Crystallography Open Database

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2101194 CIF
Paper		C64 H32 N16 Nd19.544; 19.544; 6.514
90; 90; 90		2488.1Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I.
Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines
Acta Crystallographica Section B, 1994, 50, 582-588
2101195 CIF
Paper		C64 H32 N16 Pr20.066; 20.066; 6.463
90; 90; 90		2602.3Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I.
Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines
Acta Crystallographica Section B, 1994, 50, 582-588
2102241 CIF
Paper		C28 H32 N2 O56.614; 18.552; 10.377
90; 107.47; 90		1214.6Schönleber, Andreas; Chapuis, Gervais
Quininium (<i>R</i>)-mandelate, a structure with large <i>Z</i>' described as an incommensurately modulated structure in (3+1)-dimensional superspace
Acta Crystallographica Section B, 2004, 60, 108-120
2102484 CIF
HKL
Paper		Be F4 H8 N27.5284; 5.8848; 10.436
90; 90; 90		462.35Palatinus, Lukáš; Amami, Mongi; van Smaalen, Sander
Structure of incommensurate ammonium tetrafluoroberyllate studied by structure refinements and the maximum entropy method
Acta Crystallographica Section B, 2004, 60, 127-137
2102787 CIF
Paper		Ca3.333 Nb2.666 O11.333 Ti0.6677.6889; 5.3381; 5.4763
90; 90; 89.921		224.77Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank
Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6)
Acta Crystallographica Section B, 2007, 63, 183-189
2102788 CIF
Paper		Ca3.429 Nb2.606 O11.429 Ti0.8237.6805; 5.3641; 5.4653
90; 90; 90.036		225.165Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank
Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6)
Acta Crystallographica Section B, 2007, 63, 183-189
2103257 CIF
HKL
Paper		La1.14 Nb S3.143.3065; 5.7972; 22.9555
90; 90; 90		440.021Jobst, Andreas; van Smaalen, Sander
Intersubsystem chemical bonds in the misfit layer compounds (LaS)~1.13~TaS~2~ and (LaS)~1.14~NbS~2~
Acta Crystallographica Section B, 2002, 58, 179-190
2103258 CIF
HKL
Paper		La1.13 S3.13 Ta3.2923; 5.7776; 23.013
90; 90; 90		437.74Jobst, Andreas; van Smaalen, Sander
Intersubsystem chemical bonds in the misfit layer compounds (LaS)~1.13~TaS~2~ and (LaS)~1.14~NbS~2~
Acta Crystallographica Section B, 2002, 58, 179-190
2103479 CIF
HKL
Paper		Nb2 O7 Sr23.9544; 26.767; 5.6961
90; 90; 90		602.92Daniels, Peter; Tamazyan, Rafael; Kuntscher, Christine A.; Dressel, Martin; Lichtenberg, Frank; van Smaalen, Sander
The incommensurate modulation of the structure of Sr~2~Nb~2~O~7~
Acta Crystallographica Section B, 2002, 58, 970-976
2103654 CIF
Paper		C5 H15 Br0.77 Ca Cl1.23 N O411.04; 10.22; 10.55
90; 90; 90		1190Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.
Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 2001, 57, 296-302
2103657 CIF
Paper		C13.144 H40.074 N12 O68.226; 8.226; 11.019
90; 90; 120		645.7Peral, I.; Madariaga, G.; Petricek, V.; Breczewski, T.
Superspace description of the structure of the composite crystal urea/<i>n</i>-octane at room temperature
Acta Crystallographica Section B, 2001, 57, 378-385
2103665 CIF
Paper		C13.144 H36.502 N12 O9.57214.185; 14.185; 10.978
90; 90; 120		1913Peral, I.; Madariaga, G.; Petříček, V.; Breczewski, T.
Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism
Acta Crystallographica Section B, 2001, 57, 386-393
2103713 CIF
Paper		C3.2 B1.1 Sc23.387; 3.387; 6.703
90; 90; 120		66.59Onoda, Mitsuko; Shi, Ying; Leithe-Jasper, A.; Tanaka, Takaho
Structure refinement of the layered composite crystal Sc~2~B~1.1~C~3.2~ in a five-dimensional formalism
Acta Crystallographica Section B, 2001, 57, 449-457
2103857 CIF
Paper		In K3 O8 P215.6537; 9.7357; 11.1975
90; 90; 90.124		1706.49Arakcheeva, Alla; Chapuis, Gervais; Petříček, Vaclav; Dušek, Michal; Schönleber, Andreas
The incommensurate structure of K~3~In(PO~4~)~2~
Acta Crystallographica Section B, 2003, 59, 17-27
2103882 CIF
Paper		Ba2 Ge2 O8 Ti12.3014; 12.2837; 10.7367
90; 90; 90		1622.39Höche, Thomas; Esmaeilzadeh, Saeid; Uecker, Reinhard; Lidin, Sven; Neumann, Wolfgang
(3+1)-Dimensional structure refinement of the fresnoite framework-structure type compound Ba~2~TiGe~2~O~8~
Acta Crystallographica Section B, 2003, 59, 209-216
2103919 CIF
Paper		C Na2 O38.898; 5.237; 5.996
90; 101.87; 90		273.4Dusek, Michal; Chapuis, Gervais; Meyer, Mathias; Petricek, Vaclav
Sodium carbonate revisited
Acta Crystallographica Section B, 2003, 59, 337-352
2103920 CIF
Paper		C Na2 O38.9195; 5.2454; 6.05
90; 101.354; 90		277.518Dusek, Michal; Chapuis, Gervais; Meyer, Mathias; Petricek, Vaclav
Sodium carbonate revisited
Acta Crystallographica Section B, 2003, 59, 337-352
2103923 CIF
HKL
Paper		O8 V4 Y9.109; 10.687; 2.887
90; 90; 90		281.04Onoda, Mitsuko; Dhaussy, Anne-Claire; Kanke, Yasushi
Structural characterization of YV~4~O~8~: simultaneous analysis of coexisting polytypes and simulation of diffuse scattering for a stacking disorder model
Acta Crystallographica Section B, 2003, 59, 429-438
2104016 CIF
Paper		Co Zn7.89.03; 4.338; 12.511
90; 89.9; 90		490.1Lind, Hanna; Boström, Magnus; Petříček, Vaclav; Lidin, Sven
Structure of δ~1~-CoZn~7.8~, an example of a phason pinning‒unpinning transformation?
Acta Crystallographica Section B, 2003, 59, 720-729
2104629 CIF
Paper		?; ;
; ; 		King, Graham; Garcia-Martin, Susana; Woodward, Patrick M.
Octahedral tilt twinning and compositional modulation in NaLaMgWO~6~
Acta Crystallographica Section B, 2009, 65, 676-683
2108010 CIF
Paper		Al1.44 Ca0.49 Na0.51 O8 Si2.56?8.1661; 12.8545; 14.235
93.5777; 116.309; 89.593		1336.52Xu, Huifang; Jin, Shiyun; Noll, Bruce C.
Incommensurate density modulation in a Na-rich plagioclase feldspar: <i>Z</i>-contrast imaging and single-crystal X-ray diffraction study
Acta Crystallographica Section B, 2016, 72, 904-915
2100211 CIF
Paper		Ba0.0504 Bi0.2661 O1.8165 Ti0.6835?P?10.6914; 3.7963; 3.3457
90; 92.625; 90		135.652Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori
Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275)
Acta Crystallographica Section B, 2005, 61, 145-153
2100218 CIF
Paper		C4 H9 Cd N7 Ni O0?P?8.4867; 15.951; 7.604
90; 90.48; 90		1029.3Petříček, Václav; Dušek, Michal; Černák, Juraj
Modulated one-dimensional structure of [Cd(NH~3~)~3~Ni(CN)~4~]
Acta Crystallographica Section B, 2005, 61, 280-286
2100220 CIF
Paper		K5 Mo4 O16 Yb?P?10.4054; 6.1157; 19.7751
90; 136.625; 90		864.2Alla Arakcheeva; Gervais Chapuis; Vaclav Petricek; Vladimir Morozov
The role of second coordination-sphere interactions in incommensurately modulated structures, using β-K~5~Yb(MoO~4~)~4~ as an example
Acta Crystallographica Section B, 2005, 61, 400-406
2102944 CIF
Paper		Fe0.91 S(000 ???6.892; 11.952; 5.744
90; 90; 90		473.15Izaola, Zunbeltz; González, Santiago; Elcoro, Luis; Perez-Mato, J. M.; Madariaga, Gotzon; García, Alberto
Revision of pyrrhotite structures within a common superspace model
Acta Crystallographica Section B, 2007, 63, 693-702
2107012 CIFO4 Pb2 SiA -138.789; 7.567; 12.212
90; 96.78; 90		3559.35Kato, K.
Die OD-Struktur von Bleisilicat Pb2 Si O4 und Bleisilicat-Germanat-Mischkristall Pb2 (Si Ge) O4
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2539-2545
2107118 CIFCr2 Na2 O7A -17.82; 10.36; 9.54
89.5; 110.1; 113.4		658.758Panagiotopoulos, N.C.; Brown, I.D.
