","142256","2020-10-21","18:00:00",""
"1524362","2.966","","4.521","","4.369","","90","","90","","90","","58.585","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","Fe Ti D","","- D Fe Ti -","- D0.99 Fe Ti -","- D1.98 Fe2 Ti2 -","2","0.5","","Fischer, R.; Schlapbach, L.; Haelg, W.; Andresen, A.F.; Stucki, F.","Deuterium storage in Fe Ti. Measurement of desorption isotherms and structural studies by means of neutron diffraction","Materials Research Bulletin","1978","13","","931","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526770","5.8447","","7.0715","","15.309","","90","","90","","90","","632.733","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","Pb3 O2 (O H) Br","","- Br H O3 Pb3 -","- Br O3 Pb3 -","- Br4 O12 Pb12 -","4","1","","Krivovichev, S.V.; Burns, P.C.","Crystal structure of Pb3 O2 (O H) Br, a Br-analogue of damaraite","Solid State Sciences","2001","3","","455","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527898","6.465","","6.9249","","12.118","","90","","90","","90","","542.517","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","Tl P5","","- P5 Tl -","- P5 Tl -","- P20 Tl4 -","4","1","","Olofsson, O.; Gullman, J.","The crystal structure of Tl P5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1327","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528353","4.001","","32.936","","11.291","","90","","90","","90","","1487.89","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","La2 Fe1.76 S5","","- Fe1.76 La2 S5 -","- Fe1.765 La2 S5 -","- Fe14.12 La16 S40 -","8","2","","Besrest, F.; Collin, G.","Structure de La2 Fe1.76 S5","Journal of Solid State Chemistry","1978","24","","301","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","150477","2020-10-21","18:00:00",""
"1528821","7.503","","8.233","","5.23","","90","","90","","90","","323.069","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Na3 (Al3 Si3 O12) (H2 O)","","- Al3 H2 Na3 O13 Si3 -","- Al3 Na3 O13 Si3 -","- Al3 Na3 O13 Si3 -","1","0.25","","Reinhardt, A.; Hellner, E.; Ahsbahs, H.","Die Kristallstruktur von Nephelinhydrat I, einem Zeolith","Fortschritte der Mineralogie, Beiheft","1982","60","","175","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528864","7.8636","","5.6306","","5.5483","","90","","90","","90","","245.661","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","Na (Nb O3)","","- Na Nb O3 -","- Na Nb O3 -","- Na4 Nb4 O12 -","4","1","","Shanker, V.; Samal, S.L.; Narayana, C.; Pradhan, G.K.; Ganguli, A.K.","Nanocrystalline Na Nb O3 and Na Ta O3: Rietveld studies, Raman spectroscopy and dielectric properties","Solid State Sciences","2009","11","","562","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530406","7.475","","5.727","","17.927","","90","","90","","90","","767.443","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","Nd4 Ge O8","","- Ge Nd4 O8 -","- Ge Nd4 O8 -","- Ge4 Nd16 O32 -","4","1","","Merinov, B.V.; Masimov, B.A.; Dem'yanets, D.N.; Belov, N.V.","Crystal structure of the rare-earth germanate Nd4 Ge O8","Doklady Akademii Nauk SSSR","1978","241","","353","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531127","5.0634","","8.5898","","7.2781","","90","","90","","90","","316.551","","","","","","","","","","","","","8","P m c 21","P 2c -2","26","","(Sr0.48 Ce0.48 Ca0.02 Ba0.01) (Sr0.5 Ce0.5) (C O3)2 ((O H)0.84 F0.14) (H2 O)0.9","","- C2 H2.64 Ba0.01 Ca0.02 Ce0.98 F0.14 O7.74 Sr0.98 -","- C2 Ba0.01 Ca0.016 Ce0.974 F0.14 O7.74 Sr0.984 -","- C4 Ba0.02 Ca0.032 Ce1.948 F0.28 O15.48 Sr1.968 -","2","0.5","","Belovitskaya, Yu.V.; Pekov, I.V.; Gobechiya, E.R.; Chukanov, N.V.; Kabalov, Yu.K.; Yamnova, N.A.; Schneider, J.","Crystal structures of two ancylite modifications","Kristallografiya","2002","47","","259","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1532245","12.36","","5.09","","10.26","","90","","90","","90","","645.481","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Li K (Zn P2 O7)","","- K Li O7 P2 Zn -","- K Li O7 P2 Zn -","- K4 Li4 O28 P8 Zn4 -","4","1","","Shepelev, Yu.F.; Lapshin, A.E.; Petrova, M.A.; Novikova, A.S.","Crystal structures of Na2 Zn P2 O7, K2 Zn P2 O7 and Li K Zn P2 O7 phases in the (M2 O) - (Zn O) - (P2 O5) glass-forming system (M = Li, Na and K)","Glass Physics and Chemistry","2002","28","","317","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532303","9.181","","4.8","","9.811","","90","","90","","90","","432.359","","","","","","","","","","","","","6","P m c 21","P 2c -2","26","","(Na3.9 Fe0.1) (Ti1.86 Fe0.14 O1.96 (O H)0.04) (Si O4)2","","- Fe0.24 H0.04 Na3.9 O10 Si2 Ti1.86 -","- Fe0.24 Na3.9 O10 Si2 Ti1.86 -","- Fe0.48 Na7.8 O20 Si4 Ti3.72 -","2","0.5","","Sokolova, E.; Hawthorne, F.C.","Reconsideration of the crystal structure of paranatisite and the crystal chemistry of ((6)M2 (4)T2 phi12) sheets","Canadian Mineralogist","2002","40","","947","960","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532755","6.14925","","3.93794","","7.83367","","90","","90","","90","","189.695","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","Li S H","","- H Li S -","- H Li S -","- H4 Li4 S4 -","4","1","","Winkler, B.; Hytha, M.; Milman, V.","The low-temperature structure of Li S H","Phase Transition","2003","76","","187","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533598","3.9089","","6.8627","","12.34","","90","","90","","90","","331.028","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","","","- Ni1.297 Te -","- Ni1.2975 Te -","- Ni10.38 Te8 -","8","2","","Gulay, L.D.; Olekseyuk, I.D.","Crystal structures of the compounds Ni3 Te2, Ni3-d Te2 (d = 0.12) and Ni1.29 Te","Journal of Alloys Compd.","2004","376","","131","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533907","5.0722","","4.4704","","7.5309","","90","","90","","90","","170.761","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","Se O2","","- O2 Se -","- O2 Se -","- O8 Se4 -","4","1","","Orosel, D.; Leynaud, O.; Balog, P.; Jansen, M.","Pressure-temperature phase diagram of Se O2. Characterization of new phases","Journal of Solid State Chemistry","2004","177","","1631","1638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533909","5.071","","4.4832","","14.9672","","90","","90","","90","","340.269","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","Se O2","","- O2 Se -","- O2 Se -","- O16 Se8 -","8","2","","Orosel, D.; Leynaud, O.; Balog, P.; Jansen, M.","Pressure-temperature phase diagram of Se O2. Characterization of new phases","Journal of Solid State Chemistry","2004","177","","1631","1638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536454","7.623","","10.479","","7.855","","90","","90","","90","","627.469","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Cs Eu Na (Nb5 O15)","","- Cs Eu Na Nb5 O15 -","- Cs Eu Na Nb5 O15 -","- Cs2 Eu2 Na2 Nb10 O30 -","2","0.5","","Dion, M.; Ganne, M.; Tournoux, M.; Ravez, J.","Cs Eu Na Nb5 O15: Premier membre d'une nouvelle famille ferroelectrique","Journal of Solid State Chemistry","1984","53","","422","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536769","9.67","","11.758","","14.521","","90","","90","","90","","1651.04","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","Mg (P4 O11)","","- Mg O11 P4 -","- Mg O11 P4 -","- Mg8 O88 P32 -","8","2","","Yakubovich, O.V.; Dimitrova, O.V.; Vidrevich, A.I.","Magnesium ultraphosphate Mg P4 O11: growth and crystal structure.","Kristallografiya","1993","38","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540810","10.92","","4.974","","3.09","","90","","90","","90","","167.837","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","Nb2 C","","- C Nb2 -","- C Nb2 -","- C4 Nb8 -","4","1","","Yvon, K.; Kieffer, R.; Nowotny, H.","Die Kristallstruktur der Subcarbide von Uebergangsmetallen","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1967","98","","34","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541279","4.016","","33.744","","11.472","","90","","90","","90","","1554.64","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Bi11 Cu Pb S14 Se4","","- Bi11.3 Cu0.7 Pb0.7 S14.94 Se3.06 -","- Bi11.3 Cu0.7 Pb0.7 S14.94 Se3.06 -","- Bi22.6 Cu1.4 Pb1.4 S29.88 Se6.12 -","2","0.5","","Mumme, W.G.; Watts, J.A.","Pekoite, Cu Pb Bi11 S18 , a new member of the bismuthinite-aikinite mineral series; its crystal structure and relationship with naturally- and synthetically-formed members","Canadian Mineralogist","1976","14","","322","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","172570","2020-10-21","18:00:00",""
