Crystallography Open Database

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2105994 CIF
HKL
C85.46 H157.49 Cr7.07 F8 N Ni0.93 O33.5P 1 21/c 124.8611; 16.5028; 30.85
90; 110.092; 90
11886.8Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105991 CIF
HKL
Paper
C85.39 H157.5 Cr7.01 F8 Mn N O33.5P 1 21/c 124.9224; 16.5198; 30.8326
90; 110.356; 90
11901.4Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2104485 CIF
Paper
C68 H54 Co4 O8 P4F d d 233.916; 35.276; 9.976
90; 90; 90
11935.5Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2312118 CIF
HKL
Paper
C18 H16 O SiP 122.151; 24.498; 25.108
114.23; 101.09; 95.4
11963Krawczyk, Monika K.
Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251
2312120 CIF
HKL
Paper
C18 H16 O SiP -122.151; 24.498; 25.108
114.23; 101.09; 95.4
11963Krawczyk, Monika K.
Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251
2105995 CIF
HKL
C85.4 H157.5 Cr7.07 F8 N O33.5 Zn0.925P 1 21/c 124.941; 16.549; 30.871
90; 109.97; 90
11976Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2312119 CIF
HKL
Paper
C18 H16 O SiP 122.178; 24.504; 25.106
114.21; 101.16; 95.37
11978Krawczyk, Monika K.
Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251
2312121 CIF
HKL
Paper
C18 H16 O SiP -122.178; 24.504; 25.106
114.21; 101.16; 95.37
11978Krawczyk, Monika K.
Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251
2105996 CIF
HKL
C85.39 H157.49 Cd0.89 Cr7.11 F8 N O33.5P 1 21/c 125.0715; 16.5459; 31.1595
90; 111.223; 90
12049.3Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105992 CIF
HKL
C85.4 H157.49 Cr7.02 F8 Fe0.98 N O33.5P 1 21/c 125.0491; 16.6301; 30.9272
90; 110.183; 90
12092.2Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105993 CIF
HKL
C85.42 H157.48 Co0.94 Cr7.06 F8 N O33.5P 1 21/c 125.0305; 16.6392; 30.9101
90; 110.025; 90
12095.4Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
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
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
2105997 CIFC86 H160 Cr7 Cu F8 N O33P 1 21/c 125.0974; 16.6749; 30.9582
90; 110.205; 90
12158.6Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2108687 CIF
HKL
C128 H85 Co4 N12 O18P 1 21/c 131.055; 23.792; 16.54
90; 94.255; 90
12187Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
Acta Crystallographica Section B, 2020, 76
2101170 CIF
Paper
C53 H39.5 Au Cl0.5 F6 O8 Os3 P4C 1 2/c 137.46; 9.645; 34.86
90; 104.6; 90
12188Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M.
Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present
Acta Crystallographica Section B, 1994, 50, 441-447
2108657 CIF
HKL
Paper
C260 H264 N24 O40I 4 2 221.91; 21.91; 25.44
90; 90; 90
12212Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz
C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR
Acta Crystallographica Section B, 2020, 76
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
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
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
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
2108653 CIFF120 Ga20 K60I 41/a :219.1124; 19.1124; 34.4165
90; 90; 90
12571.8King, Graham
New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~
Acta Crystallographica Section B, 2020, 76
2106185 CIFH15 Mo12 O46 PF d -3 m :223.255; 23.255; 23.255
90; 90; 90
12576.2Clark, C.J.; Hall, D.
Dodecamolybdophosphoric acid circa 30-hydrate
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1545-1547
2020862 CIF
HKL
Paper
C32 H22 Cu2 N0 O10P 42/m n m18.757; 18.757; 36.092
90; 90; 90
12698.1Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai
Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613-610
2105429 CIFB65.9 YF m -3 c23.44; 23.44; 23.44
90; 90; 90
12878.7Richards, S.M.; Kasper, J.S.
The crystal structure of Y B66
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 237-251
2108957 CIF
Paper
C36 H39 N3R -3 :H52.879; 52.879; 5.36308
90; 90; 120
12987.1Vilche, Anna; Bujaldón, Roger; Alcobé, Xavier; Velasco, Dolores; Puigjaner, Cristina
Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first <i>N</i>,<i>N</i>',<i>N</i>''-trialkyldiindolocarbazole
Acta Crystallographica Section B, 2022, 78, 253-260
2101324 CIF
Paper
C32 H45 Ag N3 O7.5C 1 2/c 134.545; 10.035; 38.188
90; 98.83; 90
13081.3Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H.
Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex
Acta Crystallographica Section B, 1995, 51, 293-300
2003003 CIF
Paper
?P 4 21 223.808; 23.808; 23.14
90; 90; 90
13116Steiner, T.; Saenger, W.
Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate
Acta Crystallographica Section B, 1998, 54, 450-455
2104524 CIF
Paper
C42 H48F d d 225.898; 74.105; 6.853
90; 90; 90
13152Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2100742 CIF
Paper
C51 H122 O58P 4 21 223.8093; 23.8093; 23.2069
90; 90; 90
13155.6Ding, J.; Steiner, T.; Saenger, W.
Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex
Acta Crystallographica Section B, 1991, 47, 731-738
2100741 CIF
Paper
C51 H122 O58P 4 21 223.84; 23.84; 23.227
90; 90; 90
13201Ding, J.; Steiner, T.; Saenger, W.
Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex
Acta Crystallographica Section B, 1991, 47, 731-738
2103879 CIF
HKL
Paper
C82 H72 N2 O4 Si4P -120.787; 24.404; 29.456
83.68; 89.65; 67.11
13671Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
The 1:1 adduct of triphenylsilanol and 4,4'-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having <i>Z</i>' = 0.5, 1 and 4
Acta Crystallographica Section B, 2003, 59, 277-286
2105088 CIF
HKL
Paper
C75 H44 N8 O23.04 Zn5C 1 2/c 133.957; 23.8834; 17.1688
90; 90.079; 90
13924Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen
Two novel Zn-MOFs: structures and characterization
Acta Crystallographica Section B, 2012, 68, 158-163
9013393 CIFO2 SiF 19.932; 17.216; 81.864
90; 90; 90
13997.9Konnert, J. H.; Appleman, D. E.
The crystal structure of low tridymite
Acta Crystallographica, Section B, 1978, 34, 391-403
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
2107148 CIFNa43.82 Tl7F -4 3 m24.154; 24.154; 24.154
90; 90; 90
14091.8Samson, S.; Hansen, D.A.
Complex cubic A6 B compounds. I. The crystal structure of Na6 Tl
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 930-935
2101808 CIF
Paper
C80 H112 N8 NiP 1 21/n 122.347; 37.246; 18.834
90; 115.185; 90
14186Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J.
Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel
Acta Crystallographica Section B, 1997, 53, 231-240
2103953 CIF
Paper
C80 H112 N8 NiC 1 2/c 122.975; 36.38; 18.926
90; 115.266; 90
14306Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William
Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition
Acta Crystallographica Section B, 2003, 59, 617-624
2103952 CIF
Paper
C80 H112 N8 NiC 1 2/c 122.468; 37.01; 18.942
90; 114.518; 90
14331Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William
Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition
Acta Crystallographica Section B, 2003, 59, 617-624
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
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
2101807 CIF
Paper
C80 H112 N8 NiC 1 2/c 122.55; 37.14; 18.994
90; 114.6; 90
14464Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J.
Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel
Acta Crystallographica Section B, 1997, 53, 231-240
2103955 CIF
Paper
C80 H112 N8 NiC 1 2/c 126.9247; 33.391; 19.1056
90; 121.471; 90
14650.1Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William
Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition
Acta Crystallographica Section B, 2003, 59, 617-624
2102127 CIF
Paper
Al96 Ca48 O384 Si96F m -3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2102128 CIF
Paper
Al96 Ca48 O384 Si96F m -3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2102129 CIF
Paper
Al96 Ca48 O384 Si96F m -3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2102130 CIF
Paper
Al96 Ca48 O384 Si96F -4 3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2103954 CIF
Paper
C80 H112 N8 NiC 1 2/c 127.037; 33.449; 19.177
90; 121.65; 90
14763Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William
Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition
Acta Crystallographica Section B, 2003, 59, 617-624
2105766 CIF
Paper
C89 H102 Ag22 F48 O44 S12C 1 2/c 121.9927; 14.8488; 45.797
90; 93.937; 90
14920.4Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.
Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles
Acta Crystallographica Section B, 2014, 70, 37-46
2105765 CIF
Paper
C86 H96 Ag22 F48 O44 S12C 1 2/c 122.076; 14.793; 45.863
90; 93.501; 90
14950Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.
Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles
Acta Crystallographica Section B, 2014, 70, 37-46
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
2104896 CIF
Paper
C12 H16 Co N8 O6 V2I 41/a :222.8606; 22.8606; 29.2658
90; 90; 90
15294.5Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.
Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104897 CIF
Paper
C12 H16 Co N8 O6 V2I 41/a :222.8863; 22.8863; 29.27
90; 90; 90
15331.1Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.
Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2108566 CIF
HKL
C7 H7.75 N Na O4.875 SP 1 21/n 118.6212; 28.4622; 29.1642
90; 93.4511; 90
15429Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander
On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace
Acta Crystallographica Section B, 2020, 76
2104891 CIF
Paper
C12 H16 Mn N8 O6 V2I 41/a :223.0354; 23.0354; 29.6005
90; 90; 90
15706.9Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.
Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2107314 CIFAl96 Ca47.04 H217.28 O492.64 Si96F d -3 :225.06; 25.06; 25.06
90; 90; 90
15737.8Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A.
Atomic scale mechanism of CaX zeolite dehydration
Acta Crystallographica B (39,1983-), 1989, 45, 124-128
2107315 CIFAl92 Ca40.32 H64 O416 Si100F d -3 :225.06; 25.06; 25.06
90; 90; 90
15737.8Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A.
Atomic scale mechanism of CaX zeolite dehydration
Acta Crystallographica B (39,1983-), 1989, 45, 124-128
2107316 CIFAl96 Ca46.1 H21.8 O394.9 Si96F d -3 :225.06; 25.06; 25.06
90; 90; 90
15737.8Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A.
Atomic scale mechanism of CaX zeolite dehydration
Acta Crystallographica B (39,1983-), 1989, 45, 124-128
2107317 CIFAl96 Ca49.1 O384 Si96F d -3 :225.06; 25.06; 25.06
90; 90; 90
15737.8Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A.
Atomic scale mechanism of CaX zeolite dehydration
Acta Crystallographica B (39,1983-), 1989, 45, 124-128
2108846 CIF
HKL
Cd432.91 Mg177.41 Y90.4P a -325.0654; 25.0654; 25.0654
90; 90; 90
15748Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid
2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems
Acta Crystallographica Section B, 2021, 77
2104892 CIF
Paper
C12 H16 Mn N8 O6 V2I 41/a :223.0473; 23.0473; 29.6521
90; 90; 90
15750.5Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.
Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2107318 CIFAl92 Ca39.36 H121.28 O444.64 Si100F d -3 :225.08; 25.08; 25.08
90; 90; 90
15775.5Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A.
Atomic scale mechanism of CaX zeolite dehydration
Acta Crystallographica B (39,1983-), 1989, 45, 124-128
2104893 CIF
Paper
C12 H16 Mn N8 O6 V2I 41/a :223.0645; 23.0645; 29.6897
90; 90; 90
15794.1Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D.
Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2107469 CIF
Paper
C38 H42 Cu N6 O11F d d 227; 56.855; 10.756
90; 90; 90
16511Pradhan, Subhashis; Moon, Dohyun; John, Rohith P.
A double stranded metal‒organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling
Acta Crystallographica Section B, 2016, 72, 102-108
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
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
2106556 CIFH92 Hf18 O121 S13P 63/m34.09; 34.09; 17.664
90; 90; 120
17777.6Mark, W.; Hansson, M.
The crystal structure of Hf18 O10 (O H)26 (S O4)13 (H2 O)33
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1101-1108
2102086 CIF
Paper
Al477.44 Cr63.42 Fe51.42P 63/m40.68; 40.68; 12.546
90; 90; 120
17980Mo, Z.M.; Zhou, H.Y.; Kuo, K.H.
Structure of ν-Al~80.61~Cr~10.71~Fe~8.68~, a giant hexagonal approximant of a quasicrystal determined by a combination of electron microscopy and X-ray diffraction
Acta Crystallographica Section B, 2000, 56, 392-401
2002983 CIF
Paper
O7 V2 ZrP a -326.296; 26.296; 26.296
90; 90; 90
18183.1Evans, J.S.O.; Hanson, J.C.; Sleight, A.W.
Room-Temperature Superstructure of ZrV~2~O~7~
Acta Crystallographica Section B, 1998, 54, 705-713
2104681 CIF
HKL
Paper
C24 H17.2 Fe Na2 O4.6P b c a36.4368; 11.5998; 45.8014
90; 90; 90
19358.4Gallagher, John F.; Alley, Steven; Brosnan, Marianne; Lough, Alan J.
1,1'-Fc(4-C~6~H~4~CO~2~Et)~2~ and its unusual salt derivative with <i>Z</i>' = 5, <i>catena</i>-[Na^+^]~2~[1,1'-Fc(4-C~6~H~4~CO~2~^{-^})~2~]·0.6H~2~O [1,1'-Fc = (η^5^-(C~5~H~4~)~2~Fe]
Acta Crystallographica Section B, 2010, 66, 196-205
9007597 CIFF H28 Na7 O27 P2F d -3 c :227.755; 27.755; 27.755
90; 90; 90
21380.8Baur, W. H.; Tillmanns, E.