The crystal structure of alpha Na Cr2 O7 and the alpha-beta phase transition
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 890-894
2103503 CIFGa11 La6 O28 TaA 1 2 15.024; 7.98; 13.823
90; 90; 90		554.2Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103507 CIFGa11 La6 O28 TaA 1 2 15.021; 7.972; 13.808
90; 90; 90		552.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103512 CIFGa11 La6 O28 TaA 1 2 15.013; 7.944; 13.759
90; 90; 90		547.9Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103517 CIFGa11 La6 O28 TaA 1 2 14.999; 7.872; 13.635
90; 90; 90		536.6Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103520 CIFGa11 La6 Nb O28A 1 2 14.994; 7.783; 13.481
90; 90; 90		524Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103524 CIFGa11 La6 Nb O28A 1 2 14.985; 7.695; 13.328
90; 90; 90		511.3Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2103527 CIFGa11 La6 Nb O28A 1 2 14.97; 7.68; 13.302
90; 90; 90		507.7Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~
Acta Crystallographica Section B, 2002, 58, 939-947
2106771 CIFGa5.5 La3 O14 Ta0.5A 1 2 14.999; 7.872; 13.635
90; 90; 90		536.566Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5O14
Acta Crystallographica B (39,1983-), 2002, 58, 939-947
2106774 CIFGa5.5 La3 Nb0.5 O14A 1 2 15.0236; 7.956; 13.78
90; 90; 90		550.756Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5 O14
Acta Crystallographica B (39,1983-), 2002, 58, 939-947
2106775 CIFGa5.5 La3 Nb0.5 O14A 1 2 14.984; 7.664; 13.274
90; 90; 90		507.032Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.
Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5 O14
Acta Crystallographica B (39,1983-), 2002, 58, 939-947
2106901 CIFO4 Pb2 SiA 1 2 119.43; 7.64; 12.24
90; 99.33; 90		1792.93Dent Glasser, L.S.; Howie, R.A.; Smart, R.M.
The Structure of Lead 'Orthosilicate', (Pb O)2 Si O2
Acta Crystallographica B (24,1968-38,1982), 1981, 37, 303-306
2107238 CIFC2 H30 Cl4 Co3 N12 Na O24A 1 2 114.114; 7.864; 14.843
90; 112.3; 90		1524.25Weiss, J.; Siebert, H.; Wieghardt, K.
Die Kristall- und Molekuelstruktur von (Co3 (N H3)8 (O H)2 (N O2)2 (C N)2) (Cl O4)3 (Na Cl O4) (H2 O)2
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1709-1712
9013161 CIFFe4 H4 K2 Mg2 Na2 O30 Si8 Ti2A 1 2 110.37; 23.129; 5.322
90; 99.55; 90		1258.78Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y.
Structure Refinement of Monoclinic Astrophyllite
Acta Crystallographica Section B, 1998, 54, 109-114
1001691 CIFBi1.916 Cu O5.482 Sr1.84A 1 2/a 15.3791; 5.3811; 24.58899
90; 89.93; 90		711.7Leligny, H; Durcok, S; Labbe, P; Ledesert, M; Raveau, B
X-ray investigation of the incommensurate modulated structure of Bi2.08 Sr1.84 Cu O6-d
Acta Crystallographica B (39,1983-), 1992, 48, 407-418
2002891 CIF
Paper		Al4.5 Fe SiA 1 2/a 16.1676; 6.1661; 20.8093
90; 91; 90		791.26Hansen, Vidar; Hauback, Bjørn; Sundberg, M.; Rømming, Chr.; Gjønnes, Jon
β-Al~4.5~FeSi: A Combined Synchrotron Powder Diffraction, Electron Diffraction, High-Resolution Electron Microscopy and Single-Crystal X-ray Diffraction Study of a Faulted Structure
Acta Crystallographica Section B, 1998, 54, 351-357
2100794 CIF
Paper		Bi2.08 Cu O6 Sr1.84A 1 2/a 15.3791; 5.3811; 24.589
90; 89.93; 90		711.74Leligny, H.; Durcok, S.; Labbe, P.; Ledesert, M.; Raveau, B.
X-ray investigation of the incommensurate modulated structure of Bi~2.08~Sr~1.84~CuO~6{-~δ}
Acta Crystallographica Section B, 1992, 48, 407-418
2101059 CIF
Paper		C7 H5 N O4A 1 2/a 112.857; 5.0272; 20.997
90; 97.072; 90		1346.81Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.
Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives
Acta Crystallographica Section B, 1993, 49, 1031-1039
2101145 CIF
Paper		Al4 Fe SiA 1 2/a 16.161; 6.175; 20.813
90; 90.42; 90		791.8Rømming, C.; Hansen, V.; Gjønnes, J.
Crystal structure of β-Al~4.5~FeSi
Acta Crystallographica Section B, 1994, 50, 307-312
2101622 CIF
Paper		Nb2.11 O14 Sb3.89 TiA 1 2/a 15.519; 4.865; 40.256
90; 91.02; 90		1080.7Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M.
Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~
Acta Crystallographica Section B, 1996, 52, 932-938
2101623 CIF
Paper		O14 Sb4.26 Ta1.74 TiA 1 2/a 15.492; 4.837; 40.165
90; 91.08; 90		1066.79Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M.
Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~
Acta Crystallographica Section B, 1996, 52, 932-938
2107628 CIF
HKL
Paper		Bi2.27 Cu O6.18 Sr1.73A 1 2/a 15.3869; 5.3874; 24.579
90; 90.01; 90		713.32Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V.
New insight on bismuth cuprates with incommensurate modulated structures
Acta Crystallographica Section B, 2016, 72, 395-403
9011224 CIFC2 H10 Mg0.773 Mn3.684 O16 Zn2.543A 1 2/a 116.408; 5.54; 15.15
90; 95.48; 90		1370.85Hill, R. J.
The structure of loseyite Note: AnisoU's from ICSD
Acta Crystallographica, Section B, 1981, 37, 1323-1328
2102073 CIF
Paper		Bi24 Br10 O31A 1 2/m 110.141; 4.005; 29.977
90; 90.197; 90		1217.5Eggenweiler, U.; Keller, E.; Krämer, V.
Redetermination of the crystal structures of the `Arppe compound' Bi~24~O~31~Cl~10~ and the isomorphous Bi~24~O~31~Br~10~
Acta Crystallographica Section B, 2000, 56, 431-437
9007509 CIFAl2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79A 1 2/m 18.83; 5.9; 19.17
90; 97.12; 90		990.998Galli, E.; Alberti, A.
On the crystal structure of pumpellyite
Acta Crystallographica, Section B, 1969, 25, 2276-2281
2106069 CIFC3 H3 N3 O3A 1 2/n 17.749; 6.736; 11.912
90; 130.69; 90		471.459Verschoor, G.C.; Keulen, E.
Electron density distribution in cyanuric acid. I. An x-ray diffraction study at low temperature
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 134-145
2106409 CIFCs6 O36 W11A 1 a 137.8; 7.261; 12.577
90; 102.81; 90		3366.04Okada, K.; Marumo, F.; Iwai, S.I.
The crystal structure of Cs6 W11 O36
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 50-54
2003115 CIF
Paper		C3 H12 N O4 PA 1 n 16.2475; 29.3825; 4.6305
90; 100.904; 90		834.66Antonia Neels; Helen Stoeckli-Evans; Jochen Neels; Abraham Clearfield; Damodara Poojary
<i>Ab Initio</i> Structure Determination of Ammonium Hydrogen Alkyl Phosphates from X-ray Powder Diffraction Data
Acta Crystallographica Section B, 1998, 54, 478-484
9011086 CIFCl Hg1.5 SA 2 m m4.664; 16.82; 9.081
90; 90; 90		712.391Durovic, S.
The crystal structure of gamma-Hg3S2Cl2 Sample: one-layer structure used for interatomic functions
Acta Crystallographica, Section B, 1968, 24, 1661-1670
2100788 CIF
Paper		Bi2 O9 Sr Ta2A 21 a m5.5306; 5.5344; 24.984
90; 90; 90		764.72Rae, A. D.; Thompson, J. G.; Withers, R. L.
Structure refinement of commensurately modulated bismuth strontium tantalate, Bi~2~SrTa~2~O~9~
Acta Crystallographica Section B, 1992, 48, 418-428
2101514 CIF
Paper		Bi2 Nb2 O9 PbA 21 a m5.503; 5.495; 25.531
90; 90; 90		772Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A.
Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~
Acta Crystallographica Section B, 1996, 52, 432-439
2101515 CIF
Paper		Bi2 Nb2 O9 PbA 21 a m5.504; 5.487; 25.511
90; 90; 90		770.4Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A.
Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~
Acta Crystallographica Section B, 1996, 52, 432-439
2107321 CIFBi3 Nb O9 TiA 21 a m5.4398; 5.3941; 25.099
90; 90; 90		736.476Thompson, J.G.; Rae, A.D.; Withers, R.L.; Craig, D.C.