"1559231","17.674","0.006","9.765","0.003","8.117","0.002","90","","90","","90","","1400.9","0.7","","","143","","","","","","","","","3","P m c 21","P 2c -2","26","cis-3,7-Bis(hydroxymethyl)-3,7-dimethyl-1,5,9-trioxacyclododecane","","","- C13 H26 O5 -","- C13 O5 -","- C52 O20 -","4","1","","Dale, Johannes; Fredriksen, Siw B.; Romming, Christian","The Conformation of cis-3,7-Bis(hydroxymethyl)-3,7-dimethyl-1,5,9-trioxacyclododecane","Acta Chemica Scandinavica","1992","46","","799","801","10.3891/acta.chem.scand.46-0799","","x-ray","0.71069","MoKα","","","0.055","","","0.041","","","","","","","1.54","","","","has coordinates","256885","2020-10-21","18:00:00",""
"1560609","18.3101","0.0018","33.5","0.002","16.723","0.0015","90","","90","","90","","10257.7","1.5","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C36 H17 O24 Zn4 -","- C36 H17 O24 Zn4 -","- C144 H68 O96 Zn16 -","4","1","","Wang, Kun; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quan-Guo","A pillar-layered metal-organic framework as luminescent sensor for selective and reversible response of chloroform","Journal of Solid State Chemistry","2017","247","","39","42","10.1016/j.jssc.2016.12.023","","","0.71073","MoKα","","0.1548","0.0926","","","0.2425","0.2548","","","","","","1.064","","","","has coordinates","262190","2021-02-24","10:08:11",""
"1561314","17.99","0.005","5.672","0.0015","6.8519","0.0017","90","","90","","90","","699.2","0.3","293.15","","293.15","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C6 H2 O4 Pb S -","- C6 H2 O4 Pb S -","- C24 H8 O16 Pb4 S4 -","4","1","","Lin, Jian-Di; Rong, Cheng; Lv, Ri-Xin; Wang, Zu-Jian; Long, Xi-Fa; Guo, Guo-Cong; Pan, Chun-Yang","A 3D metal-organic framework with a pcu net constructed from lead(II) and thiophene-2, 5-dicarboxylic acid: Synthesis, structure and ferroelectric property","Journal of Solid State Chemistry","2018","257","","34","39","10.1016/j.jssc.2017.09.001","","","0.71073","MoKα","","0.0495","0.0471","","","0.1187","0.1228","","","","","","1.078","","","","has coordinates,has disorder","263400","2021-03-29","06:56:00",""
"1563776","3.48438","0.00006","9.15112","0.00014","5.48253","0.00008","90","","90","","90","","174.816","0.005","293","","293","","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Mo Pt2 Si3 -","- Mo Pt2 Si3 -","- Mo2 Pt4 Si6 -","2","0.5","","Joubert, J.-M.; Tokaychuk, Ya.; Černý, R.","Crystal structures of three intermetallic phases in the Mo‒Pt‒Si system","Journal of Solid State Chemistry","2010","183","1","173","179","10.1016/j.jssc.2009.11.006","powder diffraction","","","CuKα","","","","","","","","","3.8415","","","","","","","","has coordinates","266773","2021-06-29","10:09:22",""
"1565274","28.6595","0.0005","8.9864","0.0002","13.6296","0.0002","90","","90","","90","","3510.25","0.11","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C36 H22 N2 S3 -","- C36 H22 N2 S3 -","- C144 H88 N8 S12 -","4","1","","Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen","Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations","Materials Horizons","2021","","","","","10.1039/D1MH01360B","","x-ray","1.54184","CuKα","","0.0628","0.057","","","0.1593","0.1656","","","","","","1.035","","","","has coordinates","270712","2021-11-17","02:58:18",""
"1565276","29.9077","0.0002","9.2309","0.0001","12.7695","0.0001","90","","90","","90","","3525.34","0.05","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C36 H22 N2 O S2 -","- C36 H22 N2 O S2 -","- C144 H88 N8 O4 S8 -","4","1","","Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen","Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations","Materials Horizons","2021","","","","","10.1039/D1MH01360B","","x-ray","1.54184","CuKα","","0.0347","0.0312","","","0.0883","0.0915","","","","","","1.039","","","","has coordinates","270712","2021-11-17","02:58:32",""
"1575253","4.366","0.0003","9.7804","0.0004","18.0733","0.0008","90","","90","","90","","771.75","0.07","99.97","0.1","100.15","","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C12 I2 N2 Pb -","- C12 I2 N2 Pb -","- C24 I4 N4 Pb2 -","2","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71","MoKα","","0.051","0.0475","","","0.1089","0.1114","","","","","","1.218","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"2013525","5.062","0.0002","5.223","0.0003","16.006","0.0009","90","","90","","90","","423.18","0.04","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","caesium lithium sulfate","","- Cs1.15 Li2.85 O8 S2 -","- Cs1.15 Li2.85 O8 S2 -","- Cs2.3 Li5.7 O16 S4 -","2","0.5","TA1399","Lima, Ricardo J. C.; Sasaki, Jose M.; Ayala, Alejandro P.; Freire, Paulo T. C.; Mendes-Filho, Josue; Melo, Francisco E. A.; Ellena, Javier; Santos-Jr, Sauli","New crystals in the lithium sulfate family","Acta Crystallographica Section C","2003","59","7","i67","i70","10.1107/S0108270103004785","","","0.71073","MoKα","","0.0445","0.0444","","","0.1324","0.1325","","","","","","1.069","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016522","11.0513","0.0009","10.2765","0.0006","8.7052","0.0006","90","","90","","90","","988.64","0.12","301","2","301","2","","","","","","","","4","P m c 21","P 2c -2","26","","Dirubidium divanadyl phyllo-octasilicate","","- O21 Rb2 Si8 V2 -","- O21 Rb2 Si8 V2 -","- O42 Rb4 Si16 V4 -","2","0.5","SQ3119","Prinz, Sebastian; Sparta, Karine M.; Roth, Georg","The diphyllosilicate Rb~2~(VO)~2~[Si~8~O~19~]","Acta Crystallographica Section C","2008","64","3","i27","i29","10.1107/S0108270107068205","","","0.71073","MoKα","","0.0395","0.0326","","","0.0619","0.0652","","","","","","1.101","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104791","5.89406","0.00017","8.38619","0.00023","8.24063","0.00022","90","","90","","90","","407.32","0.02","215","1","","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C H6 Br3 N Sn -","- C Br3 N Sn -","- C2 Br6 N2 Sn2 -","2","0.5","KD5041","Swainson, Ian; Chi, Lisheng; Her, Jae-Hyuk; Cranswick, Lachlan; Stephens, Peter; Winkler, Björn; Wilson, Daniel J.; Milman, Victor","Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH~3~NH~3~SnBr~3~","Acta Crystallographica Section B","2010","66","4","422","429","10.1107/S0108768110014734","powder diffraction","","0.700136","synchrotron","","","","","","","0.0876","","0.0687","2.011","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2217451","14.993","0.003","8.0948","0.0017","9.259","0.002","90","","90","","90","","1123.7","0.4","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","<i>catena</i>-Poly[[[aqua(propane-1,3-diamine-κ^2^N,N')copper(II)]-μ-fumarato-κ^2^O:O'] monohydrate]","","- C7 H16 Cu N2 O6 -","- C7 H16 Cu N2 O6 -","- C28 H64 Cu4 N8 O24 -","4","1","CI2545","Padmanabhan, M.; Joseph, James C.; Olsson, Susanne; Bakir, Mohammed","<i>catena</i>-Poly[[[aqua(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-fumarato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2008","64","2","m303","m304","10.1107/S1600536808000160","","","0.71073","MoKα","","0.0495","0.0408","","","0.0939","0.0962","","","","","","1.139","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240568","5.327","0.005","9.079","0.004","9.718","0.006","90","","90","","90","","470","0.6","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","Sodium dirubidium trinitrate","","- N3 Na O9 Rb2 -","- N3 Na O9 Rb2 -","- N6 Na2 O18 Rb4 -","2","0.5","VN2090","Ksiksi, Nesrine; Driss, Mohamed; Hellali, Dalila; Guesmi, Abderrahmen; Zamali, Hmida","Le nitrate double NaRb~2~(NO~3~)~3~, composé intermédiaire du système binaire isobare NaNO~3~ + RbNO~3~: études thermiques et cristallographiques","Acta Crystallographica Section E","2015","71","5","455","458","10.1107/S2056989015006532","","","0.71073","MoKα","","0.0316","0.0243","","","","0.0618","","","","","","0.828","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2243201","10.1068","0.0005","8.8168","0.0006","16.2628","0.0009","90","","90","","90","","1449.17","0.15","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","Pyridinium tetraisothiocyanatobis(pyridine)chromium(III) pyridine monosolvate","","- C24 H21 Cr N8 S4 -","- C24 H21 Cr N8 S4 -","- C48 H42 Cr2 N16 S8 -","2","0.5","LH5933","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate","Acta Crystallographica Section E","2019","75","12","1875","1879","10.1107/S2056989019014488","","","0.71073","MoKα","","0.0667","0.0428","","","0.0924","0.1056","","","","","","1.024","","","","has coordinates,has Fobs","227944","2020-10-21","18:00:00",""
