Crystallography Open Database

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6000062 CIFBa2 Nd O6 RuP 1 21/n 15.9888; 5.9916; 8.4667
90; 90.026; 90
303.81Izumiyama, Y.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.; Oikawa, K.; Shimojo, Y.; Morii, Y.
Magnetic and neutron diffraction studies of the ordered perovskite Ba2NdRuO6
Journal of Materials Chemistry, 2000, 10, 2364-2367
6000095 CIFH3 Mo12 O40 PR 311.48; 11.48; 87.46
90; 90; 120
9982.15Marosi, L.; Platero, E. E.; Cifre, J.; Arean, C. O.
Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and of a novel trihydrate H3PW12O40 3H(2)O
Journal of Materials Chemistry, 2000, 10, 1949-1955
6000127 CIFAl12 Ce10 N36 O18 Si18 Sr3I -4 3 m13.382; 13.382; 13.382
90; 90; 90
2396.4Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang
High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N
Journal of Materials Chemistry, 2000, 10, 1357-1364
6000128 CIFAl12 N36 O18 Pr10 Si18 Sr3I -4 3 m13.3454; 13.3454; 13.3454
90; 90; 90
2376.81Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang
High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N
Journal of Materials Chemistry, 2000, 10, 1357-1364
6000129 CIFAl12 N36 Nd10 O18 Si18 Sr3I -4 3 m13.3285; 13.3285; 13.3285
90; 90; 90
2367.79Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang
High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N
Journal of Materials Chemistry, 2000, 10, 1357-1364
6000518 CIFC5 H19 F3 Ga3 N3 O12 P3P 21 21 218.8107; 10.2258; 20.9082
90; 90; 90
1883.75Paulet, C.; Loiseau, T.; Ferey, G.
Hydrothermal synthesis (in water-dimethylformamide) and crystal structure of MIL-30, a new layered fluorinated gallium phosphate with 1,3-diaminopropane and dimethylamine as templates
Journal of Materials Chemistry, 2000, 10, 1225-1229
6000730 CIFC7 H9 Al Br O5 PP 1 21/c 116.4972; 7.0673; 9.495
90; 113.477; 90
1015.39Chaplais, G.; Le, Bideau J; Leclercq, D.; Mutin, H.; Vioux, A.
Novel aluminium phenyl, benzyl, and bromobenzylphosphonates: structural characterisation and hydration-dehydration reactions
Journal of Materials Chemistry, 2000, 10, 1593-1601
6000731 CIFC4 H2 Cs O9 YP 1 2/n 18.979; 6.2299; 8.103
90; 90.05; 90
453.27Bataille, T.; Auffredic, J. P.; Louer, D.
Crystal structure and thermal behaviour of the new layered oxalate Y(H2O)Cs(C2O4)(2) studied by powder X-ray diffraction
Journal of Materials Chemistry, 2000, 10, 1707-1711
6000762 CIFFe2 H3 O12 V3P 21 21 2111.99; 9.496; 8.339
90; 90; 90
949.45Poizot, P.; Laruelle, S.; Touboul, M.; Louer, M.; Louer, D.
Synthesis and crystal structure of a new hydrated iron(III) vanadate Fe2(H2O)[V2O7 .VO3(OH)]
Journal of Materials Chemistry, 2000, 10, 1841-1845
6000763 CIFCa2 NR -3 m3.6287; 3.6287; 19.0921
90; 90; 120
217.72Gregory, D. H.; Bowman, A.; Baker, C. F.; Weston, D. P.
Dicalcium nitride, Ca2N - a 2D "excess electron" compound; synthetic routes and crystal chemistry
Journal of Materials Chemistry, 2000, 10, 1635-1641
7203860 CIFC4 H18 N4 O10 P2 Ti2P 1 21/c 19.2457; 7.3465; 9.929
90; 100.702; 90
662.7Zhao, Yongnan; Zhu, Guangshan; Jiao, Xiuling; Liu, Wang; Pang, Wenqin
Template synthesis and characterization of a new 2-D layered titanium phosphate
Journal of Materials Chemistry, 2000, 10, 463
7203861 CIFC3 H16 Ga3 N2 O15 P3P c a b10.043; 15.989; 18.308
90; 90; 90
2939.9Chantal Brouca-Cabarrecq; Alain Mosset
New potential open-framework materials in gallophosphate systems. Preparation and crystal structure of [NH3(CH2)3NH3]Ga3(PO4)3(OH)2·H2O and [NH2(CH2)3NH2]Ga3(PO4)3(H2O)
J. Mater. Chem., 2000, 10, 445-450
7203879 CIFC6 H18 I4 N2 PbP 1 21/c 111.856; 8.486; 9.043
90; 106.89; 90
870.6Mousdis, G. A.; Papavassiliou, G. C.; Raptopoulou, C. P.; Terzis, A.