Revised structure of Bi3TiNbO9
Acta Crystallographica B (39,1983-), 1991, 47, 174-180
2100267 CIF
Paper		C4 H8 OA b a 29.3789; 13.658; 13.661
90; 90; 90		1749.9Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2100268 CIF
Paper		C4 H8 OA b a 29.3312; 13.642; 13.619
90; 90; 90		1733.6Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2102342 CIF
Paper		C19 H18 O3A b a 27.4127; 34.03; 6.1829
90; 90; 90		1559.66Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2103973 CIF
Paper		C H3 Na2 O6A b a 29.183; 15.745; 6.73
90; 90; 90		973.07Pritchard, Robin Gavin; Islam, Emran
Sodium percarbonate between 293 and 100K
Acta Crystallographica Section B, 2003, 59, 596-605
1007072 CIFNi3 O8 V2A c a m8.24; 11.38; 5.906
90; 90; 90		553.8Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A
Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2036-2046
1007073 CIFNi3 O8 V2A c a m8.24; 11.38; 5.906
90; 90; 90		553.8Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A
Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2036-2046
1007074 CIFCo3 O8 V2A c a m8.3; 11.5; 6.03
90; 90; 90		575.6Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A
Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2036-2046
1007075 CIFCo3 O8 V2A c a m8.3; 11.5; 6.03
90; 90; 90		575.6Fuess, H; Bertaut, E F; Pauthenet, R; Durif, A
Structure aux Rayons X, Neutrons et Proprietes Magnetiques des Orthovanadates de Nickel et de Cobalt
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 2036-2046
2100843 CIF
Paper		C2 D2A c a m6.198; 6.023; 5.578
90; 90; 90		208.2McMullan, R. K.; Kvick, Å.; Popelier, P.
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Acta Crystallographica Section B, 1992, 48, 726-731
2103972 CIF
Paper		C H3 Na2 O6A c a m9.224; 15.805; 6.747
90; 90; 90		983.6Pritchard, Robin Gavin; Islam, Emran
Sodium percarbonate between 293 and 100K
Acta Crystallographica Section B, 2003, 59, 596-605
2106226 CIFC H3 Na2 O6A e a 29.224; 15.805; 6.747
90; 90; 90		983.614Adams, J.M.; Pritchard, R.G.
The crystal structure of sodium percarbonate: An unusual layered solid
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3650-3653
2101146 CIF
Paper		C6 H20 Cl4 Mn N2A e m a7.414; 7.289; 26.803
90; 90; 90		1448.5Meyer, M.; Paciorek, W. A.; Schenk, K. J.; Chapuis, G.; Depmeier, W.
Incommensurately modulated structure of γ-PAMC: new experimental evidence for amplitude and phase fluctuations
Acta Crystallographica Section B, 1994, 50, 333-343
2101306 CIF
Paper		Al2 O4 PbA m a 28.458; 9.234; 5.07
90; 90; 90		395.973Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101307 CIF
Paper		Ga2 O4 PbA m a 28.575; 9.424; 5.22
90; 90; 90		421.832Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2101311 CIF
Paper		C6 H16 Co N5 O7A m a 212.717; 12.206; 7.717
90; 90; 90		1197.86Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2102431 CIF
Paper		C7 H6 N4A m a 29.807; 15.232; 4.54
90; 90; 90		678.186Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2104488 CIF
Paper		C26 H26 Ga N O2 P2A m a 217.743; 14.8424; 9.6445
90; 90; 90		2539.9Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2108891 CIFC6 H12 N3 O3A m a 212.1054; 13.5537; 5.20741
90; 90; 90		854.4Gallo, Gianpiero; Terban, Maxwell W.; Moudrakovski, Igor; Huber, Tatjana; Etter, Martin; Ernst, Martin; Hinrichsen, Bernd; Dinnebier, Robert E.
A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function
Acta Crystallographica Section B, 2021, 77, 986-995
1001208 CIFK Nb3 O8A m a m8.903; 21.16; 3.799
90; 90; 90		715.7Gasperin, M
Structure du Triniobate(V) de Potassium K Nb~3~ O~8~, un Niobate Lamellaire
Acta Crystallographica B (24,1968-38,1982), 1982, 38, 2024-2026
2003116 CIF
Paper		C19 Er10 Ru10A m m 23.6097; 18.632; 7.289
90; 90; 90		490.23Hoffmann, R.-D.; Jeitschko, W.
The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~
Acta Crystallographica Section B, 1998, 54, 834-850
2003117 CIF
Paper		C19 Er10 Ru10A m m 23.6097; 18.632; 7.289
90; 90; 90		490.23Hoffmann, R.-D.; Jeitschko, W.
The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~
Acta Crystallographica Section B, 1998, 54, 834-850
2003119 CIF
Paper		C19 Er10 Ru10A m m 237.264; 7.219; 14.578
90; 90; 90		3921.6Hoffmann, R.-D.; Jeitschko, W.
The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~
Acta Crystallographica Section B, 1998, 54, 834-850
2106981 CIFO8 U3A m m 24.136; 11.816; 6.822
90; 90; 90		333.398Herak, R.
The Crystal Structure of the High Temperature Modification of U3 O8
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2505-2508
2105046 CIF
HKL
Paper		Ca4 Fe2 Mn0.5 O9 Ti0.5A m m a5.351; 26.669; 5.4914
90; 90; 90		783.65Krüger, H.; Stöber, S.; Welberry, T. R.; Withers, R. L.; Fitz Gerald, J. D.
Stacking faults and superstructures in a layered brownmillerite
Acta Crystallographica Section B, 2011, 67, 476-485
9017312 CIFCa O4 SA m m a7.006; 6.998; 6.245
90; 90; 90		306.18Kirfel, A.; Will, G.
Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction measurements
Acta Crystallographica, Section B, 1980, 36, 2881-2890
2103700 CIF
HKL
Paper		C28 H32 SiB -18.012; 16.171; 18.28
80.78; 83.45; 84.07		2313.8Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2100899 CIF
Paper		H O4 Rb SeB 119.852; 4.622; 7.575
90.64; 90.04; 102.75		677.9Makarova, I. P.
Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals
Acta Crystallographica Section B, 1993, 49, 11-18
2100897 CIF
Paper		H O4 Rb SeB 1 1 219.962; 4.634; 7.611
90; 90; 102.76		686.7Makarova, I. P.
Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals
Acta Crystallographica Section B, 1993, 49, 11-18
2100900 CIF
Paper		H5 N O4 SeB 1 1 219.863; 4.62; 7.593
90; 90; 102.59		680Makarova, I. P.
Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals
Acta Crystallographica Section B, 1993, 49, 11-18
2100901 CIF
Paper		H5 N O4 SeB 1 1 219.754; 4.607; 7.55
90; 90; 102.59		670.6Makarova, I. P.
Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals
Acta Crystallographica Section B, 1993, 49, 11-18
2106841 CIFF3 H4 N SnB 1 1 211.66; 6.507; 6.859
90; 90; 125		426.29Bergerhoff, G.; Goost, L.
Ammoniumfluorostannat(II)
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 632-633
2105372 CIFAg4 P2 S7B 1 1 2/b10.778; 16.211; 6.534
90; 90; 106.8		1092.91Khodadad, P.; Rodier, N.; Toffoli, P.
Structure cristalline du pyrothiophosphate d'argent, Ag4 P2 S7
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1492-1494
2105378 CIFAg7.15 P3 S11B 1 1 2/b23.97; 24.88; 6.361
90; 90; 110.85		3545.11Khodadad, P.; Rodier, N.; Toffoli, P.
Structure du tetrathiomonophosphate(V) heptathiodiphosphate(V) d'argent
Acta Crystallographica B (24,1968-38,1982), 1982, 38, 2374-2378
2107146 CIFBr6 Nd4 S3B 1 1 2/b29.346; 7.156; 6.837
90; 90; 94.65		1431.04Rysanek, N.; Mazurier, A.; Laruelle, P.; Dagron, C.
Structure du Bromure Sulfure de Neodyme Nd4 Br6 S3
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2930-2932
2106259 CIFP6 S18 Zn4B 1 1 2/m21.41; 6.552; 10.68
90; 90; 122.28		1266.63Bouchetiere, M.; Toffoli, P.; Khodadad, P.; Rodier, N.
Structure cristalline de Zn4 (P2 S6)3
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 384-387
2106301 CIFCe Cr O S2B 1 1 2/m11.518; 7.951; 3.703
90; 90; 90.07		339.119Dugue, J.; Villers, J.; Vovan, T.
Etude Structurale des Oxysulfures de Chrome(III) et de Terres Rares. II. Structure de l'Oxysulfure Ce Cr O S2
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 1294-1297
2106325 CIFCr0.3333 I2 Mn0.6666B 1 1 2/m7.441; 7.448; 3.978
90; 90; 113.66		201.932Guen, L.; Nguyen, H.D.
