Crystallography Open Database

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2002503 CIFBa2 Ca5 Dy18 O36 ZrP 6317.69469; 17.69469; 3.3658
90; 90; 120
912.7Mueller-Buschbaum, Hk; Vogt, R
Ein Beitrag zum Sr Ca2 Lu10 O18-Typ. Zur Elementverteilung in Ba2 Ca5 Dy18 Zr O36
Journal of the Less-Common Metals, 1990, 163, 347-351
2004218 CIF
Paper
K O12 Se2 V3P 637.121; 7.121; 11.4
90; 90; 120
500.6Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.
Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~
Acta Crystallographica Section C, 1995, 51, 2473-2476
2005178 CIF
Paper
C40 H38 Br2 N3 Nb OP 6313.671; 13.671; 11.4
90; 90; 120
1845.2Hoffman, D. M.; Rangarajan, S. P.
A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate
Acta Crystallographica Section C, 1996, 52, 1616-1618
2006645 CIF
Paper
Al14.4 Cr3.4 Ni1.1P 6317.674; 17.674; 12.516
90; 90; 120
3385.8Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W.
A New Hexagonal κ Phase of Al‒Cr‒Ni
Acta Crystallographica Section C, 1997, 53, 1531-1533
2008722 CIF
Paper
Fe Ge K O4P 6318.749; 18.749; 8.684
90; 90; 120
2643.7Robert Hammond; Jacques Barbier
Low-temperature KFeGeO~4~
Acta Crystallographica Section C, 1999, 55, IUC9900074
2008759 CIF
Paper
Cu Dy3 Ge Se7P 6310.2499; 10.2499; 6.0322
90; 90; 120
548.84Huang, Fu Qiang; Ibers, James A.
Dy~3~CuGeSe~7~
Acta Crystallographica Section C, 1999, 55, 1210-1212
2011286 CIF
HKL
Paper
C15 H12 Cl5 Fe2 N12 S3P 6310.3499; 10.3499; 14.6652
90; 90; 120
1360.48Schmalle, Helmut W.; Gyr, Ernst; Dubler, Erich
A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris(6-mercaptopurine)iron(II) tetrachloroferrate(III) chloride
Acta Crystallographica Section C, 2000, 56, 957-959
2011468 CIF
HKL
Paper
Cs O12 Se2 V3P 637.1613; 7.1613; 11.6184
90; 90; 120
516.01Harrison, William T. A.
Caesium vanadium selenite, Cs(VO~2~)~3~(SeO~3~)~2~
Acta Crystallographica Section C, 2000, 56, e422-e422
2011970 CIF
HKL
Paper
H4 N O4 P ZnP 6310.702; 10.702; 8.703
90; 90; 120
863.2Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F.
Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K
Acta Crystallographica Section C, 2001, 57, 508-509
2014099 CIF
HKL
Paper
Ce3 Fe1.94 S7P 6310.096; 10.096; 5.961
90; 90; 120
526.2Mills, Allison M.; Ruck, Michael
Cerium iron sulfide, Ce~3~Fe~1.94~S~7~
Acta Crystallographica Section C, 2004, 60, i71-i72
2014653 CIF
Paper
C9 H21 Br4 N3 O6 Zn2P 6311.337; 11.337; 9.91
90; 90; 120
1103.1Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard
Tris[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetrabromozincate
Acta Crystallographica Section C, 2005, 61, m76-m77
2015120 CIF
Paper
Ga I3 O9P 639.0924; 9.0924; 5.2862
90; 90; 120
378.47Chen, Xuean; Xue, Hai-Ping; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang
Gallium tris(iodate), Ga(IO~3~)~3~
Acta Crystallographica Section C, 2005, 61, i109-i110
2019502 CIF
Paper
Al K O4 SiP 635.19817; 5.19817; 8.5865
90; 90; 120
200.931Kremenović, Aleksandar; Vulić, Predrag
Disordered kalsilite KAlSiO~4~
Acta Crystallographica Section C, 2014, 70, 256-259
2019520 CIF
HKL
Paper
C8 H20 Cl4 Fe NP 6324.513; 24.513; 13.0356
90; 90; 120
6783.5Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.
Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)
Acta Crystallographica Section C, 2014, 70, 470-476
2021973 CIF
HKL
Paper
C8 H20 N Re S4P 6324.17; 24.17; 12.916
90; 90; 120
6534.5Bernhardt, Eduard; Herbst-Irmer, Regine
Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~]
Acta Crystallographica Section C, 2020, 76
2100834 CIF
Paper
C18 H48 Cr N9 O12P 6313.029; 13.029; 10.04
90; 90; 120
1476Morooka, M.; Ohba, S.; Miyamae, H.
Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K
Acta Crystallographica Section B, 1992, 48, 667-672
2100835 CIF
Paper
C18 H48 N9 O12 RhP 6313.101; 13.101; 9.984
90; 90; 120
1484Morooka, M.; Ohba, S.; Miyamae, H.
Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K
Acta Crystallographica Section B, 1992, 48, 667-672
2100906 CIF
Paper
Cr Li O4 RbP 635.463; 5.463; 9.147
90; 90; 120
236.41Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.
Structure and twinning of RbLiCrO~4~ crystals
Acta Crystallographica Section B, 1993, 49, 19-28
2100907 CIF
Paper
Cr Li O4 RbP 635.471; 5.471; 9.14
90; 90; 120
236.92Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.
Structure and twinning of RbLiCrO~4~ crystals
Acta Crystallographica Section B, 1993, 49, 19-28
2102090 CIF
Paper
K Li O4 SP 635.202; 5.202; 8.647
90; 90; 120
202.65Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio
Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K
Acta Crystallographica Section B, 2000, 56, 607-617
2102183 CIF
Paper
C27 H15 Br3 Cl3 N3 O3P 6315.25; 15.25; 6.8149
90; 90; 120
1372.6Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.
Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene
Acta Crystallographica Section B, 2000, 56, 1080-1084
2102184 CIF
Paper
C27 H15 Br3 Cl3 N3 O3P 6315.166; 15.166; 6.743
90; 90; 120
1343.2Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.
Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene
Acta Crystallographica Section B, 2000, 56, 1080-1084
2102551 CIF
Paper
N4 Si3P 637.6044; 7.6044; 2.9063
90; 90; 120
145.546du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.
Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~
Acta Crystallographica Section B, 2004, 60, 388-405
2102553 CIF
Paper
N4 Si3P 637.6015; 7.6015; 2.9061
90; 90; 120
145.425du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.
Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~
Acta Crystallographica Section B, 2004, 60, 388-405
2102555 CIF
Paper
N4 Si3P 637.602; 7.602; 2.906
90; 90; 120
145.439du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.
Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~
Acta Crystallographica Section B, 2004, 60, 388-405
2104303 CIF
HKL
Paper
Ag0.82 Ge La3 S7P 6310.4056; 10.4056; 5.828
90; 90; 120
546.49Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104304 CIF
HKL
Paper
Ag0.88 Ce3 Ge S7P 6310.3902; 10.3902; 5.8425
90; 90; 120
546.23Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104305 CIF
Paper
Ag0.89 Ge Pr3 S7P 6310.229; 10.229; 5.776
90; 90; 120
523.39Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104306 CIF
HKL
Paper
Ag0.84 Ge Nd3 S7P 6310.193; 10.193; 5.7693
90; 90; 120
519.11Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104307 CIF
HKL
Paper
Ag0.74 Ge S7 Sm3P 6310.0809; 10.0809; 5.7604
90; 90; 120
506.97Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104308 CIF
HKL
Paper
Ag0.63 Gd3 Ge S7P 639.9637; 9.9637; 5.766
90; 90; 120
495.73Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104309 CIF
HKL
Paper
Ag0.59 Ge S7 Tb3P 639.9003; 9.9003; 5.7654
90; 90; 120
489.39Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104310 CIF
HKL
Paper
Ag0.51 Dy3 Ge S7P 639.8003; 9.8003; 5.7879
90; 90; 120
481.43Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104311 CIF
HKL
Paper
Ag0.5 Ge Ho3 S7P 639.7401; 9.7401; 5.7994
90; 90; 120
476.48Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104312 CIF
HKL
Paper
Ag0.5 Er3 Ge S7P 639.6921; 9.6921; 5.8308
90; 90; 120
474.35Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2104313 CIF
HKL
Paper
Ag0.5 Ge S7 Y3P 639.809; 9.809; 5.8059
90; 90; 120
483.78Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S.
Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds
Acta Crystallographica Section B, 2009, 65, 126-133
2105551 CIF
Paper
Al0.97 Ge1.03 K0.19 Na0.78 O4P 6310.164; 10.164; 8.54
90; 90; 120
764Hammond, R. P.; Barbier, J.