"2310705","4.06","","5.15","","8.87","","90","","90","","90","","185.463","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","K F (H2 O)2","","- F H4 K O2 -","- F H4 K O2 -","- F2 H8 K2 O4 -","2","0.5","","Anderson, T. H.; Lingafelter, E. C.","The structure of potassium fluoride dihydrate","Acta Crystallographica (1,1948-23,1967)","1951","4","","181","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"3000597","11.24904","0.00051","5.56546","0.00021","5.45965","0.00018","90","","90","","90","","341.81","0.02","","","295","","","","","","","","","5","P m c 21","P 2c -2","","","Lanthanum dicalcium diiron monochromium octaoxide-red","","- Ca2 Cr Fe2 La O7.5 -","","","","","","Pidburtnyi, Mykhailo; Calderon, Oliver; Aydogdu, Irfan; Trudel, Simon; Ponnurangam, Sathish; Paulson, Scott; Birss, Viola","Insights into structural ordering of LCFCr perovskites under reducing conditions","To be published","","","","","","","","x-ray","1.54229","","","","","","","","","","","1.4169","","","","","","","","300112","2025-06-18","03:18:48","2026-02-25"
"3000598","11.33673","0.00065","5.51274","0.00025","5.45531","0.00023","90","","90","","90","","340.94","0.03","","","295","","","","","","","","","5","P m c 21","P 2c -2","","","Lanthanum dicalcium diiron monochromium octaoxide-ox","","- Ca2 Cr Fe2 La O7.5 -","","","","","","Pidburtnyi, Mykhailo; Calderon, Oliver; Aydogdu, Irfan; Trudel, Simon; Ponnurangam, Sathish; Paulson, Scott; Birss, Viola","Insights into structural ordering of LCFCr perovskites under reducing conditions","To be published","","","","","","","","x-ray","1.54229","","","","","","","","","","","1.2753","","","","","","","","300113","2025-06-18","03:21:56","2026-02-25"
"4002309","6.4394","","7.4299","","9.854","","90","","90","","90","","471.456","","","","","","","","","","","","","6","P m c 21","P 2c -2","26","","(N H4) (Co2 (H2 O)2 H V O2 (P O4)2)","","- Co2 H9 N O12 P2 V -","- Co2 N O12 P2 V -","- Co4 N2 O24 P4 V2 -","2","0.5","","Boudin, S.; Raveau, B.; Chardon, J.","A novel cobalt(II) vanadophosphate with a quasi zeolithic intersecting tunnel structure N H4 Co2 (H2 O)2 H V O2 (P O4)2","Chemistry of Materials (1,1989-)","2001","13","","4101","4104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031115","25.014","0.003","12.749","0.0013","18.2583","0.0019","90","","90","","90","","5822.6","1.1","200","2","200","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C55 H75 Cl O4 P2 Pd2 -","- C55 H75 Cl O4 P2 Pd2 -","- C220 H300 Cl4 O16 P8 Pd8 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.1578","0.0617","","","0.0961","0.1215","","","","","","1.033","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4038931","23.974","0.002","7.3487","0.0007","22.763","0.002","90","","90","","90","","4010.3","0.6","120","","120","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C49 H38 N2 O5 S3 -","- C49 H38 N2 O5 S3 -","- C196 H152 N8 O20 S12 -","4","1","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.1254","0.1015","","","0.2622","0.2804","","","","","","1.054","","","","has coordinates,has disorder","301828","2025-08-20","10:33:24",""
"4065769","11.4088","0.0014","8.4128","0.0011","16.984","0.002","90","","90","","90","","1630.1","0.3","208","2","208","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C15 H15 F3 O4 W -","- C15 H14 F3 O4 W -","- C60 H56 F12 O16 W4 -","4","1","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and Structural Characterization of New Perfluoroacyl and Perfluoroalkyl Group 6 Transition Metal Compounds","Organometallics","2010","29","8","1948","","10.1021/om1001183","","","0.71073","MoKα","","0.0267","0.0264","","","0.0631","0.0633","","","","","","1.055","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065991","20.736","0.007","15.146","0.005","15.715","0.005","90","","90","","90","","4936","3","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C38 H42 Ir2 N2 O4 -","- C38 H42 Ir2 N2 O4 -","- C152 H168 Ir8 N8 O16 -","4","1","","Yu, Wei-Bin; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Cleavage of C−H Bonds for Building Tetranuclear Half-Sandwich Iridium Macrocycles with Ortho-Metalated Spacers","Organometallics","2010","29","12","2827","","10.1021/om1002396","","","0.71073","MoKα","","0.0873","0.0423","","","0.078","0.0843","","","","","","0.721","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4077587","23.7934","0.0015","10.368","0.0006","18.3065","0.0011","90","","90","","90","","4516","0.5","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C36 H65 B10 K O8 -","- C36 H49 B10 K O8 -","- C144 H196 B40 K4 O32 -","4","1","","Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei","Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System","Organometallics","2000","19","25","5447","","10.1021/om000547m","","","0.71073","MoKα","","0.1759","0.0613","","","0.1425","0.1868","","","","","","0.856","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4101825","15.654","0.001","15.9467","0.0011","11.6268","0.0008","90","","90","","90","","2902.4","0.3","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C22 H13 N2 O4 Zn -","- C22 H13 N2 O4 Zn -","- C88 H52 N8 O16 Zn4 -","4","1","","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","","","0.41823","","","0.0908","0.0802","","","0.2087","0.2204","","","","","","0.837","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4103943","7.5357","0.0002","13.7783","0.0006","28.0807","0.0008","90","","90","","90","","2915.59","0.17","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Bi Cs5 P4 Se12 -","- Bi Cs5 P4 Se12 -","- Bi4 Cs20 P16 Se48 -","4","1","","In Chung; Jung-Hwan Song; Joon I. Jang; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis","Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation","Journal of the American Chemical Society","2009","131","","2647","2656","10.1021/ja808242g","","","0.71073","MoKα","","0.079","0.0626","","","0.1151","0.1207","","","","","","1.077","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4105284","19.584","0.0007","12.5029","0.0005","17.3314","0.0006","90","","90","","90","","4243.7","0.3","113","2","113","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- C36 Rh Zn9 -","- C36 Rh Zn9 -","- C144 Rh4 Zn36 -","4","1","","Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer","Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands","Journal of the American Chemical Society","2009","131","","16063","16077","10.1021/ja904061w","","","0.71073","MoKα","","0.0854","0.0399","","","0.0927","0.1402","","","","","","0.916","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4107137","13.0809","0.0018","7.9962","0.0011","17.398","0.002","90","","90","","90","","1819.8","0.4","143","2","143","2","","","","","","","","6","P m c 21","P 2c -2","26","Tp*CoNO","bergman04","","- C15 H22 B Co N7 O -","- C15 H22 B Co N7 O -","- C60 H88 B4 Co4 N28 O4 -","4","1","","Neil C. Tomson; Mark R. Crimmin; Taras Petrenko; Lauren E. Rosebrugh; Stephen Sproules; W. Christopher Boyd; Robert G. Bergman; Serena DeBeer; F. Dean Toste; Karl Wieghardt","A Step beyond the Feltham-Enemark Notation: Spectroscopic and Correlated ab Initio Computational Support for an Antiferromagnetically Coupled M(II)-(NO)-Description of Tp*M(NO) (M = Co, Ni)","Journal of the American Chemical Society","2011","133","","18785","18801","10.1021/ja206042k","","","0.71073","MoKα","","0.0591","0.0395","","","0.074","0.0827","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4108343","3.7079","0.001","15.074","0.005","18.491","0.006","90","","90","","90","","1033.5","0.6","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- K P Se6 Zr -","- K P Se6 Zr -","- K4 P4 Se24 Zr4 -","4","1","","Santanu Banerjee; Christos D. Malliakas; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis","1/\ιnfty[ZrPSe6-]: A Soluble Photoluminescent Inorganic Polymer and Strong Second Harmonic Generation Response of Its Alkali Salts","Journal of the American Chemical Society","2008","130","","12270","12272","10.1021/ja804166m","","","0.40663","synchrotron","","0.1885","0.0644","","","0.122","0.1646","","","","1.52","1.52","1.35","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110204","7.3912","0.0012","12.0564","0.0019","14.037","0.002","90","","90","","90","","1250.9","0.3","173","2","173","2","","","","","","","","5","P