Manganese(II) chrome(II) diiodure: phase beta des (Mn, Cr) I2
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 311-312
2106853 CIFEr9 La10 S27B 1 1 2/m29.71; 21.83; 3.941
90; 90; 122		2167.62Carre, D.; Laruelle, P.
Structure cristalline du sulfure d'erbium et de lanthanum, Er9 La10 S27
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 70-73
2106737 CIFC11 H44 Ce N18 O19B 1 1 b16.05; 16.63; 13.14
90; 90; 108.1		3333.67Voliotis, S.; Rimsky, A.; Faucherre, J.
Etude structurale des carbonates complexes de cerium et de thorium. I. Structure cristalline et moleculaire du pentacarbonatocerate de guanidine tetrahydrate, (C (N H2)3)6 Ce (C O3)5 (H2 O)4
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2607-2611
2106738 CIFC11 H44 N18 O19 ThB 1 1 b16.15; 16.7; 13.23
90; 90; 108.41		3385.58Voliotis, S.; Rimsky, A.
Etude structurale des carbonates complexes de cerium et de thorium II. Structure cristalline et moleculaire du pentacarbonatothorate de guanidine tetrahydrate, (C (N H2)3)6 Th (C O3)5 (H2 O)4
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2612-2615
2104235 CIF
HKL
Paper		C10 H34 N2 Ni O18B 1 21 116.176; 16.514; 17.876
90; 106.42; 90		4580.5Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104241 CIF
HKL
Paper		C10 H24 Fe N2 O13B 1 21 114.507; 14.226; 68.39
90; 96.23; 90		14031Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104242 CIF
HKL
Paper		C10 H24 Mg N2 O13B 1 21 114.597; 14.135; 70.201
90; 96.95; 90		14378Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104243 CIF
HKL
Paper		C10 H24 N2 O13 ZnB 1 21 114.737; 14.05; 69.935
90; 96.99; 90		14373Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104912 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.182; 16.518; 17.876
90; 106.42; 90		4583.3Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104913 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.188; 16.526; 17.876
90; 106.41; 90		4587.4Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104914 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.194; 16.533; 17.878
90; 106.4; 90		4591.8Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104915 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.2; 16.54; 17.88
90; 106.39; 90		4596.2Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104916 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.208; 16.55; 17.882
90; 106.38; 90		4602Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104917 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.214; 16.56; 17.882
90; 106.36; 90		4607Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104918 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.222; 16.571; 17.882
90; 106.34; 90		4612.8Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104919 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.23; 16.584; 17.88
90; 106.32; 90		4618.6Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104920 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.238; 16.598; 17.878
90; 106.28; 90		4625.2Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104921 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.242; 16.608; 17.874
90; 106.26; 90		4628.6Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104922 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.246; 16.618; 17.87
90; 106.24; 90		4632Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104923 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.25; 16.631; 17.866
90; 106.2; 90		4636.6Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104924 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.254; 16.644; 17.86
90; 106.17; 90		4640.6Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104936 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.2526; 16.6254; 17.8851
90; 106.233; 90		4640Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104937 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.2401; 16.6007; 17.8912
90; 106.295; 90		4629.66Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104938 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.2238; 16.5763; 17.8917
90; 106.344; 90		4617.18Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104939 CIF
Paper		C10 H34 N2 Ni O18B 1 21 116.1879; 16.5322; 17.8839
90; 106.413; 90		4591.08Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt
Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory
Acta Crystallographica Section B, 2011, 67, 130-143
2104996 CIF
HKL
Paper		C10 H36 N2 Ni O19B 1 21 131.013; 12.56; 56.246
90; 129.19; 90		16981Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2104997 CIF
HKL
Paper		C10 H36 N2 Ni O19B 1 21 130.632; 12.594; 55.955
90; 129.46; 90		16666Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105172 CIF
HKL
Paper		C14 H30 N4 Ni O13B 1 21 127.4626; 12.1845; 40.2287
90; 122.026; 90		11412.5Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt
[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase
Acta Crystallographica Section B, 2012, 68, 389-400
2108645 CIF
HKL
Paper		C21 H16 N2 O4B 1 21 115.5993; 49.062; 15.6099
90; 119.896; 90		10357Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean
Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione
Acta Crystallographica Section B, 2020, 76
2106299 CIFLa4 O4 Se3B 2 m m13.232; 8.59; 4.101
90; 90; 90		466.131Dugue, J.; Adolphe, C.; Khodadad, P.
Structure cristalline de l'oxyseleniure de lanthane La4 O4 Se3
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1627-1628
1001009 CIFNb2 O6 PbB b 21 m35.292; 17.943; 7.746
90; 90; 90		4905.1Labbe, P; Frey, M; Raveau, B; Monier, J C
Structure cristalline de la phase ferroelectrique du niobate de plomb Pb Nb~2~ O~6~ . Deplacements des atomes metalliques et interpretation de la surstructure
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2201-2212
2102070 CIF
Paper		K3 Nd O15 Si6B b 21 m14.37; 15.518; 14.265
90; 90; 90		3181Haile, S. M.; Wuensch, B. J.
Structure, phase transitions and ionic conductivity of K~3~NdSi~6~O~15~·<i>x</i>H~2~O. II. Structure of β-K~3~NdSi~6~O~15~
Acta Crystallographica Section B, 2000, 56, 349-362
2108043 CIFAl4.8 O9.6 Si1.2B b 21 m75.817; 7.6752; 5.7686
90; 90; 90		3356.8Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon
Ordered vacancy distribution in 2/1 mullite: a superspace model
Acta Crystallographica Section B, 2017, 73
1000060 CIFAl2 O5 TiB b m m9.429; 9.636; 3.591
90; 90; 90		326.3Morosin, B; Lynch, R W
Structure studies on Al~2~ Ti O~5~ at room temperature and at 600C
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1040-1046
2106068 CIFK O3 PB b m m12.94; 4.54; 5.92
90; 90; 90		347.786Jost, K.H.; Schulze, H.J.
Mechanismen der Phasentransformation des K (P O3) und die Struktur der Hoechsttemperatur Modifikation des K (P O3)
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1345-1353
2107079 CIFAl2 O5 TiB b m m9.481; 9.738; 3.583
90; 90; 90		330.804Morosin, B.; Lynch, R.W.
Structure studies on Al2 Ti O5 at room temperature and at 600C
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1040-1046
9011262 CIFMg0.999 O5 Ti2.001B b m m9.7289; 10.0057; 3.7416
90; 90; 90		364.224Wechsler, B. A.; Von Dreele, R. B.
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 973 K
Acta Crystallographica, Section B, 1989, 45, 542-549
9011263 CIFMg O5 Ti2B b m m9.7492; 9.9896; 3.746
90; 90; 90		364.825Wechsler, B. A.; Von Dreele, R. B.
Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 1773
Acta Crystallographica, Section B, 1989, 45, 542-549
9015122 CIFBi2 Pb3 S6B b m m13.535; 20.451; 4.104
90; 90; 90		1136.01Takagi, J.; Takeuchi, Y.
The crystal structure of lillianite
Acta Crystallographica, Section B, 1972, 28, 649-651
2103827 CIF
Paper		C15 H28 N4 O4B m m b9.4157; 26.124; 7.2034
90; 90; 90		1771.9Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, Henrik; Chapuis, Gervais; Möckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.
Urotropin azelate: a rather unwilling co-crystal
Acta Crystallographica Section B, 2003, 59, 72-86
2103906 CIF
HKL
Paper		C17 H32 N4 O4B m m b9.3593; 29.257; 7.2982
90; 90; 90		1998.4Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103931 CIF
HKL
Paper		C13 H24 N4 O4B m m b9.3962; 22.981; 7.3338
90; 90; 90		1583.6Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais
Structural phases of hexamethylenetetramine‒pimelic acid (1/1): a unified description based on a stacking model
Acta Crystallographica Section B, 2003, 59, 527-536
9007551 CIFNi5.629 S4.86B m m b3.274; 16.157; 11.359
90; 90; 90		600.869Fleet, M. E.
The crystal structure of alpha-Ni7S6
Acta Crystallographica, Section B, 1972, 28, 1237-1241
9017297 CIFCa O4 SB m m b6.992; 6.999; 6.24
90; 90; 90		305.367Morikawa, H.; Tomita, T.; Minato, I.; Iwai, S.