Salt hydrates. X. The crystal structure determinations of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Note: not all H were located Locality: synthetic
Acta Crystallographica, Section B, 1974, 30, 2218-2224
9007598 CIFAs2 F H28 Na7 O27F d -3 c :228.12; 28.12; 28.12
90; 90; 90
22235.5Baur, W. H.; Tillmanns, E.
Salt hydrates. X. The crystal structure determination of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt
Acta Crystallographica, Section B, 1974, 30, 2218-2224
2108428 CIFC149 N30 O78 S6P 21 21 2118.5453; 30.1766; 39.798
90; 90; 90
22272Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene
Revisiting the structure of a synthetic somatostatin analogue for peptide drug design
Acta Crystallographica Section B, 2019, 75
2102370 CIF
Paper
C106 H60 N2 O32 P4 Pd4 Ru12F d d 231.343; 29.969; 23.979
90; 90; 90
22523.9Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2021924 CIFC18 H33 Eu5 O18I a -3 d28.7121; 28.7121; 28.7121
90; 90; 90
23669.8Abdallah, Amal; Ammar, Souad; Ban, Voraksmy; Sibille, Romain; Francois, Michel
Ab initio structure determination of [Eu5(C2H4O2)6(CH3CO2)3] n by X-ray powder diffraction
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 592
2103374 CIF
Paper
C216 H180 Hg32 Se50P 32 2 122.753; 22.753; 53.02
90; 90; 120
23771Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2104499 CIF
Paper
?C 1 2/c 132.0109; 21.9539; 37.7303
90; 111.057; 90
24744.9Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2021078 CIF
HKL
C251.4 H217.15 Cl0.2 F6 Fe6 N11.65 O22P 1 21/n 135.549; 21.056; 36.869
90; 115.485; 90
24912Becker, Sabine
The crystal structure of [Fe2(PIMIC6)(AnthCO2)(CH3CN)]·[Fe2(PIMIC6)(AnthCO2)(CH3CN)0.9(CH2Cl2)0.1]·[Fe2(PIMIC6)(AnthCO2)(OH2)]·0.75CH3CN: a crystallographer's nightmare or a fascinating case of disorder?
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74
2104478 CIF
Paper
C54 H68 F12 N8 Ni3 O8 P2F d d 236.282; 54.429; 13.198
90; 90; 90
26063.3Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2106168 CIFCd1.89 Na1.11F d -3 m :130.56; 30.56; 30.56
90; 90; 90
28540.4Yang Qibin; Andersson, S.; Stenberg, L.
An alternative description of the structure of Na Cd2
Acta Crystallographica B (39,1983-), 1987, 43, 14-16
2100852 CIF
Paper
C78 H98 N30 O49 P7P 43 21 242.56; 42.56; 24.61
90; 90; 90
44577Cervi, A. R.; Langlois d'Estaintot, B.; Hunter, W. N.
Crystal and molecular structure of d(GTCTAGAC)
Acta Crystallographica Section B, 1992, 48, 714-719
2101317 CIF
Paper
Cs6 O36 W11R -3 cr {rhombohedral axes}37.097; 37.097; 37.097
90; 90; 90
51052.4Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2020863 CIF
HKL
C32 H22 N0 Ni3.17 O16F m -3 m40.9779; 40.9779; 40.9779
90; 90; 90
68810Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai
Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613
2104374 CIF
HKL
Paper
Al3339.8 Cu231.95 Ta2336F -4 3 m45.376; 45.376; 45.376
90; 90; 90
93428Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter
Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement
Acta Crystallographica Section B, 2009, 65, 308-317
2105953 CIFAl67.4 Ni14.7 Rh17.8P 1150; 150; 4.181
90; 90; 90
94072.5Logvinovich, Dmitry; Simonov, Arkadiy; Steurer, Walter
Structure of decagonal Al‒Ni‒Rh
Acta Crystallographica Section B, 2014, 70, 732-742
2311717 CIF
Paper
Cu3.311 SiP -356.98; 56.98; 44.055
90; 90; 120
123871Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš
Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 767-774
2104375 CIF
HKL
Paper
Al12827.56 Cu1244.05 Ta9063F -4 3 m71.49; 71.49; 71.49
90; 90; 90
365373Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter
Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement
Acta Crystallographica Section B, 2009, 65, 308-317

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