m c 21","P 2c -2","26","guanidinium 2,4-dimethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0274","0.0252","","","0.068","0.0688","","","","","","1.158","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4124640","5.794","","5.113","","9.919","","90","","90","","90","","293.848","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","((H2 N) N2) (Sb F6)","","- F6 H2 N3 Sb -","- F6 H2 N3 Sb -","- F12 H4 N6 Sb2 -","2","0.5","","Christe, K.O.; Wilson, W.W.; Dixon, D.A.; Lu, R.; Khan, S.I.; Bau, R.; Metzenthin, T.","The aminodiazonium cation, H2 N3+","Journal of the American Chemical Society","1993","115","","1836","1843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125072","4.358","0.0009","14.881","0.003","7.59","0.0015","90","","90","","90","","492.22","0.17","153","2","153","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ba Hg Se2 -","- Ba Hg Se2 -","- Ba4 Hg4 Se8 -","4","1","","Li, Chao; Yin, Wenlong; Gong, Pifu; Li, Xiaoshuang; Zhou, Molin; Mar, Arthur; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Trigonal Planar [HgSe3](4-) Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability.","Journal of the American Chemical Society","2016","138","19","6135","6138","10.1021/jacs.6b03107","","","0.71073","MoKα","","0.0883","0.0679","","","0.133","0.1445","","","","","","0.99","","","","has coordinates","183575","2020-10-21","18:00:00",""
"4130642","13.5285","0.0018","8.4191","0.0012","15.857","0.002","90","","90","","90","","1806.1","0.4","90","","90","","","","","","","","","3","P m c 21","P 2c -2","26","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Kajitani, Takashi; Shoji, Yoshiaki; Hikima, Takaaki; Takata, Masaki; Saeki, Akinori; Seki, Shu; Yamada, Yoichi M. A.; Fukushima, Takanori","Supramolecular Scaffold for Tailoring the Two-Dimensional Assembly of Functional Molecular Units into Organic Thin Films.","Journal of the American Chemical Society","2016","138","36","11727","11733","10.1021/jacs.6b05513","","","0.71073","MoKα","","0.0394","0.0371","","","0.096","0.0975","","","","","","1.066","","","","has coordinates","241034","2020-10-21","18:00:00",""
"4134460","7.2242","0.0003","8.8678","0.0004","15.7698","0.0007","90","","90","","90","","1010.26","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0421","0.0397","","","0.0999","0.1013","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134461","7.1947","0.0002","8.718","0.0002","15.6452","0.0005","90","","90","","90","","981.32","0.05","93","2","93","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 F N Zn -","- C4 H11 Cl3 F N Zn -","- C16 H44 Cl12 F4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0243","0.0241","","","0.0626","0.0627","","","","","","1.001","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134462","7.1748","0.0004","9.1116","0.0005","17.2922","0.001","90","","90","","90","","1130.46","0.11","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Br Cl3 N Zn -","- C4 H11 Br Cl3 N Zn -","- C16 H44 Br4 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0712","0.0611","","","0.1633","0.1693","","","","","","1.043","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134463","7.174","0.0003","9.1468","0.0004","17.7179","0.0006","90","","90","","90","","1162.63","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H11 Cl3 I N Zn -","- C4 H11 Cl3 I N Zn -","- C16 H44 Cl12 I4 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0548","0.0512","","","0.1217","0.1234","","","","","","1.174","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134466","7.2453","0.0003","8.8632","0.0004","15.4226","0.0008","90","","90","","90","","990.39","0.08","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C4 H12 Cl3 N Zn -","- C4 H12 Cl3 N Zn -","- C16 H48 Cl12 N4 Zn4 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0338","0.0333","","","0.0839","0.0842","","","","","","1.058","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4301398","7.6975","0.0003","7.9969","0.0003","15.8435","0.0006","90","","90","","90","","975.26","0.06","150","2","150","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C15 H20 Fe N9 Na O3 -","- C15 H14 Fe N9 Na O3 -","- C30 H28 Fe2 N18 Na2 O6 -","2","0.5","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; James Raftery; Rachel Shaw; Catherine A. Swanson; Inge Asselberghs; Koen Clays; Bruce S. Brunschwig; Anthony G. Fitch","Nonlinear Optical and Related Properties of Iron(II) Pentacyanide Complexes with Quaternary Nitrogen Electron Acceptor Units","Inorganic Chemistry","2009","48","","1370","1379","10.1021/ic801224u","","","0.6926","synchrotron","","0.038","0.0372","","","0.104","0.1051","","","","","","1.097","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4303080","7.235","0.0014","8.821","0.0018","15.303","0.003","90","","90","","90","","976.6","0.3","173","0.2","173","0.2","","","","","","","","5","P m c 21","P 2c -2","26","","Tetramethylammonium Zinc Chloride","","- C4 H12 Cl3 N Zn -","- C4 H13 Cl3 N Zn -","- C16 H52 Cl12 N4 Zn4 -","4","1","","Myung-Ho Choi; Sang-Hwan Kim; Hong-Young Chang; P. Shiv Halasyamani; Kang Min Ok","New Noncentrosymmetric Material - [N(CH3)4]ZnCl3: Polar Chains of Aligned ZnCl4 Tetrahedra","Inorganic Chemistry","2009","48","","8376","8382","10.1021/ic901064q","","","0.71073","MoKα","","0.0381","0.0277","","","0.0523","0.0898","","","","","","1.283","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303892","7.054","0.003","6.48","0.002","12.735","0.005","90","","90","","90","","582.1","0.4","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- H2 Mn Mo O7 Se -","- H2 Mn Mo O7 Se -","- H8 Mn4 Mo4 O28 Se4 -","4","1","","Su-Yun Zhang; Hai-Long Jiang; Chuan-Fu Sun; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Five New Transition Metal Molybdenum(VI) Selenites and Tellurites","Inorganic Chemistry","2009","48","","11809","11820","10.1021/ic901855x","","","0.71073","MoKα","","0.0263","0.0239","","","0.0462","0.0467","","","","","","1.025","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4305660","5.2929","0.0008","6.7384","0.001","9.8478","0.0014","90","","90","","90","","351.23","0.09","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C5 H3 Br Cu N2 O2 -","- C5 H3 Br Cu N2 O2 -","- C10 H6 Br2 Cu2 N4 O4 -","2","0.5","","José Suárez-Varela; Antonio J. Mota; Hakima Aouryaghal; Joan Cano; A. Rodríguez-Diéguez; Dominique Luneau; Enrique Colacio","Anion Influence on the Structure and Magnetic Properties of a Series of Multidimensional Pyrimidine-2-carboxylato-Bridged Copper(II) Complexes","Inorganic Chemistry","2008","47","","8143","8158","10.1021/ic800625w","","","0.71073","MoKα","","0.0295","0.027","","","0.0745","0.0767","","","","","","1.097","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4313307","7.386","0.003","14.614","0.005","14.417","0.005","90","","90","","90","","1556.2","1","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","CsSnAs2S9","","- As2 Cs2 S9 Sn -","- As2 Cs2 S9 Sn -","- As8 Cs8 S36 Sn4 -","4","1","","Ratnasabapathy G. Iyer; Junghwan Do; Mercouri G. Kanatzidis","Flux Synthesis of the Noncentrosymmetric Cluster Compounds Cs2SnAs2Q9 (Q = S, Se) Containing Two Different Polychalcoarsenite β-[AsQ4]3- and [AsQ5]3- Ligands","Inorganic Chemistry","2003","42","","1475","1482","10.1021/ic0260771","","","0.71073","MoKα","","0.041","0.0399","","","0.1055","0.1068","","","","","","1.062","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4317667","11.9911","0.0007","5.7814","0.0003","11.2525","0.0006","90","","90","","90","","780.08","0.07","293","2","293","2","","","","","","","original synthesis","4","P m c 21","P 2c -2","26","","","","- O8 Pb Se2 U -","- O8 Pb Se2 U -","- O32 Pb4 Se8 U4 -","4","1","","Philip M. Almond; Thomas E. Albrecht-Schmitt","Hydrothermal Syntheses, Structures, and Properties of the New Uranyl Selenites Ag2(UO2)(SeO3)2, M[(UO2)(HSeO3)(SeO3)] (M = K, Rb, Cs, Tl), and Pb(UO2)(SeO3)2","Inorganic Chemistry","2002","41","","1177","1183","10.1021/ic0110732","","","0.71073","MoKα","","0.0196","0.0193","","0.0514","0.0512","","","","0.8","0.801","0.801","","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4319093","16.0441","0.001","13.227","0.0008","20.5919","0.0013","90","","90","","90","","4369.9","0.5","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- Al Cs4.5 K0.5 O47.5 W12 -","- Al Cs4.5 K0.5 O48.75 W12 -","- Al4 Cs18 K2 O195 W48 -","4","1","","Wade