Preparation and characterization of [H3N(CH2)6NH3]PbI4 and similar compounds with a layered perovskite structure
Journal of Materials Chemistry, 2000, 10, 515
7203880 CIFC6 H18 Br4 N2 PbP 1 21/c 112.02; 8.045; 8.342
90; 105.66; 90
776.7Mousdis, G. A.; Papavassiliou, G. C.; Raptopoulou, C. P.; Terzis, A.
Preparation and characterization of [H3N(CH2)6NH3]PbI4 and similar compounds with a layered perovskite structure
Journal of Materials Chemistry, 2000, 10, 515
7203893 CIFC86 H80 Mn N8P -115.46; 16.781; 15.429
115.28; 90.88; 90.88
3618Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Miller, Joel S.; Iwasaki, Kentaro; Umishita, Kazunori; Hino, Shojun; Sakata, Yoshiteru
Structure and magnetic properties of meso-tetrakis(2,4,6-trimethylphenyl)porphyrinatomanganese(iii) 7,7,8,8-tetracyano-2,5-dimethyl-p-quinodimethanide with a 2.3 K Tc. The first example of cis coordination of a tetracyano-p-quinodimethanide
Journal of Materials Chemistry, 2000, 10, 959
7203910 CIFC32 H27 As I N OP 21 21 2110.337; 15.297; 17.389
90; 90; 90
2749.6Allen, David W.; Mifflin, Joanne P.; Hursthouse, Michael B.; Coles, Simon; Hibbs, David E.; Malik, K. M. Abdul
A copper(i)-catalysed template synthesis of aryl-arsonium and -stibonium systems. Solvatochromic tetraaryl-arsonium and -stibonium iminophenolate betaines
Journal of Materials Chemistry, 2000, 10, 457
7203911 CIFC44 H76 N6 O10C 1 2/c 142.77; 12.461; 19.025
90; 107.861; 90
9650.8Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi
Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape
Journal of Materials Chemistry, 2000, 10, 911
7203912 CIFC60 H44 N4 O10 P2P -19.396; 10.436; 14.038
113.226; 96.24; 94.51
1246.3Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi
Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape
Journal of Materials Chemistry, 2000, 10, 911
7203913 CIFC52 H36 N4 O10 S32P -18.692; 12.936; 16.208
97.376; 96.234; 103.888
1736Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi
Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape
Journal of Materials Chemistry, 2000, 10, 911
7203915 CIFAl1.87 Ge2.8 H2 Na2 O11.2I -4 2 d13.314; 13.314; 6.8188
90; 90; 90
1208.7Tripathi, Akhilesh; Johnson, Geoffrey M.; Jin Kim, Sun; Parise, John B.
Na2Al2Ge3O10·2H2O: an aluminogermanate with the tetranatrolite topology
Journal of Materials Chemistry, 2000, 10, 451
7203925 CIFC16 H32 Pd2 S2C 2 2 2112.369; 13.674; 12.38
90; 90; 90
2093.9Singhal, A.; Jain, V. K.; Mishra, R.; Varghese, Babu
Organochalcogenido-bridged dimeric 2-methylallylpalladium complexes: synthesis, structure and their transformation into palladium chalcogenides
Journal of Materials Chemistry, 2000, 10, 1121
7203926 CIFC114 H88 N40 Se6P -18.148; 15.388; 22.658
96.086; 96.34; 95.26
2792.2Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano; Cornia, Andrea; Fabretti, Antonio C.; Girlando, Alberto
Reaction of N,N'-dimethylimidazolidine-2-selone (4) with TCNQ. Characterisation and X-ray crystal structure of the mixed-valence compound 4·(TCNQ)1.167
Journal of Materials Chemistry, 2000, 10, 1281
7203940 CIFC66 H44 Cl4 O8P -110.8001; 11.016; 12.4143
107.851; 100.953; 96.477
1356.9Baxter, Ian; Colquhoun, Howard M.; Hodge, Philip; Kohnke, Franz H.; Lewis, David F.; Williams, David J.