Monoclinic and Hexagonal Nepheline Structures of (Na~3/4~/K~1/4~)AlGeO~4~
Acta Crystallographica Section B, 1998, 54, 211-220
2106488 CIFCu20 Sn6P 637.33; 7.33; 7.864
90; 90; 120
365.917Brandon, J.K.; Pearson, W.B.; Tozer, D.J.N.
A single-crystal X-ray diffraction of the zeta bronze structure, Cu20 Sn6
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 774-779
2106678 CIFF10 Na Sb3P 638.285; 8.285; 7.6
90; 90; 120
451.782Fourcade, R.; Mascherpa, G.; Philippot, E.
Structure cristalline et moleculaire de Na Sb3 F10
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2322-2326
2106883 CIFBi6.333 Br S9P 6315.545; 15.545; 4.019
90; 90; 120
841.066Mariolacos, K.
The crystal structure of Bi (Bi2 S3)9 Br3
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1947-1949
2106987 CIFBa Ge O4 ZnP 639.2905; 9.2905; 8.728
90; 90; 120
652.414Iijima, K.; Marumo, F.
The room-temperature structure of Ba Zn Ge O4
Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1112-1116
2200066 CIF
HKL
Paper
C24 H42 N3 S6 SbP 6313.8948; 13.8948; 9.4868
90; 90; 120
1586.19Baba, Ibrahim; Ibrahim, Sukeria; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng
Tris(<i>N</i>-cyclohexyl-<i>N</i>-methyldithiocarbamato-<i>S</i>)antimony(III)
Acta Crystallographica Section E, 2001, 57, m39-m40
2216155 CIF
HKL
Paper
Ce3 Ge Mg0.5 S7P 6310.2626; 10.2626; 5.7679
90; 90; 120
526.09Gulay, L. D.; Daszkiewicz, M.; Huch, M. R.; Pietraszko, A.
Ce~3~Mg~0.5~GeS~7~ from single-crystal data
Acta Crystallographica Section E, 2007, 63, i187-i187
2220383 CIF
HKL
Paper
B18 H20 Mn6 N2 Na10 O75 P12P 6311.9331; 11.9331; 12.129
90; 90; 120
1495.76Lin, Zhi-Sheng; Huang, Ya-Xi; Prots, Yurii; Zhao, Jing-Tai; Kniep, Rüdiger
Na~5~(NH~4~)Mn~3~[B~9~P~6~O~33~(OH)~3~]·1.5H~2~O
Acta Crystallographica Section E, 2008, 64, i82-i83
2234124 CIF
HKL
Paper
C88 H65.33 Cu2 I2 O0.67 P4P 6325.573; 25.573; 18.593
90; 90; 120
10530Volz, Daniel; Nieger, Martin; Bräse, Stefan
Di-μ-iodido-bis{[(<i>R</i>)-(+)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I)} 0.67-hydrate
Acta Crystallographica Section E, 2012, 68, m466-m467
2236973 CIF
HKL
Paper
C14 H23 N O2P 6319.5845; 19.5845; 6.6307
90; 90; 120
2202.5Wood, Mary H.; Clarke, Stuart M.
(<i>S</i>)-({-})-1-Phenylethanaminium hexanoate
Acta Crystallographica Section E, 2012, 68, o3335
2240185 CIF
HKL
Paper
Cl2 H6 O11 SnP 637.0701; 7.0701; 9.7631
90; 90; 120
422.64Hennings, Erik; Schmidt, Horst; Köhler, Martin; Voigt, Wolfgang
Crystal structure of tin(II) perchlorate trihydrate
Acta Crystallographica Section E, 2014, 70, 474-476
2244123 CIF
HKL
Paper
Ba3 H12 O17 Se2 SnP 639.255; 9.255; 11.4441
90; 90; 120
848.92Reuter, Hans; Kamaha, Shouassi
Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI)
Acta Crystallographica Section E, 2022, 78
2300689 CIF
HKL
Al63.643 Cr10 Cu18.381P 6310.9995; 10.9995; 12.698
90; 90; 120
1330.5Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa
Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase
Journal of Applied Crystallography, 2022, 55, 74-79
2310421 CIFI Li O3P 635.478; 5.478; 5.17
90; 90; 120
134.359de Boer, J.L.; van Bolhuis, F.; Olthof-Hazekamp, R.; Vos, A.