A. Neiwert; Jennifer J. Cowan; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock","Stability and Structure in α- and β-Keggin Heteropolytungstates, [Xn+W12O40](8-n)-, X = p-Block Cation","Inorganic Chemistry","2002","41","","6950","6952","10.1021/ic026023r","","","0.71073","MoKα","","0.0577","0.0554","","","0.1231","0.124","","","","","","1.166","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326941","8.183","0.0016","7.578","0.0015","8.6244","0.0017","90","","90","","90","","534.81","0.18","293","2","293","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Cs F13 Th3 -","- Cs F13 Th3 -","- Cs2 F26 Th6 -","2","0.5","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0379","0.0327","","","0.0687","0.0711","","","","","","1.02","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326943","8.1805","0.0016","7.4378","0.0015","8.6594","0.0017","90","","90","","90","","526.88","0.18","293","2","293","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- F13 Rb Th3 -","- F13 Rb Th3 -","- F26 Rb2 Th6 -","2","0.5","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0364","0.0301","","","0.055","0.0576","","","","","","1.093","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4330644","13.685","0.003","5.3346","0.0011","18.217","0.004","90","","90","","90","","1329.9","0.5","296","2","296","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- B Cd3 Na3 O16 P4 -","- B Cd3 Na3 O16 P4 -","- B4 Cd12 Na12 O64 P16 -","4","1","","Yunjing Shi; Shilie Pan; Xiaoyu Dong; Ying Wang; Min Zhang; Fangfang Zhang; Zhongxiang Zhou","Na3Cd3B(PO4)4: A New Noncentrosymmetric Borophosphate with Zero-Dimensional Anion Units","Inorganic Chemistry","2012","51","","10870","10875","10.1021/ic301351k","","","0.71073","MoKα","","0.0423","0.0389","","","0.1018","0.1049","","","","","","1.108","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4332370","12.4238","0.001","5.1394","0.0004","10.2685","0.0007","90","","90","","90","","655.65","0.09","140","2","140","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H15 Cs N2 O8 -","- C7 H15 Cs N2 O8 -","- C14 H30 Cs2 N4 O16 -","2","0.5","","Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.","Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts","Inorganic Chemistry","2006","45","16","6331","6337","10.1021/ic060297n","","","0.71073","MoKα","","0.0159","0.0159","","","0.0406","0.0406","","","","","","1.081","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332790","13.209","0.002","8.0823","0.0016","17.639","0.004","90","","90","","90","","1883.1","0.6","298","2","298","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C15 H20 B Br N6 Ni -","- C15 H20 B Br N6 Ni -","- C60 H80 B4 Br4 N24 Ni4 -","4","1","","Desrochers, Patrick J.; Telser, Joshua; Zvyagin, S. A.; Ozarowski, Andrew; Krzystek, J.; Vicic, David A.","Electronic Structure of Four-CoordinateC3vNickel(II) Scorpionate Complexes: Investigation by High-Frequency and -Field Electron Paramagnetic Resonance and Electronic Absorption Spectroscopies","Inorganic Chemistry","2006","45","22","8930","8941","10.1021/ic060843c","","","0.7107","MoKα","","0.0683","0.0532","","","0.1268","0.137","","","","","","1.062","","","","has coordinates","301839","2025-08-20","22:57:36",""
"4337237","4.0665","0.0008","19.859","0.004","11.873","0.002","90","","90","","90","","958.8","0.3","153","2","153","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Ce S6 Sn2 -","- Ba Ce S6 Sn2 -","- Ba4 Ce4 S24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.0455","0.0424","","","0.0933","0.095","","","","","","1.072","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337238","4.0478","0.0002","19.8914","0.0007","11.9303","0.0005","90","","90","","90","","960.58","0.07","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Pr S6 Sn2 -","- Ba Pr S6 Sn2 -","- Ba4 Pr4 S24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.0628","0.0563","","","0.1373","0.1448","","","","","","1.108","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337239","4.0098","0.0008","19.761","0.004","11.841","0.002","90","","90","","90","","938.3","0.3","153","2","153","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Nd S6 Sn2 -","- Ba Nd S6 Sn2 -","- Ba4 Nd4 S24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.0284","0.028","","","0.0656","0.0659","","","","","","1.057","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337240","4.1908","0.0008","20.749","0.004","12.406","0.003","90","","90","","90","","1078.8","0.4","153","2","153","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Ce Se6 Sn2 -","- Ba Ce Se6 Sn2 -","- Ba4 Ce4 Se24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.052","0.0471","","","0.1005","0.1039","","","","","","1.044","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4338516","7.9943","0.0006","7.3217","0.0005","8.4677","0.0006","90","","90","","90","","495.63","0.06","100","2","100","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- F13 Rb U3 -","- F13 Rb U3 -","- F26 Rb2 U6 -","2","0.5","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0417","0.04","","","0.1038","0.1053","","","","","","1.056","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4339566","12.3393","0.0019","7.4473","0.0012","6.0339","0.001","90","","90","","90","","554.48","0.15","293","","293","","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C12 H9 In O6 -","- C12 H9 In O6 -","- C24 H18 In2 O12 -","2","0.5","","Vougo-Zanda, Marie; Wang, Xiqu; Jacobson, Allan J.","Influence of ligand geometry on the formation of In-O chains in metal-oxide organic frameworks (MOOFs).","Inorganic chemistry","2007","46","21","8819","8824","10.1021/ic701126t","","","0.71073","MoKα","","0.0134","0.0134","","","0.0349","0.0349","","","","","","1.162","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4342326","4.7609","0.0005","9.168","0.001","7.8898","0.0008","90","","90","","90","","344.37","0.06","200","2","200","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ca In1.67 Na5 Sb4 -","- Ca In1.66 Na5 Sb4 -","- Ca In1.66 Na5 Sb4 -","1","0.25","","Wang, Yi; Stoyko, Stanislav; Bobev, Svilen","Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.","Inorganic chemistry","2015","54","4","1931","1939","10.1021/ic502822v","","","0.71073","MoKα","","0.0325","0.0301","","","0.0627","0.0637","","","","","","1.105","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342638","4.217","0.005","14.409","0.016","7.335","0.008","90","","90","","90","","445.7","0.9","296","2","296","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ba Hg S2 -","- Ba Hg S2 -","- Ba4 Hg4 S8 -","4","1","","Wu, Kui; Su, Xin; Pan, Shilie; Yang, Zhihua","Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7.","Inorganic chemistry","2015","54","6","2772","2779","10.1021/ic502939g","","","0.71073","MoKα","","0.0479","0.0318","","","0.0537","0.0581","","","","","","0.919","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4345177","6.8601","0.0002","10.0648","0.0004","18.7786","0.0006","90","","90","","90","","1296.58","0.08","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C9 H10 Ag I2 N S -","- C9 H10 Ag I2 N S -","- C36 H40 Ag4 I8 N4 S4 -","4","1","","Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng","Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures.","Inorganic chemistry","2017","56","4","1906","1918","10.1021/acs.inorgchem.6b02478","","","0.71073","MoKα","","0.0422","0.034","","","0.0792","0.0849","","","","","","1.043","","","","has coordinates","193432","2020-10-21","18:00:00",""
"4348622","17.4093","0.0016","5.0929","0.0003","20.4991","0.0013","90","","90","","90","","1817.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C15 H12 Ag F0 N8 Sb0 -","- C15 H12 Ag N8 -","- C60 H48 Ag4 N32 -","4","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0652","0.0607","","","0.1798","0.1854","","","","","","1.042","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4502072","19.669","0.0013","14.5135","0.001","9.7746","0.0007","90","","90","","90","","2790.3","0.3","200","2","200","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C18 H19 Cl2 N12 Ni O8 -","- C18 H18 Cl2 N12 Ni O8 -","- C72 H72 Cl8 N48 Ni4 O32 -","4","1","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries","Crystal Growth & Design","2010","10","11","4898","","10.1021/cg100958r","","","0.7107","MoKα","","0.0912","0.0774","","","0.2157","0.2312","","","","","","1.038","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4519274","53.477","0.004","8.4509","0.0006","8.4407","0.0005","90","","90","","90","","3814.6","0.5","284","2","284","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H38 Br12 N4 Pb3 -","- C12 H38 Br12 N4 Pb3 -","- C48 H152 Br48 N16 Pb12 -","4","1","","Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua","Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite.","ACS applied materials & interfaces","2022","14","4","5608","5614","10.1021/acsami.1c21262","","","0.71073","MoKα","","0.1231","0.0674","","","0.1703","0.207","","","","","","0.99","","","","has coordinates","272444","2022-02-03","20:01:44",""