Macrocyclic oligomers of the aromatic polyetherketone “PK99”: synthesis, fractionation, structural characterisation and ring-opening polymerisation
Journal of Materials Chemistry, 2000, 10, 309
7203946 CIFC15 H12 Cl O4 S12P 1 21/n 111.953; 14.701; 13.917
90; 93.77; 90
2440.2Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.
First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF
Journal of Materials Chemistry, 2000, 10, 617
7203947 CIFC15 H12 B F4 S12P 1 21/n 111.91; 14.579; 13.771
90; 94.28; 90
2384Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.
First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF
Journal of Materials Chemistry, 2000, 10, 617
7203948 CIFC12 H4 Cu N2 S10P 1 21/n 15.417; 17.75; 20.71
90; 96.94; 90
1977Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.
First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF
Journal of Materials Chemistry, 2000, 10, 617
7203949 CIFC36 H18C 1 2/c 145.381; 5.1771; 18.266
90; 106.293; 90
4119.1Kübel, Christian; Eckhardt, Karin; Enkelmann, Volker; Wegner, Gerhard; Müllen, Klaus
Synthesis and crystal packing of large polycyclic aromatic hydrocarbons: hexabenzo[bc,ef,hi,kl,no,qr]coronene and dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene
Journal of Materials Chemistry, 2000, 10, 879
7203951 CIFC92 H52 Fe2 N20 PP 42/n :221.722; 21.722; 7.448
90; 90; 90
3514.3Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki; Otsuka, Takeo; Awaga, Kunio; Narymbetov, Bakhyt; Kobayashi, Hayao
A one-dimensional macrocyclic π‐ligand conductor carrying a magnetic center. Structure and electrical, optical and magnetic properties of TPP[Fe(Pc)(CN)2]2 {TPP = tetraphenylphosphonium and [Fe(Pc)(CN)2] = dicyano(phthalocyaninato)iron(iii)}
Journal of Materials Chemistry, 2000, 10, 631
7203952 CIFC2 H14 F Fe N2 Nb O11 P2P -15.0715; 7.5286; 9.1496
72.441; 85.679; 70.48
313.8Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.
Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2
Journal of Materials Chemistry, 2000, 10, 1203
7203953 CIFC2 H14 Co F N2 Nb O11 P2P -15.0469; 7.487; 9.1217
72.486; 85.679; 70.8
310.31Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.
Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2
Journal of Materials Chemistry, 2000, 10, 1203
7203954 CIFC2 H14.3 Cr0.1 F1.3 Fe0.9 N2 O10.7 P2 TiP -15.1584; 7.4556; 9.089
63.87; 80.6; 69.79
294.48Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.
Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2
Journal of Materials Chemistry, 2000, 10, 1203
7203958 CIFC42 H42 N4 O2P 21 21 2112.432; 12.893; 22.148
90; 90; 90
3550.01Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro
Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment
Journal of Materials Chemistry, 2000, 10, 1013
7203959 CIFC36 H40 N4 Ni O2P 1 21 113.66; 10.601; 12.34
90; 112.086; 90
1655.83Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro
Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment
Journal of Materials Chemistry, 2000, 10, 1013
7203960 CIFC88 H88 N8 Ni3 O9P 21 21 2112.9998; 16.1021; 36.377
90; 90; 90
7614.58Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro
Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment
Journal of Materials Chemistry, 2000, 10, 1013
7203961 CIFC54 H36 Cl4 N10 O12 Zn2C 1 2 117.776; 18.613; 10.124
90; 123.51; 90
2793Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel
A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)
Journal of Materials Chemistry, 2000, 10, 1419
7203962 CIFC32 H22 Cl2 N6 O6 ZnP -111.2655; 16.7247; 9.6229
94.18; 109; 106.026
1621Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel
A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)
Journal of Materials Chemistry, 2000, 10, 1419
7203963 CIFC12 H16 Cl2 N2 O11 ZnP -113.1589; 13.3044; 11.9989
94.1; 115; 91.107
1896Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel
A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)
Journal of Materials Chemistry, 2000, 10, 1419
7203964 CIFC3 H14 N2 O12 P3 Zn2P -17.4876; 8.2336; 12.8592
98.723; 101.258; 115.785
674.51Liu, Wang; Liu, Yunling; Shi, Zhan; Pang, Wenqin
Hydrothermal synthesis and characterization of a new layered zinc phosphate intercalated with fully-protonated triethylenetetramine [Zn2(HPO4)3]2−[(C6N4H22)0.5]2+
Journal of Materials Chemistry, 2000, 10, 1451
7203965 CIFC42 H34 Cl2 O8P 1 21/c 111.1071; 25.4188; 12.5938
90; 96.911; 90
3529.8Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.