Anhydrite: a refinement
Acta Crystallographica, Section B, 1975, 31, 2164-2165
2104270 CIF
HKL
Paper		Pb SBmmm(0\b0)s0013.737; 1.7496; 4.1448
90; 90; 90		99.617Elcoro, Luis; Perez-Mato, J. M.; Friese, Karen; Petříček, Václav; Balić-Žunić, Tonči; Olsen, Lars Arnskov
Modular crystals as modulated structures: the case of the lillianite homologous series
Acta Crystallographica Section B, 2008, 64, 684-701
2002939 CIF
Paper		C8 H2 Br2 O3C -112.923; 9.209; 7.628
105.08; 99.2; 81.29		859.5Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2100160 CIF
Paper		C12 H24 Cl Mn N6 O6C -130.5936; 18.8967; 12.8288
90.18; 111.561; 90.083		6897.5A. David Rae; Susanne Mossin; Henning O. Sørensen
Structure refinement of a twinned pseudo-symmetric crystal of [Mn(C~10~H~24~N~4~)(NCO)~2~]^+^·ClO_4^-
Acta Crystallographica Section B, 2005, 61, 407-417
2100612 CIF
Paper		Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851C -13.6733; 6.312; 11.9039
92.484; 90.687; 89.941		275.72M. Evain; V. Petricek; Y. Moëlo; C. Maurel
First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
Acta Crystallographica Section B, 2006, 62, 775-789
2100627 CIF
Paper		H8 O16 P4 Tl4C -128.483; 9.016; 6.502
90.09; 92.21; 90.49		1668.4Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2104244 CIF
HKL
Paper		C10 H24 N2 Ni O13C -114.719; 28.041; 10.704
90.2; 125.99; 89.87		3574.6Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104245 CIF
HKL
Paper		C10 H24 Cu N2 O13C -114.769; 27.924; 10.642
89.91; 125.88; 90.06		3556.1Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2105062 CIF
Paper		C24 H48 B2 F8 Fe N24C -116.1235; 16.045; 16.3134
83.583; 96.87; 95.663		4148.2Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp
Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds
Acta Crystallographica Section B, 2012, 68, 40-56
2105063 CIF
Paper		C24 H48 B2 F8 Fe N24C -116.3473; 16.3475; 16.3475
81.815; 98.175; 98.18		4246.89Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp
Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds
Acta Crystallographica Section B, 2012, 68, 40-56
2107372 CIFAl Na O8 Si3C -18.138; 12.789; 7.156
94.33; 116.57; 87.65		664.194Ribbe, P.H.; Megaw, H.D.; Ferguson, R.B.; Taylor, W.H.; Traill, R.J.
The albite structures
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1503-1518
9011222 CIFCa O3 SiC -16.853; 11.895; 19.674
90.12; 90.55; 90		1603.68Yamanaka, T.; Mori, H.
The structure and polytypes of alpha-W CaSiO3 (pseudowollastonite)
Acta Crystallographica, Section B, 1981, 37, 1010-1017
9011319 CIFCu0.298 Pb0.95 S3.36 Sb0.408 Sn0.851C -13.6661; 6.3138; 11.9028
92.49; 90.59; 89.986		275.24Evain, M.; Petricek, V.; Moelo, Y.; Maurel, C.
First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
Acta Crystallographica, Section B, 2006, 62, 775-789
9017299 CIFAl0.94 K0.871 Na0.12 O8 Rb0.008 Si3.06C -18.567; 12.98; 7.2
90.07; 116.03; 89.75		719.417Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P17C
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017300 CIFAl0.95 Ba0.006 Ca0.005 K0.904 Na0.085 O8 Si3.05C -18.564; 12.984; 7.201
90.13; 116.02; 89.53		719.53Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample A1D
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017301 CIFAl0.99 K0.94 Na0.06 O8 Si3.01C -18.56; 12.984; 7.209
90.28; 116.03; 89.03		719.851Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1B
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017302 CIFAl0.95 K0.94 Na0.06 O8 Si3.05C -18.574; 12.962; 7.21
90.35; 116.03; 88.8		719.85Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P1C
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017303 CIFAl0.99 K0.92 Na0.08 O8 Si3.01C -18.567; 12.97; 7.221
90.43; 116; 88.48		720.89Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample RC20C
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017304 CIFAl1.01 K0.94 Na0.06 O8 Si2.99C -18.561; 12.972; 7.223
90.56; 115.93; 87.92		720.894Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1E
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017305 CIFAl1.01 K0.94 Na0.06 O8 Si2.99C -18.589; 13.013; 7.197
90; 116.02; 90		722.866Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2B
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017306 CIFAl0.97 Ba0.005 Ca0.009 K0.931 Na0.055 O8 Si3.03C -18.583; 12.988; 7.202
90; 116.05; 90		721.29Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2A
Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017307 CIFAl1.005 Ba0.01 Ca0.01 K0.88 Na0.1 O8 Si2.995C -18.563; 12.99; 7.21
90; 115.93; 90		721.255Dal Negro, A.; De Pieri, R.; Quareni, S.
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1A
Acta Crystallographica, Section B, 1978, 34, 2699-2707
2003076 CIF
Paper		Bi7 O18 Ta3C 134.005; 7.6024; 6.6358
90.086; 109.127; 90.043		1620.8Ling, C. D.; Schmid, S.; Withers, R. L.; Thompson, J. G.; Ishizawa, N.; Kishimoto, S
Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~
Acta Crystallographica Section B, 1999, 55, 157-164
2104292 CIF
Paper		B3 Bi O6C 17.4781; 3.934; 6.2321
93.728; 102.933; 90.756		178.24Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M.
High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data
Acta Crystallographica Section B, 2009, 65, 1-10
2101850 CIF
Paper		C12 H10 Pb S2C 1 1 21/d54.06; 11.468; 7.4387
90; 90; 90		4611.7Rae, A. D.; Craig, D. C.; Dance, I. G.; Scudder, M. L.; Dean, P. A. W.; Kmetic, M. A.; Payne, N. C.; Vittal, J. J.
The Pseudo-Symmetric Structure of Pb(SPh)~2~
Acta Crystallographica Section B, 1997, 53, 457-465
2003099 CIF
Paper		C10 H22 N2 O4C 1 2 126.9873; 4.7471; 9.9652
90; 94.546; 90		1272.64Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2003100 CIF
Paper		C11 H24 N2 O4C 1 2 129.0557; 4.7551; 9.9398
90; 101.358; 90		1346.42Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2003102 CIF
Paper		C11 H24 N2 O4 SC 1 2 131.7681; 4.717; 10.0043
90; 105.914; 90		1441.69Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2021616 CIF
HKL		C2 Ba Ca O6C 1 2 16.6775; 5.0982; 4.19239
90; 109.259; 90		134.736Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn
A new BaCa(CO3)2 polymorph
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75
2100018 CIF
Paper		C48 H70 I N11 O13C 1 2 140.254; 12.53; 11.134
90; 98.48; 90		5554.4Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100021 CIF
Paper		C32 H42 O6 Ti2C 1 2 123.2475; 7.9835; 23.097
90; 132.93; 90		3138.68Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100079 CIF
Paper		C13 H21 Cl N2 O5 SC 1 2 119.127; 6.897; 15.147
90; 119.85; 90		1733.08Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100086 CIF
Paper		C13 H25 O10.5C 1 2 121.735; 4.93; 17.386
90; 123.5; 90		1553.51Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100091 CIF
Paper		C20 H29 N O4C 1 2 117.138; 9.998; 13.404
90; 119.2; 90		2004.86Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100207 CIF
Paper		C50 H77 Cl O55.25C 1 2 118.998; 24.82; 16.662
90; 105.29; 90		7579Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris
Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
Acta Crystallographica Section B, 2005, 61, 207-217
2100216 CIF
Paper		C24 H37 O5.5C 1 2 126.6049; 7.7044; 22.9126
90; 93.424; 90		4688.12Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Hydrogen-bonded aggregations of oxo-cholic acids
Acta Crystallographica Section B, 2005, 61, 346-356
2100471 CIF
Paper		C11.5 H17 N O3C 1 2 115.119; 5.784; 13.8788
90; 105.765; 90		1168Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100472 CIF
Paper		C11 H19 N O4 SC 1 2 114.287; 6.1075; 14.993
90; 93.211; 90		1306.2Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100474 CIF
Paper		C10 H18 N O5 PC 1 2 114.6992; 5.6433; 15.2432
90; 97.333; 90		1254.11Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100475 CIF
Paper		C10 H17 N O5 SC 1 2 130.9967; 6.9861; 5.617
90; 93.354; 90		1214.26Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2101401 CIF
Paper		C24 H31 N O9C 1 2 126.555; 8.737; 11.494
90; 114.32; 90		2430.1Karle, J. M.; Lin, Ai. J.
Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~
Acta Crystallographica Section B, 1995, 51, 1063-1068
2101708 CIF
Paper		C8 H7 F O3C 1 2 18.464; 5.8518; 15.868
90; 107.56; 90		749.3Larsen, S.; Marthi, K.
Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties
Acta Crystallographica Section B, 1997, 53, 280-292
2101872 CIF
Paper		C27 H30 N2 O4C 1 2 121.4; 6.2777; 17.853
90; 109.304; 90		2263.6Gjerløv, A.; Larsen, S.
A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues
Acta Crystallographica Section B, 1997, 53, 708-718
2102124 CIF
Paper		O5 Ta2C 1 2 15.2252; 4.6991; 5.8534
90; 108.2; 90		136.533Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E.
Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~
Acta Crystallographica Section B, 2000, 56, 659-665
2102232 CIF
Paper		C18 H36 Ca N10 O16C 1 2 130.2259; 6.4043; 7.3667
90; 94.61; 90		1421.4Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher
Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding
Acta Crystallographica Section B, 2004, 60, 46-64
2102233 CIF
Paper		C18 H36 N10 O16 SrC 1 2 130.642; 6.4888; 7.3733
90; 94.4319; 90		1461.65Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher
Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding
Acta Crystallographica Section B, 2004, 60, 46-64
2102566 CIF
Paper		C26 H38 O21 S2C 1 2 121.3279; 8.9299; 8.8382
90; 99.4537; 90		1660.43Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.
Supramolecular structures of substituted α,α'-trehalose derivatives
Acta Crystallographica Section B, 2004, 60, 461-471
2102580 CIF
Paper		C35 H47 N5 O7 S3C 1 2 129.39; 12.882; 10.609
90; 103.373; 90		3907.7Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki
Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide
Acta Crystallographica Section B, 2004, 60, 433-437
2102631 CIF
Paper		C122 H56 Ba Co N4C 1 2 125.169; 15.018; 19.429
90; 93.3; 90		7332Karen Friese; Martin Panthöfer; Guang Wu; Martin Jansen
?
Acta Crystallographica, Section B, 2004, 60, 520-527
2102851 CIF
Paper		C20 H22 O4C 1 2 123.2312; 4.975; 15.484
90; 112.53; 90		1653Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2103128 CIF
Paper		C28 H28 N4 O10C 1 2 120.5; 4.6656; 14.201
90; 99.68; 90		1338.9Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines
Acta Crystallographica, Section B, 2002, 58, 530-544
2103162 CIF
Paper		C97 H205 O91.5C 1 2 119.363; 24.597; 15.937
90; 108.95; 90		7178.96Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Some 60 new space-group corrections
Acta Crystallographica Section B, 2002, 58, 62-77
2103163 CIF
Paper		C98 H195.8 O86.9C 1 2 119.316; 24.564; 15.935
90; 108.9; 90		7153.17Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Some 60 new space-group corrections
Acta Crystallographica Section B, 2002, 58, 62-77
2103261 CIF
Paper		C23 H21 N3 O6C 1 2 127.898; 5.145; 15.648
90; 93.49; 90		2241.9Rychlewska, Urszula; Warżajtis, Beata
Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide
Acta Crystallographica Section B, 2002, 58, 265-271
2103606 CIF
Paper		Mo O4 Tl2C 1 2 110.565; 6.4178; 8.039
90; 91.05; 90		545Friese, Karen; Aroyo, Mois I.; Folcia, Cesar L.; Madariaga, Gotzon; Breczewski, Tomasz
Characterization of the room-temperature phase of Tl~2~MoO~4~: crystal structure, symmetry mode analysis and second-harmonic generation measurements
Acta Crystallographica Section B, 2001, 57, 142-150
2103745 CIF
HKL
Paper		C17 H40 N8 O10C 1 2 119.008; 5.073; 13.6723
90; 101.109; 90		1293.7Saraswathi, N. T.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes
Acta Crystallographica Section B, 2001, 57, 842-849
2103748 CIF
Paper		C60 H153.42 O77.18C 1 2 129.31; 9.976; 19.34
90; 121.07; 90		4844Imamura, K.; Nimz, O.; Jacob, J.; Myles, D.; Mason, S. A.; Kitamura, S.; Aree, T.; Saenger, W.
Hydrogen-bond network in cyclodecaamylose hydrate at 20K; neutron diffraction study of novel structural motifs band-flip and kink in α-(1→4)-<small>D</small>-glucoside oligosaccharides
Acta Crystallographica Section B, 2001, 57, 833-841
2103749 CIF
HKL
Paper		C6 H16.305 N4 O5.1525 SeC 1 2 122.493; 5.1624; 9.73
90; 95.68; 90		1124.3de Matos Gomes, E.; Nogueira, E.; Fernandes, I.; Belsley, M.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martín-Gil, J.; Martín-Gil, F.; Mano, J. F.
Synthesis, structure, thermal and non-linear optical properties of <small>L</small>-argininium hydrogen selenite
Acta Crystallographica Section B, 2001, 57, 828-832
2103880 CIF
HKL
Paper		C112 H127 N4 O88.08C 1 2 119.319; 24.19; 33.315
90; 103.924; 90		15112Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M.
Molecular structures of the inclusion complexes β-cyclodextrin‒1,2-bis(4-aminophenyl)ethane and β-cyclodextrin‒4,4'-diaminobiphenyl; packing of dimeric β-cyclodextrin inclusion complexes
Acta Crystallographica Section B, 2003, 59, 287-299
2103962 CIF
HKL
Paper		C19 H44 N8 O10C 1 2 130.278; 5.1414; 19.355
90; 115.776; 90		2713.2Saraswathi, N. T.; Roy, Siddhartha; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XLI. Commonalities in aggregation and conformation revealed by the crystal structures of the pimelic acid complexes of <small>L</small>-arginine and <small>DL</small>-lysine
Acta Crystallographica Section B, 2003, 59, 641-646
2104115 CIF
HKL
Paper		C58 H86 O8C 1 2 131.731; 7.727; 11.017
90; 106.28; 90		2592.9Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław
Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments
Acta Crystallographica Section B, 2008, 64, 383-392
2104204 CIF
HKL
Paper		F5 H8 N2 Nb OC 1 2 114.4051; 5.9715; 7.2312
90; 90.195; 90		622.02Udovenko, Anatoly A.; Laptash, Natalia M.
Orientational disorder and phase transitions in crystals of (NH~4~)~2~NbOF~5~
Acta Crystallographica Section B, 2008, 64, 527-533
2104251 CIF
Paper		C15 H16 N2 O3C 1 2 132.006; 5.4698; 20.8451
90; 128.69; 90		2848.4Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A.
Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide
Acta Crystallographica Section B, 2008, 64, 780-790
2104291 CIF
Paper		B3 Bi O6C 1 2 17.3786; 4.3992; 6.3388
90; 104.374; 90		199.32Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M.
High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data
Acta Crystallographica Section B, 2009, 65, 1-10
2104298 CIF
HKL
Paper		C41 H26 N2 O8C 1 2 116.9672; 8.0833; 25.0204
90; 116.312; 90		3076Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek
Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods
Acta Crystallographica Section B, 2009, 65, 86-95
2104301 CIF
HKL
Paper		C46 H40 N4 O8 SC 1 2 122.374; 9.319; 20.515
90; 110.14; 90		4015.9Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek
Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods
Acta Crystallographica Section B, 2009, 65, 86-95
2104405 CIF
Paper		Bi10 Mo3 O24C 1 2 123.7282; 5.6491; 8.6817
90; 95.87; 90		1157.62Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia
Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy
Acta Crystallographica Section B, 2009, 65, 458-466
2104407 CIF
Paper		Bi14 Mo5 O36C 1 2 134.476; 5.6414; 8.6433
90; 99.69; 90		1657.08Landa-Cánovas, Ángel R.; Vila, Eladio; Hernández-Velasco, Jorge; Galy, Jean; Castro, Alicia
Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy
Acta Crystallographica Section B, 2009, 65, 458-466
2104586 CIF
Paper		C14 H21 N O7C 1 2 18.913; 5.0967; 31.892
90; 95.313; 90		1442.5Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104805 CIF
HKL
Paper		C23 H30 N2C 1 2 128.37; 6.6841; 21.6271
90; 105.94; 90		3943.4Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey
Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons
Acta Crystallographica Section B, 2010, 66, 472-481
2104832 CIF
Paper		Cl2 H8 Mg O12C 1 2 111.48059; 8.00253; 5.93697
90; 112.328; 90		504.56Robertson, Kevin; Bish, David
Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method
Acta Crystallographica Section B, 2010, 66, 579-584
2105042 CIF
Paper		Ca H O4.5 SC 1 2 117.518; 6.9291; 12.0344
90; 133.655; 90		1056.89Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang
Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O
Acta Crystallographica Section B, 2011, 67, 467-475
2105073 CIF
HKL
Paper		C50 H102 O46 S2C 1 2 118.8929; 24.4634; 15.7376
90; 110.52; 90		6812.18Rácz, Csaba-Pal; Borodi, Gheorghe; Pop, Mihaela Maria; Kacso, Irina; Sánta, Szabolcs; Tomoaia-Cotisel, Maria
Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data
Acta Crystallographica Section B, 2012, 68, 164-170
2105443 CIF
HKL
Paper		C80.75 H175.5 O82.25C 1 2 128.7452; 27.0276; 15.7252
90; 95.827; 90		12154Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105444 CIF
HKL
Paper		C79.46 H120.12 O73.55C 1 2 128.725; 27.195; 15.838
90; 95.92; 90		12306Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105445 CIF
HKL
Paper		C78.5 H86.4 O73.2C 1 2 128.712; 27.267; 15.79
90; 95.4; 90		12307Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105942 CIF
HKL
Paper		C80.75 H175.5 O82.25C 1 2 128.7452; 27.0276; 15.7252
90; 95.827; 90		12154Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105943 CIF
HKL		C79.46 H120.12 O73.55C 1 2 128.725; 27.195; 15.838
90; 95.92; 90		12306Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105944 CIF
HKL		C78.5 H86.4 O73.2C 1 2 128.712; 27.267; 15.79
90; 95.4; 90		12307Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2106187 CIFCr P S4C 1 2 110.871; 7.254; 6.14
90; 91.88; 90		483.929Diehl, R.; Carpentier, C.D.