"6000075","8.526","","7.608","","11.696","","90","","90","","90","","758.67","","","","","","","","","","","","","4","P m c 21","","","","","","- Ba5 Cl4 O7 Ti2 -","","","","","","Ingle, S. G.; Patil, N. M.","New ferroelectric Ba~5~Ti~2~O~7~Cl~4~","Japanese Journal of Applied Physics, Part 1: Regular Papers, Brief Communications & Review Papers","2000","39","","2670","2674","10.1143/JJAP.39.2670","","","","","","","","","","","","","","","","","","","","","","188692","2020-10-21","18:00:00",""
"7005097","13.1151","0.0008","8.0075","0.0005","17.4989","0.0011","90","","90","","90","","1837.7","0.2","243","2","243","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C15 H22 B N7 Ni O -","- C15 H22 B N7 Ni O -","- C60 H88 B4 N28 Ni4 O4 -","4","1","","Landry, Victoria K.; Pang, Keliang; Quan, Stephanie M.; Parkin, Gerard","Tetrahedral nickel nitrosyl complexes with tripodal [N3] and [Se3] donor ancillary ligands: structural and computational evidence that a linear nitrosyl is a trivalent ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","8","820","824","10.1039/b616674a","","","0.71073","MoKα","","0.0703","0.0371","","","0.0821","0.0959","","","","","","1.005","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7017702","3.6276","0.0007","8.4068","0.0017","10.332","0.002","90","","90","","90","","315.09","0.11","93","2","93","","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ge3 Na P3 -","- Ge3 Na P3 -","- Ge6 Na2 P6 -","2","0.5","","Feng, Kai; Yin, Wenlong; He, Ran; Lin, Zheshuai; Jin, Shifeng; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","NaGe3P3: a new ternary germanium phosphide featuring an unusual [Ge3P7] ring.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","484","489","10.1039/c1dt11345c","","","0.71073","MoKα","","0.0583","0.0397","","","0.0739","0.0842","","","","","","1.058","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7019052","11.426","0.0013","9.8741","0.0008","21.0967","0.0016","90","","90","","90","","2380.2","0.4","173","2","173","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C21 H32 Fe0.5 K O7 -","- C21 H32 Fe0.5 K O7 -","- C84 H128 Fe2 K4 O28 -","4","1","","Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6671","6676","10.1039/c2dt00031h","","","0.71073","MoKα","","0.0547","0.0499","","","0.1317","0.1352","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023744","10.676","0.004","10.498","0.004","8.533","0.003","90","","90","","90","","956.4","0.6","100","2","100","2","","","","","","","","6","P m c 21","P 2c -2","26","","Fluorido(1,4,7,10,13,16-hexaoxacyclooctadecane)tin(II) hexafluorophosphate","","- C12 H24 F7 O6 P Sn -","- C12 H24 F7 O6 P Sn -","- C24 H48 F14 O12 P2 Sn2 -","2","0.5","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.0432","0.0381","","","0.087","0.0895","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029299","12.608","0.003","10.454","0.002","24.129","0.005","90","","90","","90","","3180.3","1.2","100","2","100","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C29 H50 B10 N2 O Ti -","- C29 H50 B10 N2 O Ti -","- C116 H200 B40 N8 O4 Ti4 -","4","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","1.5418","CuKα","","0.0487","0.0466","","","0.1237","0.1257","","","","","","1.033","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7039826","14.5133","0.0005","7.1167","0.0002","19.1502","0.0005","90","","90","","90","","1977.96","0.1","100","2","100","2","","","","","","","","7","P m c 21","P 2c -2","26","","","","- C36 H46 Au2 Br Cl N8 O3 -","- C36 H40 Au2 Br Cl N8 O3 -","- C72 H80 Au4 Br2 Cl2 N16 O6 -","2","0.5","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0975","0.0603","","","0.1367","0.1462","","","","","","1.008","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7052134","25.43","0.004","11.8649","0.0017","16.688","0.002","90","","90","","90","","5035.2","1.2","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C40 H63 Cu2 N10 O16.5 -","- C40 H60 Cu2 N10 O16.5 -","- C160 H240 Cu8 N40 O66 -","4","1","","Boiocchi, Massimo; Bonizzoni, Marco; Moletti, Alberto; Pasini, Dario; Taglietti, Angelo","Linear recognition of dicarboxylates by ditopic macrocyclic complexes","New Journal of Chemistry","2007","31","3","352","","10.1039/b616492g","","","0.71073","MoKα","","0.0976","0.0574","","","0.1447","0.1708","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053606","24.723","0.003","17.1669","0.0019","17.388","0.002","90","","90","","90","","7379.8","1.5","173","2","173","2","","","","","","","","5","P m c 21","P 2c -2","26","thf macrocycle","","","- C74 H92 Ag2 N14 O16 -","- C74 H92 Ag2.2 N14 O16 -","- C296 H368 Ag8.8 N56 O64 -","4","1","","Byrne, Peter; Lloyd, Gareth O.; Applegarth, Lucas; Anderson, Kirsty M.; Clarke, Nigel; Steed, Jonathan W.","Metal-induced gelation in dipyridyl ureas","New Journal of Chemistry","2010","34","10","2261","","10.1039/c0nj00278j","","","0.71073","MoKα","","0.0901","0.0617","","","0.1551","0.1711","","","","","","0.955","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7120852","13.2462","0.0005","27.7134","0.001","24.5341","0.0009","90","","90","","90","","9006.4","0.6","100","2","100","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C63 H73 N7 O23 Si2 Zn3 -","- C42 H24 O16 Si2 Zn3 -","- C168 H96 O64 Si8 Zn12 -","4","1","","Delmas, Luke C.; Horton, Peter N.; White, Andrew J. P.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Siloxane-based linkers in the construction of hydrogen bonded assemblies and porous 3D MOFs","Chemical Communications","2017","","","","","10.1039/C7CC06022J","","x-ray","0.71075","MoKα","K-L~3~","0.1192","0.087","","","0.2269","0.2552","","","","","","0.986","","","","has coordinates,has disorder","202870","2020-10-21","18:00:00",""
"7124100","35.489","0.002","8.9539","0.0006","10.3479","0.0009","90","","90","","90","","3288.2","0.4","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H27 Cl4 Ga O7 -","- C12 H27 Cl4 Ga O7 -","- C72 H162 Cl24 Ga6 O42 -","6","1.5","","Zhang, Han-Yue; Lu, Si-Qi; Chen, Xin; Xiong, Ren-Gen; Tang, Yuan-Yuan","The First High-Temperature Multiaxial Ferroelectric Host-Guest Inclusion Compound","Chemical Communications","2019","","","","","10.1039/C9CC05900H","","","0.71073","MoKα","","0.1098","0.0457","","","0.087","0.1047","","","","","","1.007","","","","has coordinates","217925","2020-10-21","18:00:00",""
"7124101","35.43","0.003","8.7631","0.0006","10.0221","0.0007","90","","90","","90","","3111.6","0.4","93","2","93","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H27 Cl4 Ga O7 -","- C12 H27 Cl4 Ga O7 -","- C72 H162 Cl24 Ga6 O42 -","6","1.5","","Zhang, Han-Yue; Lu, Si-Qi; Chen, Xin; Xiong, Ren-Gen; Tang, Yuan-Yuan","The First High-Temperature Multiaxial Ferroelectric Host-Guest Inclusion Compound","Chemical Communications","2019","","","","","10.1039/C9CC05900H","","","0.71073","MoKα","","0.0809","0.068","","","0.177","0.1863","","","","","","1.054","","","","has coordinates","217925","2020-10-21","18:00:00",""
"7126998","10.366","0.003","8.964","0.003","17.126","0.006","90","","90","","90","","1591.4","0.9","100","2","99.99","","","","","","","","","8","P m c 21","P 2c -2","26","","","","- C32 H31 Cl F6 N5 O P Ru -","- C32 H31 Cl F6 N5 O P Ru -","- C64 H62 Cl2 F12 N10 O2 P2 Ru2 -","2","0.5","","Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.","A metastable Ru<sup>III</sup> azido complex with metallo-Staudinger reactivity.","Chemical communications (Cambridge, England)","2020","56","73","10738","10741","10.1039/d0cc04426a","","x-ray","0.71073","MoKα","","0.0252","0.0237","","","0.0575","0.0584","","","","","","1.064","","","","has coordinates,has disorder","257232","2020-10-21","18:00:00",""