Cyclic oligomers of poly(ether ketone) (PEK): synthesis, extraction from polymer, fractionation, and characterisation of the cyclic trimer, tetramer and pentamer
Journal of Materials Chemistry, 2000, 10, 2011
7203966 CIFC53.5 H35 Cl3 O8P -18.7603; 10.1072; 14.0404
75.262; 73.004; 80.202
1143.57Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.
Cyclic oligomers of poly(ether ketone) (PEK): synthesis, extraction from polymer, fractionation, and characterisation of the cyclic trimer, tetramer and pentamer
Journal of Materials Chemistry, 2000, 10, 2011
7203967 CIFC18 H18 S14P 1 21/n 18.374; 12.684; 26.295
90; 96.2; 90
2776.6John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.
New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies
Journal of Materials Chemistry, 2000, 10, 1273
7203968 CIFC18 H14 Cl O4 S12P 21 21 211.074; 24.139; 4.876
90; 90; 90
1303.4John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.
New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies
Journal of Materials Chemistry, 2000, 10, 1273
7203970 CIFC12 H10 N2 O3P 1 21/c 17.234; 8.999; 16.907
90; 92.42; 90
1099.6Zhao, Bo; Chen, Changyun; Zhou, Zhihua; Cao, Yang; Li, Ming
A comparative study on the nonlinear optical properties of diphenyl ether and diphenyl sulfide compounds
Journal of Materials Chemistry, 2000, 10, 1581
7203971 CIFC24 H30 N2 O5 SP 1 21/n 19.929; 19.549; 12.1
90; 96.11; 90
2335.3Ren, Yan; Fang, Qi; Yu, Wen-Tao; Lei, Hong; Tian, Yu-Peng; Jiang, Min-Hua; Yang, Qing-Chuan; Mak, Thomas C. W.
Synthesis, structures and two-photon pumped up-conversion lasing properties of two new organic salts
Journal of Materials Chemistry, 2000, 10, 2025
7203972 CIFC25 H30 N2 O4 SP -19.4237; 9.6976; 13.2841
86.655; 74.064; 85.891
1163.39Ren, Yan; Fang, Qi; Yu, Wen-Tao; Lei, Hong; Tian, Yu-Peng; Jiang, Min-Hua; Yang, Qing-Chuan; Mak, Thomas C. W.
Synthesis, structures and two-photon pumped up-conversion lasing properties of two new organic salts
Journal of Materials Chemistry, 2000, 10, 2025
7203973 CIFC21 H27 Cl3 In N3P -19.733; 20.826; 25.311
74.97; 83.31; 89.26
4920.5Green, Mark; Norager, Sebastian; Moriarty, Philip; Motevalli, Majid; O'Brien, Paul
On the synthesis and manipulation of InAs quantum dots
Journal of Materials Chemistry, 2000, 10, 1939
7203974 CIFC45.5 H59 Fe2 N Ni O0.5 S8P 1 21/a 119.503; 10.841; 24.137
90; 97.13; 90
5064Lee, Ha-Jin; Noh, Dong-Youn
Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes
Journal of Materials Chemistry, 2000, 10, 2167
7203975 CIFC67 H78 Fe4 N Ni O S8P n m a20.457; 39.22; 8.496
90; 90; 90
6817Lee, Ha-Jin; Noh, Dong-Youn
Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes
Journal of Materials Chemistry, 2000, 10, 2167
7203976 CIFC12 H6 F2 S4 Se4 Ta0.33P 16.438; 19.151; 3.93
92.69; 95.76; 93.7
480.4Fujiwara, Hideki; Misaki, Yohji; Yamabe, Tokio; Mori, Takehiko; Mori, Hatsumi; Tanaka, Shoji
Preparation, structures and physical properties of selenium analogues of DTEDT as promising donors for organic metals
Journal of Materials Chemistry, 2000, 10, 1565
7203977 CIFC0 H0 Bi3.03 Ca8.97 O41 V11P -19.41; 10.004; 18.881
79.891; 85.382; 89.057
1744.13Radosavljevic, Ivana; Howard, Judith A. K.; Sleight, Arthur W.; Evans, John S. O.
Synthesis and structure of Bi3Ca9V11O41
Journal of Materials Chemistry, 2000, 10, 2091

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