The crystal structure of chromium thiophosphate, Cr P S4
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1399-1404
2106272 CIFGa H12 Li O8C 1 2 117.38; 6.394; 7.534
90; 92.8; 90		836.237Caranoni, C.; Capella, L.; Pepe, G.
Structure cristalline du gallate de lithium hexahydrate, Li Ga O2 (H2 O)6
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 741-745
2106539 CIFBi2 O6 UC 1 2 16.872; 4.009; 9.69
90; 90.16; 90		266.957Koster, A.S.; Renaud, J.P.P.; Rieck, G.D.
The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 127-131
2106777 CIF
HKL
Paper		Bi14 O36 S5C 1 2 121.658; 5.6648; 15.092
90; 119.433; 90		1612.6Pinto, Daniela; Garavelli, Anna; Bindi, Luca
Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~
Acta Crystallographica Section B, 2015, 71
2108128 CIF
HKL
Paper		C12 H29 Br2 Ca O15C 1 2 116.1449; 7.8881; 11.4702
90; 128.842; 90		1137.75Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108129 CIF
HKL		C12 H29 Br2 O15 SrC 1 2 116.439; 8.024; 11.1931
90; 128.142; 90		1161.2Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108370 CIF
HKL
Paper		C10 H17 N O6C 1 2 121.2256; 5.67647; 32.0621
90; 100.17; 90		3802.35Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108371 CIF
HKL		C10 H17 N O6C 1 2 121.2633; 5.67322; 32.053
90; 100.076; 90		3807Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108372 CIF
HKL		C10 H17 N O6C 1 2 121.33; 5.67423; 32.0776
90; 99.937; 90		3824.15Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108373 CIF
HKL		C10 H17 N O6C 1 2 121.3889; 5.67352; 32.0754
90; 99.818; 90		3835.4Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108374 CIF
HKL		C10 H17 N O6C 1 2 121.4563; 5.67251; 32.0779
90; 99.653; 90		3849Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108375 CIF
HKL		C10 H17 N O6C 1 2 121.5229; 5.6692; 32.0754
90; 99.486; 90		3860.2Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108376 CIF
HKL		C10 H17 N O6C 1 2 121.6021; 5.6701; 32.0856
90; 99.299; 90		3878.4Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108377 CIF
HKL		C10 H17 N O6C 1 2 121.6777; 5.665; 32.0878
90; 99.115; 90		3890.8Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108378 CIF
HKL		C10 H17 N O6C 1 2 121.7528; 5.6663; 32.0956
90; 98.955; 90		3907.8Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108383 CIF
HKL		C15 H12 O9.5C 1 2 123.2416; 5.2305; 25.4061
90; 102.634; 90		3013.7Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B.
Taxifolin tubes: crystal engineering and characteristics
Acta Crystallographica Section B, 2019, 75
2108385 CIF
HKL		C26 H26 N4 O4C 1 2 123.479; 8.602; 16.899
90; 129.963; 90		2615.9Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108386 CIF
HKL		C30 H34 N4 O6C 1 2 122.9673; 8.8676; 16.7749
90; 118.613; 90		2999.2Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108489 CIF
HKL
Paper		Ca Cu6 O18 P4 Rb2C 1 2 116.8913; 5.6406; 8.3591
90; 93.919; 90		794.57Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N.
Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates
Acta Crystallographica Section B, 2019, 75
2108656 CIF
HKL		C29 H20 Br3 Mn O4 P2 SC 1 2 115.366; 16.035; 14.327
90; 91.21; 90		3529.3Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier
The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions
Acta Crystallographica Section B, 2020, 76
2108762 CIF
Paper		C16 H26 O6C 1 2 112.5887; 6.9; 18.2523
90; 107.227; 90		1514.31Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold
The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal
Acta Crystallographica Section B, 2021, 77
2108984 CIF
HKL
Paper		C68 H67 N4 O18 Zn2C 1 2 112.05; 8.11; 31.47
90; 92.48; 90		3073Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia
Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes
Acta Crystallographica Section B, 2022, 78
2311632 CIFC19 H22 Cl N O8C 1 2 121.931; 8.6541; 11.797
90; 117.57; 90		1984.7Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
1000158 CIFCr F5 MnC 1 2/c 18.586; 6.291; 7.381
90; 115.46; 90		360Ferey, G; de Pape, R; Poulain, M; Grandjean, D; Hardy, A
La structure cristalline de Mn Cr F~5~
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1409-1413
1000159 CIFCr F5 MnC 1 2/c 18.856; 6.291; 7.381
90; 115.46; 90		371.3Ferey, G; de Pape, R; Boucher, B
Structure magnetique du fluorure antiferromagnetique Mn Cr F~5~
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091
1000160 CIFCr F5 MnC 1 2/c 18.856; 6.291; 7.381
90; 115.46; 90		371.3Ferey, G; de Pape, R; Boucher, B
Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091
1001784 CIFH13 N3 O8 S2C 1 2/c 115.435; 5.865; 10.1696
90; 101.829; 90		901.1Leclaire, A; Ledesert, M; Monier, J C; Daoud, A; Damak, M
Structure du disulfate acide de triammonium. Une redetermination. Relations des chaines de liaisons hydrogene avec la morphologie et la conductivite eletrique
Acta Crystallographica B (39,1983-), 1985, 41, 209-213
1007009 CIFBe2 H4 N O10 P3C 1 2/c 112.202; 8.645; 8.949
90; 117.41; 90		838Averbuch-Pouchot, M T; Durif, A; Coing-Boyat, J; Guitel, J C
Phosphoberyllate d'ammonium
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 203-205
1007010 CIFH4 N O12 P4 PrC 1 2/c 17.916; 12.647; 10.672
90; 110.34; 90		1001.8Masse, R.; Guitel, J. C.; Durif, A.
Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrNH~4~P~4~O~12~. Donnees cristallographiques de PrNH~4~P~4~O~12~
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 630-632
1007014 CIFAg Ba H8 O13 P3C 1 2/c 121.35; 7.163; 18.35
90; 121.72; 90		2387.1Seethanen, D; Durif, A; Guitel, J C
Structure cristalline du trimetaphosphate de baryum-argent tetrahydrate. Ba Ag P~3~ O~9~ (H~2~ O)~4~
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2716-2719
1007027 CIFBa2 H20 O28 P6 ZnC 1 2/c 126.52; 7.625; 12.92
90; 100.93; 90		2565.2Durif, A; Averbuch-Pouchot, M T; Guitel, J C
Structure cristalline du trimetaphosphate de baryum-zinc decahydrate Ba~2~ Zn (P~3~ O~9~)~2~ (H~2~ O)~10~
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2680-2682
1007041 CIFCd Cr4 H12 N2 O16C 1 2/c 114.48; 6.974; 15.86
90; 93.25; 90		1599Blum, D; Durif, A; Guitel, J C
Structure du dichromate de cadmium et d'ammonium dihydrate: Cd (N H~4~)~2~ (Cr~2~ O~7~)~2~ (H~2~ O)~2~
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 137-139
1008013 CIFFe H4 O11 P3C 1 2/c 112.076; 8.443; 9.352
90; 112.1; 90		883.5Averbuch, M T; Guitel, J C
Un tripolyphosphate acide de fer Fe H~2~ P~3~ O~10~ . H~2~ O
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1613-1615
1008498 CIFCu O6 Pt Sr3C 1 2/c 19.317; 9.72; 6.685
90; 91.95; 90		605.1Hodeau, J L; Tu, H Y; Bordet, P; Fournier, T; Strobel, P; Marezio, M; Chandrashekhar, G V
Structure and twinning of Sr~3~CuPtO~6~
Acta Crystallographica B (39,1983-), 1992, 48, 1-11
1008812 CIFB4 H20 Na2 O17C 1 2/c 111.885; 10.654; 12.206
90; 106.623; 90		1481Levy, H. A.; Lisensky, G. C.
Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Note: anisoU's from ICSD
Acta Crystallographica, Section B, 1978, 34, 3502-3510
2002922 CIF
Paper		C12 H22 N2 O2C 1 2/c 131.2595; 5.1534; 8.2639
90; 104.189; 90		1290.64Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H.
Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns
Acta Crystallographica Section B, 1998, 54, 695-704
2002932 CIF
HKL
Paper		C6 H2 Cl2 N2 O2C 1 2/c 111.397; 8.871; 7.222
90; 95.12; 90		727.3Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002933 CIF
HKL
Paper		C6 H2 Cl2 N2 O2C 1 2/c 111.554; 8.926; 7.31
90; 96.1; 90		749.6Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002936 CIF
HKL
Paper		C6 H2 Cl2 N2 O2C 1 2/c 17.2233; 9.0549; 11.57
90; 95.315; 90		753.5Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002937 CIF
HKL
Paper		C6 H2 Cl2 N2 O2C 1 2/c 17.293; 9.061; 11.618
90; 96.12; 90		763.4Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002938 CIF
HKL
Paper		C8 H2 Cl2 O3C 1 2/c 111.987; 8.994; 7.423
90; 92.91; 90		799.2Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002964 CIFCs3 H3.5 O12 P0.5 S2.5C 1 2/c 119.769; 7.685; 8.858
90; 100.6; 90		1322.8Acta Crystallographica, Section B, 1999, 55, 285-296
2002965 CIFCs3 H3.5 O12 P0.5 S2.5C 1 2/c 119.769; 7.685; 8.858
90; 100.6; 90		1322.8Acta Crystallographica, Section B, 1999, 55, 285-296
2002977 CIF
HKL
Paper		C24 H18 N2 O2C 1 2/c 113.0288; 12.1865; 12.0778
90; 105.199; 90		1850.6Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
Acta Crystallographica Section B, 1999, 55, 591-600
2002979 CIF
HKL
Paper		C60 H44 N6 O8 S2C 1 2/c 115.8692; 24.3728; 13.0952
90; 102.362; 90		4947.5Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
Acta Crystallographica Section B, 1999, 55, 591-600
2003016 CIF
Paper		C6 H14 I2 N2 O2 ZnC 1 2/c 114.005; 13.697; 15.755
90; 110.88; 90		2824Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J.
A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~
Acta Crystallographica Section B, 1998, 54, 663-670
2003025 CIF
Paper		Fe H2 O5 SeC 1 2/c 17.14; 8.05; 7.84
90; 118.1; 90		398Aleksovska, S.; Petrusevski, V. M.; Soptrajanov, B.
Calculation of Structural Parameters in Isostructural Series: the Kieserite Group
Acta Crystallographica Section B, 1998, 54, 564-567
2003075 CIF
Paper		C40 H42 Ce Mn2 N14 O25C 1 2/c 112.94; 18.06; 22.544
90; 96.29; 90		5237D. Ramalakshmi; M. V. Rajasekharan
Crystallographic disorder in mixed-valent dioxo-bridged Mn^III,IV^ complexes. [Mn~2~O~2~(bpy)~4~][Ce(NO~3~)~6~].5H~2~O
Acta Crystallographica Section B, 1999, 55, 186-191
2003084 CIF
Paper		C38 H18 Cl14 Mo6 O6C 1 2/c 118.205; 13.54; 18.679
90; 97.93; 90		4560.3Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal
The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions
Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423
2003122 CIF
Paper		As F4 H2 K O2C 1 2/c 14.818; 16.001; 6.374
90; 99.36; 90		484.8Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J.
Structures of Fluoroarsenates KAsF~6<i>n~</i>(OH)~<i>n~</i>, <i>n</i> = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures
Acta Crystallographica Section B, 1998, 54, 809-818
2003129 CIF
HKL
Paper		Al Li O6 Si2C 1 2/c 19.462; 8.392; 5.221
90; 110.18; 90		389.12Kuntzinger, Sandrine; Ghermani, Nour Eddine
Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data
Acta Crystallographica Section B, 1999, 55, 273-284
2003130 CIF
HKL
Paper		Al Li O6 Si2C 1 2/c 19.456; 8.386; 5.216
90; 110.13; 90		388.35Kuntzinger, Sandrine; Ghermani, Nour Eddine
Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data
Acta Crystallographica Section B, 1999, 55, 273-284
2003165 CIF
HKL
Paper		C22 H48 Cl2 N6 O8 ZnC 1 2/c 110.191; 17.678; 17.754
90; 99.42; 90		3155Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.
Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn
Acta Crystallographica Section B, 1999, 55, 380-388
2003166 CIF
HKL
Paper		C22 H48 Cl2 N6 Ni O8C 1 2/c 110.177; 17.648; 17.605
90; 99.7; 90		3116.7Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.
Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn
Acta Crystallographica Section B, 1999, 55, 380-388
2020864 CIF
HKL
Paper		C16 H24 Br4 Cu N2C 1 2/c 117.6373; 9.4076; 14.7798
90; 118.396; 90		2157.27Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2020866 CIF
HKL
Paper		C14 H20 Br4 Cu N2C 1 2/c 114.551; 7.8249; 17.0624
90; 97.54; 90		1925.93Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2020867 CIF
HKL
Paper		C14 H20 Br4 Cu N2C 1 2/c 114.6041; 7.9883; 17.1986
90; 97.345; 90		1989.96Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2020868 CIF
HKL
Paper		C14 H20 Cl4 Cu N2C 1 2/c 114.3451; 7.5569; 16.6038
90; 96.309; 90		1789.03Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2020869 CIF
HKL
Paper		C14 H20 Cl4 Cu N2C 1 2/c 114.4831; 7.7267; 16.6432
90; 95.84; 90		1852.82Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.
The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60
2021898 CIFC4 H11 F N5 O4 PC 1 2/c 120.6578; 8.922; 13.9144
90; 129.181; 90		1987.92Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021899 CIFC4 H11 F N5 O4 PC 1 2/c 120.6416; 8.9068; 13.9075
90; 129.118; 90		1983.77Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021900 CIFC4 H11 F N5 O4 PC 1 2/c 120.6339; 8.8975; 13.9054
90; 129.096; 90		1981.28Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021901 CIFC4 H11 F N5 O4 PC 1 2/c 120.6096; 8.8814; 13.8865
90; 129.047; 90		1974.05Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021902 CIFC4 H11 F N5 O4 PC 1 2/c 120.5877; 8.8673; 13.8912
90; 128.997; 90		1970.88Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021903 CIFC4 H11 F N5 O4 PC 1 2/c 120.5748; 8.853; 13.8869
90; 128.962; 90		1966.83Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021904 CIFC4 H11 F N5 O4 PC 1 2/c 120.5719; 8.8396; 13.9003
90; 128.924; 90		1966.53Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021905 CIFC4 H11 F N5 O4 PC 1 2/c 120.5473; 8.8249; 13.8851
90; 128.914; 90		1959.04Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1–x trioxofluorophosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021906 CIFC4 H11 F N5 O4 PC 1 2/c 120.5418; 8.812; 13.8845
90; 128.89; 90		1956.23Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021907 CIFC4 H11 F N5 O4 PC 1 2/c 120.5237; 8.8033; 13.8813
90; 128.85; 90		1953.22Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021908 CIFC4 H11 F N5 O4 PC 1 2/c 120.5134; 8.7963; 13.8768
90; 128.806; 90		1951.27Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021909 CIFC4 H11 F N5 O4 PC 1 2/c 120.4891; 8.7848; 13.8632
90; 128.781; 90		1945.18Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021910 CIFC4 H11 F N5 O4 PC 1 2/c 120.5006; 8.7803; 13.8618
90; 128.797; 90		1944.64Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021911 CIFC4 H11 F N5 O4 PC 1 2/c 120.4756; 8.7798; 13.8428
90; 128.764; 90		1940.4Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021912 CIFC4 H11 F N5 O4 PC 1 2/c 120.463; 8.7767; 13.8368
90; 128.717; 90		1938.95Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021913 CIFC4 H11 F N5 O4 PC 1 2/c 120.4273; 8.7714; 13.7988
90; 128.623; 90		1931.62Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021919 CIFC12 H4 N4C 1 2/c 18.8782; 6.9117; 16.398
90; 98.288; 90		995.7Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab
Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71
2022898 CIF
HKL
Paper		C19 H21 N O8C 1 2/c 128.0626; 9.2719; 14.6075
90; 107.081; 90		3633.13Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2100130 CIFC23 H27 N7 O3C 1 2/c 133.9318; 5.025; 30.4072
90; 122.689; 90		4363.47Acta Crystallographica, Section B, 2005, 61, 569-576
2100153 CIF
HKL
Paper		C6 H5 F OC 1 2/c 117.1336; 8.2766; 11.4975
90; 100.234; 90		1604.5Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100158 CIF
Paper		C20 H16 Cl2 ZrC 1 2/c 115.387; 10.512; 11.927
90; 121.85; 90		1638.7Stash, Adam I.; Tanaka, Kiyoaki; Shiozawa, Kazunari; Makino, Hitoshi; Tsirelson, Vladimir G.
Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis
Acta Crystallographica Section B, 2005, 61, 418-428
2100163 CIF
Paper		C3 H4 N2 O2C 1 2/c 19.3538; 12.1757; 7.2286
90; 104.593; 90		796.7Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.
A third blind test of crystal structure prediction
Acta Crystallographica Section B, 2005, 61, 511-527
2100222 CIF
Paper		C20 H24 O7C 1 2/c 115.3519; 10.4044; 11.8506
90; 109.607; 90		1783.11Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100223 CIF
Paper		C21 H29 Cl N O6.5C 1 2/c 136.0403; 7.8165; 17.0066
90; 111.792; 90		4448.5Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345

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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.