"7133781","7.3448","0.0005","7.0749","0.0006","14.0244","0.0012","90","","90","","90","","728.76","0.1","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H18 Cl4 Ga N -","- C7 H18 Cl4 Ga N -","- C14 H36 Cl8 Ga2 N2 -","2","0.5","","Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval.","Chemical communications (Cambridge, England)","2024","60","83","11992","11995","10.1039/d4cc04031g","","","0.71073","MoKα","","0.1088","0.0792","","","0.2302","0.255","","","","","","1.074","","","","has coordinates,has disorder","296266","2024-12-06","15:01:00",""
"7201757","48.1953","0.001","8.2248","0.0002","7.9892","0.0002","90","","90","","90","","3166.89","0.13","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C28 H36 Cd Cl6 N4 -","- C27.995 H36 Cd Cl6 N4 -","- C111.98 H144 Cd4 Cl24 N16 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0771","0.0693","","","0.1715","0.1776","","","","","","1.13","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7207649","6.2611","0.0013","6.4887","0.0013","12.483","0.003","90","","90","","90","","507.14","0.19","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H12 Ag N5 S -","- C7 H12 Ag N5 S -","- C14 H24 Ag2 N10 S2 -","2","0.5","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.019","0.019","","","0.0534","0.0534","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7223707","7.4392","","14.977","","15.4008","","90","","90","","90","","1715.91","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Sc O H ((C H3) S O3)2","","- C2 H7 O7 S2 Sc -","- C2 O7 S2 Sc -","- C16 O56 S16 Sc8 -","8","2","","Wickleder, M.S.; Mueller, I.","Sc O H (C H3 S O3)2, a basic methanesulfonate of scandium with chain structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7231805","3.70154","0.00003","7.20487","0.00008","16.0004","0.00017","90","","90","","90","","426.716","0.007","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)nickel","catena-dibromo-(3-cyanopyridine)nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00547","1.282","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231808","3.772","0.002","7.251","0.002","16.31","0.008","90","","90","","90","","446.1","0.3","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)ferrat","catena-dibromo-(3-cyanopyridine)ferrat","","- C6 H4 Br2 Fe N2 -","- C6 H4 Br2 Fe N2 -","- C12 H8 Br4 Fe2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01075","1.218","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7237491","18.808","0.003","9.1786","0.0013","18.193","0.003","90","","90","","90","","3140.7","0.8","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C32 H31 B10 I -","- C32 H31 B10 I -","- C128 H124 B40 I4 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario","Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study","Journal of Materials Chemistry C","2018","6","42","11336","","10.1039/C8TC03741H","","","0.71073","MoKα","","0.0417","0.0291","","","0.069","0.0724","","","","","","1.044","","","","has coordinates","237709","2020-10-21","18:00:00",""
"7240966","22.642","0.003","9.7853","0.0012","6.8909","0.0008","90","","90","","90","","1526.7","0.3","296","2","296","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C13 H13 Ca N O5 S2 -","- C13 H13 Ca N O5 S2 -","- C52 H52 Ca4 N4 O20 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0412","0.0393","","","0.107","0.1092","","","","","","1.115","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7246440","14.008","0.0008","8.2826","0.0004","7.2443","0.0004","90","","90","","90","","840.5","0.08","317.5","0.1","317.5","0.1","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0298","0.0255","","","0.0588","0.0611","","","","","","1.1296","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246441","13.8982","0.0004","8.2537","0.0003","7.154","0.0002","90","","90","","90","","820.65","0.04","200","0.1","200","0.1","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0293","0.0236","","","0.0482","0.0505","","","","","","1.1012","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246442","13.8073","0.0007","8.2291","0.0007","7.0858","0.0004","90","","90","","90","","805.1","0.09","95","0.2","95","0.2","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0327","0.0259","","","0.0456","0.0475","","","","","","1.1889","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7248380","7.0218","0.0007","9.8353","0.0015","18.445","0.003","90","","90","","90","","1273.8","0.3","100","0.14","100","0.14","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Br7 Nb3 Rb S -","- Br7 Nb3 Rb S -","- Br28 Nb12 Rb4 S4 -","4","1","","Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen","Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S.","Physical chemistry chemical physics : PCCP","2024","26","15","11789","11797","10.1039/d4cp00293h","","x-ray","0.71073","MoKα","","0.0587","0.054","","","0.1228","0.126","","","","","","1.006","","","","has coordinates","291701","2024-05-05","04:12:52",""
"7706025","11.1177","0.0015","8.6687","0.0011","16.8075","0.0017","90","","90","","90","","1619.8","0.3","150","2","150","2","","","","","","","","8","P m c 21","P 2c -2","26","[Mn(Py5OH)Cl]PF6","","","- C27 H21 Cl F6 Mn N5 O2 P -","- C27 H21 Cl F6 Mn N5 O2 P -","- C54 H42 Cl2 F12 Mn2 N10 O4 P2 -","2","0.5","","Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A.; Huang, Ping; Shylin, Sergii I.; Salhi, Nessima; Hossain, Md Kamal; Gupta, Arvind K.; Messinger, Johannes; Thapper, Anders; Lundberg, Marcus","Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","660","674","10.1039/d0dt03695a","","","0.71073","MoKα","","0.0807","0.0612","","","0.1501","0.1649","","","","","","0.989","","","","has coordinates","261668","2021-02-04","23:13:57",""
"7707190","8.3711","0.0002","9.4395","0.0002","16.1734","0.0004","90","","90","","90","","1278.01","0.05","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H12 Br Hg I2 N -","- C4 H11.25 Br Hg I2 N -","- C16 H45 Br4 Hg4 I8 N4 -","4","1","","Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei","Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7563","7570","10.1039/d1dt01085a","","","0.71073","MoKα","","0.1229","0.0836","","","0.2083","0.2316","","","","","","1.103","","","","has coordinates,has disorder","267148","2021-07-05","17:30:27",""
"7707191","8.3889","0.0019","9.4194","0.0017","16.052","0.003","90","","90","","90","","1268.4","0.4","273.15","","273.15","","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H12 Cl0.45 Hg I2.55 N -","- C4 H12 Cl0.445 Hg I2.555 N0.75 -","- C16 H48 Cl1.78 Hg4 I10.22 N3 -","4","1","","Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei","Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7563","7570","10.1039/d1dt01085a","","","0.71073","MoKα","","0.1964","0.0932","","","0.2195","0.2576","","","","","","0.995","","","","has coordinates,has disorder","267148","2021-07-05","17:30:32",""
"7712089","10.4288","0.0002","27.1835","0.0004","11.229","0.0002","90","","90","","90","","3183.32","0.1","123.15","","123.15","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C35 H48 Cl O3 V -","- C35 H48 Cl O3 V -","- C140 H192 Cl4 O12 V4 -","4","1","","Nagata, Koichi; Hino, Ayako; Ube, Hitoshi; Sato, Hiroyasu; Shionoya, Mitsuhiko","Synthesis and molecular structural studies of racemic chiral-at-vanadium(V) complexes using an unsymmetric achiral phenolic bidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","11","3295","3299","10.1039/d2dt03436k","","x-ray","1.54184","CuKα","","0.0775","0.0712","","","0.2037","0.2112","","","","","","1.069","","","","has coordinates,has disorder","283329","2023-05-05","02:35:11",""
"7718162","37.9189","0.0008","17.8026","0.0004","7.3403","0.0002","90","","90","","90","","4955.1","0.2","269.99","0.1","269.99","0.1","","","","","","","","3","P m c 21","P 2c -2","26","","","","- I12 Nb4 O -","- I11.9987 Nb4 O -","- I95.99 Nb32 O8 -","8","2","","Beitlberger, Jan; Martin, Mario; Scheele, Marcus; Schmidt, Patrick; Ströbele, Markus; Meyer, H-Jürgen","The family of tetranuclear Nb<sub>4</sub>OI<sub>12-<i>x</i></sub> clusters (<i>x</i> = 0, 1, 2): from the molecular Nb<sub>4</sub>OI<sub>12</sub> cluster to extended chains and layers.","Dalton transactions (Cambridge, England : 2003)","2025","54","13","5486","5493","10.1039/d5dt00174a","","x-ray","0.71073","MoKα","","0.0568","0.0517","","","0.1413","0.1467","","","","","","1.085","","","","has coordinates,has disorder","300873","2025-07-06","16:24:36",""