Reinvestigation of the crystal structure of lithium iodate
Acta Crystallographica (1,1948-23,1967), 1966, 21, 841-843
2310680 CIFH4 Mg2 O9 Si2P 635.31; 5.31; 14.04
90; 90; 120
342.836Steinfink, H.; Brunton, G.
The crystal structure of amesite
Acta Crystallographica (1,1948-23,1967), 1956, 9, 487-492
2310864 CIFH3 N Na O3 PP 635.773; 5.773; 6.031
90; 90; 120
174.07Hobbs, E.; Corbridge, D.E.C.; Raistrick, B.
The Crystal Structure of Monosodium Phosphoramidate, Na H P O3 N H2
Acta Crystallographica (1,1948-23,1967), 1953, 6, 621-626
4000031 CIFBa3 O3 S4 V2P 6310.1661; 10.1661; 5.9306
90; 90; 120
530.81Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong
Synthesis and Structural Analysis of Ba3V2O3S4
Chemistry of Materials, 2001, 13, 304-307
4001015 CIFO12 Rb Se2 V3P 637.1364; 7.1364; 11.4687
90; 90; 120
505.83Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv
New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12
Chemistry of Materials, 2009, 21, 1654
4001016 CIFO12 Se2 Tl V3P 637.1248; 7.1248; 11.4287
90; 90; 120
502.43Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv
New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12
Chemistry of Materials, 2009, 21, 1654
4001366 CIFC12 H27 S3 SbP 6310.343; 10.343; 9.756
90; 90; 120
903.85Castro, Jorge Rodriguez-; Dale, Phillip; Mahon, Mary F.; Molloy, Kieran C.; Peter, Laurie M.
Deposition of Antimony Sulfide Thin Films from Single-Source Antimony Thiolate Precursors
Chemistry of Materials, 2007, 19, 3219
4002417 CIFI9 Mo6 S0.063P 6316.41; 16.41; 11.9154
90; 90; 120
2778.79Paglia, G.; Bozin, E.S.; Vengust, D.; Mihailovic, D.; Billinge, S.J.L.
Accurate structure determination of Mo6 S(y) I(z) nanowires from atomic pair distribution function (PDF) analysis
Chemistry of Materials (1,1989-), 2006, 18, 100-106
4002671 CIFC24 H92 Ca Cu6 N6 O53P 6317.6943; 17.6943; 13.2921
90; 90; 120
3604.1Grancha, Thais; Ferrando-Soria, Jesús; Cano, Joan; Amorós, Pedro; Seoane, Beatriz; Gascon, Jorge; Bazaga-García, Montse; Losilla, Enrique R.; Cabeza, Aurelio; Armentano, Donatella; Pardo, Emilio
Insights into the Dynamics of Grotthuss Mechanism in a Proton-Conducting ChiralbioMOF
Chemistry of Materials, 2016, 28, 4608
4002832 CIFBi12.67 I2 S18P 6315.612; 15.612; 4.0168
90; 90; 120
847.9Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.
Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures
Chemistry of Materials, 2017
4002835 CIFAl4 Na3.49 O16 Si4P 639.9762; 9.9762; 8.34957
90; 90; 120
719.66Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu
Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission
Chemistry of Materials, 2017, 29, 6552-6559
4002979 CIFC3 H0 Br Cs0 Lu8 N0 O25 Zn0P 639.344; 9.344; 14.498
90; 90; 120
1096.2Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning
Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials
Chemistry of Materials, 2019, 31, 2130
4002980 CIFC3 H0 Br Cs0 N0 O25 Y8 Zn0P 639.4927; 9.4927; 14.752
90; 90; 120
1151.2Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning
Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials
Chemistry of Materials, 2019, 31, 2130
4002981 CIFC3 Cl Lu8 O25P 639.354; 9.354; 14.415
90; 90; 120
1092.3Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning
Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials
Chemistry of Materials, 2019, 31, 2130
4002982 CIFC3 H15 Cl O25 Y8P 639.5353; 9.5353; 14.729
90; 90; 120
1159.8Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning
Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials
Chemistry of Materials, 2019, 31, 2130
4003330 CIFB Ba Be2 F3 O3P 637.6279; 7.6279; 13.99
90; 90; 120
705Guo, Shu; Jiang, Xingxing; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian
BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞Layers and Short Phase-Matching Wavelength
Chemistry of Materials, 2016, 28, 8871
4003448 CIFC10 H18 Cd N4 S3P 639.3596; 9.3596; 10.7347
90; 90; 120
814.4He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei
One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution
Chemistry of Materials, 2019
4003452 CIFC81 H180 Br19 N9 Pb3 Zn2P 6314.9238; 14.9238; 30.6972
90; 90; 120
5920.9Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu
Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties
Chemistry of Materials, 2019
4003518 CIFF Lu3 O12 Se4P 639.883; 9.883; 7.066
90; 90; 120
597.7Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution
Chemistry of Materials, 2020
4021984 CIFC75 H69 N3P 6332.199; 32.199; 12.957
90; 90; 120
11634Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu
Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence
Journal of Organic Chemistry, 2006, 71, 7858-7861
4023603 CIFC27 H36 O9P 6323.975; 23.975; 9.5693
90; 90; 120
4763.5Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto
Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol
Journal of Organic Chemistry, 2008, 73, 6172-6181
4029281 CIFC69 H57 N15P 6319.986; 19.986; 8.8105
90; 90; 120
3047.8Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang
Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.