"7719755","9.8198","0.0001","17.8539","0.0001","15.3672","0.0001","90","","90","","90","","2694.2","0.04","199.99","0.1","199.99","0.1","","","","","","","","3","P m c 21","P 2c -2","26","","","","- I11 O4 Ta5 -","- I11 O4 Ta5 -","- I44 O16 Ta20 -","4","1","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","0.71073","MoKα","","0.0218","0.0215","","","0.056","0.0561","","","","","","1.102","","","","has coordinates","303714","2025-11-29","19:58:36",""
"7719757","9.7963","0.0002","17.8082","0.0003","15.2052","0.0002","90","","90","","90","","2652.62","0.08","150.01","0.17","150.01","0.17","","","","","","","","3","P m c 21","P 2c -2","26","","","","- I11 Nb5 O4 -","- I11 Nb5 O4 -","- I44 Nb20 O16 -","4","1","","Grahlow, Fabian; Beitlberger, Jan; Martin, Mario; Juriatti, Eric; Peisert, Heiko; Scheele, Marcus; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","Structural modifications of <i>M</i><sub>5</sub>O<sub>4</sub>I<sub>11</sub> (<i>M</i> = Nb, Ta) cluster networks from heterogeneous solid-state reactions.","Dalton transactions (Cambridge, England : 2003)","2025","54","44","16593","16604","10.1039/d5dt02097b","","x-ray","1.54184","CuKα","","0.0515","0.0485","","","0.1254","0.127","","","","","","1.025","","","","has coordinates","303714","2025-11-29","19:58:36",""
"9000445","4.003","","11.2","","11.56","","90","","90","","90","","518.276","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Krupkaite","- Bi3 Cu Pb S6 -","- Bi3 Cu Pb S6 -","- Bi6 Cu2 Pb2 S12 -","2","0.5","","Mumme, W. G.","The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant Creek, Northern Territory, Australia","American Mineralogist","1975","60","","300","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9004554","4.0074","","44.81","","11.513","","90","","90","","90","","2067.41","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Bi13 Cu2.87 Pb3 S24 -","- Bi13 Cu2.87 Pb3 S24 -","- Bi26 Cu5.74 Pb6 S48 -","2","0.5","","Topa, D.; Balic-Zunic T; Makovicky, E.","The crystal structure of Cu1.6Pb1.6Bi6.4S12, a new 44.8 Angstrom derivative of the bismuthinite-aikinite solid-solution series","The Canadian Mineralogist","2000","38","","611","616","10.2113/gscanmin.38.3.611","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004676","4.0285","","44.986","","11.599","","90","","90","","90","","2102.04","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Emilite","- Bi11 Cu5.99 Pb5 S24 -","- Bi11 Cu5.99 Pb5 S24 -","- Bi22 Cu11.98 Pb10 S48 -","2","0.5","","Balic-Zunic T; Topa, D.; Makovicky, E.","The crystal structure of emilite, Cu10.7Pb10.7Bi21.3S48, the second 45 angstrom derivative of the bismuthinite-aikinite solid-solution series","The Canadian Mineralogist","2002","40","","239","245","10.2113/gscanmin.40.1.239","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004684","9.181","","4.8","","9.811","","90","","90","","90","","432.359","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Paranatisite","- Na4 O10 Si2 Ti3 -","- Na4 O10 Si2 Ti3 -","- Na8 O20 Si4 Ti6 -","2","0.5","","Sokolova, E. V.; Hawthorne, F. C.","Reconsideration of the crystal structure of paranatisite and the crystal chemistry of [M2T2_12] sheets","The Canadian Mineralogist","2002","40","","947","960","10.2113/gscanmin.40.3.947","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004689","4.0134","","11.208","","11.56","","90","","90","","90","","519.994","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Krupkaite","- Bi3 Cu0.98 Pb S6 -","- Bi3 Cu0.98 Pb S6 -","- Bi6 Cu1.96 Pb2 S12 -","2","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd47","The Canadian Mineralogist","2002","40","","1147","1159","10.2113/gscanmin.40.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004690","4.0145","","11.202","","11.56","","90","","90","","90","","519.858","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Krupkaite","- Bi3 Cu Pb S6 -","- Bi3 Cu Pb S6 -","- Bi6 Cu2 Pb2 S12 -","2","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd50","The Canadian Mineralogist","2002","40","","1147","1159","10.2113/gscanmin.40.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004691","4.0212","","11.232","","11.581","","90","","90","","90","","523.069","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Krupkaite","- Bi3 Cu1.12 Pb S6 -","- Bi3 Cu1.12 Pb S6 -","- Bi6 Cu2.24 Pb2 S12 -","2","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd59","The Canadian Mineralogist","2002","40","","1147","1159","10.2113/gscanmin.40.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004692","4.0212","","11.232","","11.581","","90","","90","","90","","523.069","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Krupkaite","- Bi2.82 Cu1.12 Pb1.18 S6 -","- Bi2.82 Cu1.12 Pb1.18 S6 -","- Bi5.64 Cu2.24 Pb2.36 S12 -","2","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd59, split Bi3 site","The Canadian Mineralogist","2002","40","","1147","1159","10.2113/gscanmin.40.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005511","5.8052","","6.9025","","15.141","","90","","90","","90","","606.706","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Damaraite","- Cl H O3 Pb3 -","- Cl H O3 Pb3 -","- Cl4 H4 O12 Pb12 -","4","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of lead oxide chlorides. I. Crystal structures of synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl","European Journal of Mineralogy","2001","13","","801","809","10.1127/0935-1221/2001/0013-0801","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9009413","5.813","","6.921","","15.192","","90","","90","","90","","611.201","","","","","","","","","","","","Kombat mine, Namibia","4","P m c 21","P 2c -2","26","","","Damaraite","- Cl H O3 Pb3 -","- Cl H O3 Pb3 -","- Cl4 H4 O12 Pb12 -","4","1","","Keller, P.; Lissner, F.; Schleid, T.","Damaraite, Pb3O2(OH)Cl: crystal structure and new chemical formula","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","326","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:26",""
"9011276","4.047","","6.592","","7.93","","90","","90","","90","","211.555","","","","120","","","","","","","","Gowganda, Ontario, Canada","3","P m c 21","P 2c -2","26","","","Stromeyerite","- Ag Cu S -","- Ag Cu S -","- Ag4 Cu4 S4 -","4","1","","Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S.","A low-temperature structural phase transformation in CuAgS Sample: T = 120 K Note: dimorphic with stromeyerite","Acta Crystallographica, Section B","1991","47","6","891","899","10.1107/S0108768191008340","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011277","4.0431","","6.591","","7.9149","","90","","90","","90","","210.917","","","","13","","","","","","","","Gowganda, Ontario, Canada","3","P m c 21","P 2c -2","26","","","Stromeyerite","- Ag Cu S -","- Ag Cu S -","- Ag4 Cu4 S4 -","4","1","","Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S.","A low-temperature structural phase transformation in CuAgS Sample: T = 13 K Note: dimorphic with stromeyerite","Acta Crystallographica, Section B","1991","47","6","891","899","10.1107/S0108768191008340","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012651","5.0634","","8.5898","","7.2781","","90","","90","","90","","316.551","","","","","","","","","","","","Lovchorrite Mine, Hackman Velley, Khibiny massif, Kola Peninsula, Russia","12","P m c 21","P 2c -2","26","","","Ancylite-(Ce)","- C2 H2.83 Ba0.01 Ca0.02 Ce0.52 F0.13 La0.28 Nd0.11 O7.73 Pr0.04 Sm0.01 Sr0.97 -","- C2 H2.63 Ba0.01 Ca0.02 Ce0.52 F0.13 La0.28 Nd0.11 O7.73 Pr0.04 Sm0.01 Sr0.97 -","- C4 H5.26 Ba0.02 Ca0.04 Ce1.04 F0.26 La0.56 Nd0.22 O15.46 Pr0.08 Sm0.02 Sr1.94 -","2","0.5","","Belovitskaya, Y. V.; Pekov, I. V.; Gobechiya, E. R.; Yamnova, N. A.; Kabalov, Y. K.; Chukanov, N. V.; Schneider, J.","Crystal structures of two ancylite modifications Locality: Lovchorrite Mine, Hackman Velley, Khibiny massif, Kola Peninsula, Russia Sample: Specimen 52","Crystallography Reports","2002","47","","223","228","10.1134/1.1466496","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012900","5.26","","6.4","","7.34","","90","","90","","90","","247.094","","","","","","","","","","","","deposits of the Bayan Obo, Baotou, China","7","P m c 21","P 2c -2","26","","","Carbocernaite","- C2 Ba0.11 Ca0.74 Ce0.4 Na0.26 O6 Sr0.44 -","- C2 Ba0.11 Ca0.74 Ce0.4 Na0.26 O6 Sr0.44 -","- C4 Ba0.22 Ca1.48 Ce0.8 Na0.52 O12 Sr0.88 -","2","0.5","","Nicheng, S.; Zhesheng, M.; Zhizhong, P.","The crystal structure of carbocernaite","Kexue Tongbao","1982","27","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""