The Journal of organic chemistry, 2014, 79, 3559-3571
4031426 CIFAl H14 I5 O21P 6316.107; 16.107; 12.378
90; 90; 120
2781.06Cradwick, P.D.; de Endredy, A.S.
Crystal Structure of Aluminium Iodate-Hydrogen Iodate-Water (1/1/6) and Preparation of Anhydrous Aluminium Iodate
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1977, 1977, 146-149
4031433 CIFBr K3 O12 S3 Sn2P 6310.256; 10.256; 7.582
90; 90; 120
690.67Donaldson, J.D.; Grimes, S.M.
Novel tin(II) sites in X-ray crystal structures of the Tin(II) halide sulphates K3 Sn2 (S O4)3 X (X= Br or Cl)
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1984, 1984, 1301-1305
4031434 CIFCl K3 O12 S3 Sn2P 6310.183; 10.183; 7.54
90; 90; 120
677.101Donaldson, J.D.; Grimes, S.M.
Novel tin(II) sites in X-ray crystal structures of the tin(II) halide sulphates K3 Sn2 (S O4)3 X (X= Br or Cl)
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1984, 1984, 1301-1305
4031512 CIFK3.0001 O3 S3 Sn1.9999P 6310.23; 10.23; 7.56
90; 90; 120
685.178Howie, R.A.; Moser, W.; Starks, R.G.; Woodhams, F.W.D.; Parker, W.
Potassium Tin(II) Sulphate and Related Tin Apatites. Moessbauer and X-Ray Studies
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1973, 1973, 1478-1484
4031572 CIFBi8 Cl8 Ga2P 6317.76; 17.76; 12.979
90; 90; 120
3545.34Lindsjoe, M.; Fischer, A.; Kloo, L.
Improvements of and insights into the isolation of bismuth polycations from benzene solution - single-crystal structure determinations of Bi8 [Ga Cl4]2 and Bi5 [Ga Cl4]3
European Journal of Inorganic Chemistry, 2005, 2005, 670-675
4031801 CIFC12 Br Co3 O12 SnP 6310.2; 10.2; 11.81
90; 90; 120
1064.1Ball, R.D.; Hall, D.
The crystal structure of Bromotris(tetracarbonylcobalt) tin(IV)
Journal of Organometallic Chemistry, 1973, 52, 293-295
4034756 CIFC22 H11 N O6P 6315.7405; 15.7405; 11.9054
90; 90; 120
2554.53Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.
The Journal of organic chemistry, 2018, 83, 15426-15437
4035431 CIFC22 H36.67 O5.33P 6315.0636; 15.0636; 15.9737
90; 90; 120
3139.02Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.
Directed C-H Bond Oxidation of (+)-Pleuromutilin.
The Journal of organic chemistry, 2018, 83, 6843-6892
4062675 CIFC21 H15 N3 O9 Os3P 6318.545; 18.545; 12.621
90; 90; 120
3759.1Organometallics, 2004
4063335 CIFC180 H150 La2 O12 P6P 6331.7444; 31.7444; 25.393
90; 90; 120
22160Xianghua Yu; Tobin J. Marks
Organophosphine Oxide/Sulfide-Substituted Lanthanide Binaphtholate Catalysts for Enantioselective Hydroamination/Cyclization
Organometallics, 2007, 26, 365-376
4064029 CIFC78 H75 Cl Ge4P 6318.6792; 18.6792; 9.874
90; 90; 120
2983.6Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.
Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†
Organometallics, 2011, 30, 1046
4064030 CIFC72 H63 Br Ge4P 6318.6599; 18.6599; 10.0541
90; 90; 120
3031.7Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.
Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)†
Organometallics, 2011, 30, 1046
4065852 CIFC234 H270 K6 Mn6 O18P 6319.125; 19.125; 32.076
90; 90; 120
10160Crisp, Jeffrey A.; Meier, Ryan M.; Overby, Jason S.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.
Indenyl Complexes of Manganese(II). Conformational Flexibility of the Manganese(II)−(RnC9H7−n) Bond
Organometallics, 2010, 29, 2322
4066281 CIFC59 H92 N6 O3 ZrP 6324.5106; 24.5106; 18.9897
90; 90; 120
9880Leitch, David C.; Schafer, Laurel L.
Zirconium Alkyl Complexes Supported by Ureate Ligands: Synthesis, Characterization, and Precursors to Metal−Element Multiple Bonds†
Organometallics, 2010, 29, 5162
4067935 CIFC19 H45 Cl3 P3 Ru SiP 6311.7497; 11.7497; 10.9259
90; 90; 120
1306.3Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.
Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)
Organometallics, 2012, 31, 775
4077624 CIFC84 H84 Na3 O12 YbP 6315.1044; 15.1044; 18.419
90; 90; 120
3639.2Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander
Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!
Organometallics, 2000, 19, 5416
4077625 CIFC84 H84 La Na3 O13P 6315.2581; 15.2581; 18.207
90; 90; 120
3670.9Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander
Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!
Organometallics, 2000, 19, 5416
4078132 CIFC47 H69 Fe2 S3 Si3P 6324.6933; 24.6933; 13.8075
90; 90; 120
7291.3Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines
Organometallics, 2012, 31, 2953
4086113 CIFC31 H29 O YP 6311.6507; 11.6507; 10.0984
90; 90; 120
1187.1Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion
Organometallics, 2015, 34, 3909
4086235 CIFC31 H29 Dy OP 6311.6494; 11.6494; 10.0857
90; 90; 120
1185.34Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion
Organometallics, 2015, 34, 3909
4088770 CIFC55 H45 Ni O P3P 6318.4755; 18.4755; 9.9813
90; 90; 120
2950.6John, Alex; Miranda, Maria O.; Ding, Keying; Dereli, Büsra; Ortuño, Manuel A.; LaPointe, Anne M.; Coates, Geoffrey W.; Cramer, Christopher J.; Tolman, William B.
Nickel Catalysts for the Dehydrative Decarbonylation of Carboxylic Acids to Alkenes
Organometallics, 2016, 35, 2391
4100769 CIFC132 H234 O21 P12 Pt6P 6326.4164; 26.4164; 13.6104
90; 90; 120
8225.2Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang
Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly
Journal of the American Chemical Society, 2004, 126, 2464-2473
4100770 CIFC140 H218 Cl6 O12 P12 Pt6P 6326.2312; 26.2312; 14.5061
90; 90; 120
8644.1Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang
Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly
Journal of the American Chemical Society, 2004, 126, 2464-2473
4101633 CIFC36 H30 I9 N9 O6 Pb3P 6320.1518; 20.1518; 7.9277
90; 90; 120
2788.1Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin
Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.
Journal of the American Chemical Society, 2010, 132, 18-19
4101634 CIFC36 H30 Br3 I9 N6 Pb3P 6320.028; 20.028; 8.0181
90; 90; 120
2785.3Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin
Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.
Journal of the American Chemical Society, 2010, 132, 18-19
4101635 CIFC12 H10 Cl I3 N2 PbP 6320.025; 20.025; 7.975
90; 90; 120
2769.5Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin
Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.
Journal of the American Chemical Society, 2010, 132, 18-19
4101636 CIFC36 H30 F3 I9 N6 Pb3P 6319.9426; 19.9426; 7.8618
90; 90; 120
2707.8Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin
Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture.
Journal of the American Chemical Society, 2010, 132, 18-19
4102681 CIFC3 H7 N O6 ZnP 6312.5919; 12.5919; 8.2015
90; 90; 120
1126.18Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao
Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3]
Journal of the American Chemical Society, 2010, 132, 9588-9590
4104071 CIFC82 H53 Cl2 O9 PP 6320.6143; 20.6143; 17.9025
90; 90; 120
6588.42Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott
Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis
Journal of the American Chemical Society, 2009, 131, 4136-4142

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