Crystallography Open Database

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2101409 CIF
Paper
C64 H90 N12 O16 S2P 21 21 2120.94; 18.53; 18.8
90; 90; 90
7295Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.
Structures of quinoxaline antibiotics
Acta Crystallographica Section B, 1995, 51, 987-999
2105308 CIF
HKL
Paper
C46.5 H28 Cl D N4 S3P 1 21/c 115.3042; 10.0019; 47.6862
90; 91.7802; 90
7295.9Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes
Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9<i>H</i>-carbazole]: isostructurality, modularity and order‒disorder theory
Acta Crystallographica Section B, 2012, 68, 667-676
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
2103249 CIF
Paper
C42 H53 N3 O2P 1 21/n 19.807; 25.464; 29.842
90; 98.28; 90
7374.6Nassimbeni, Luigi R.; Su, Hong
Inclusion compounds of a diol host with xylidines: controlled stoichiometries
Acta Crystallographica Section B, 2002, 58, 251-259
2100328 CIF
Paper
Cl H4 Na9 O20 S4P 4/n :229.6829; 29.6829; 8.4018
90; 90; 90
7402.61Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan
Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules
Acta Crystallographica Section B, 2005, 61, 663-668
2103675 CIF
Paper
C63 H119.65 O37.13P 21 21 2114.636; 21.637; 23.45
90; 90; 90
7426Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.
Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
Acta Crystallographica Section B, 2001, 57, 399-409
2102198 CIF
Paper
C35 H66 O6I b a 257.368; 22.783; 5.6945
90; 90; 90
7442.8Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk
Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols
Acta Crystallographica Section B, 2000, 56, 1103-1111
2103881 CIF
HKL
Paper
C108 H112 N4 O94.72P 1 21 115.394; 31.995; 15.621
90; 103.738; 90
7474Giastas, 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
2103751 CIF
HKL
Paper
C14 H6 Cu F12 N2 O4I 41 c d18.3757; 18.3757; 22.137
90; 90; 90
7474.9Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 772-779
2104529 CIF
Paper
C63 H130 Co2 N16 O6C 1 2/c 113.562; 19.0518; 29.098
90; 92.625; 90
7510.5Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2102922 CIF
Paper
B2 H8 MgF d d d :137.072; 18.6476; 10.9123
90; 90; 90
7543.7Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao
Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~
Acta Crystallographica Section B, 2007, 63, 561-568
2104968 CIF
Paper
C84 H106 B2 Co2 N4 O10C 1 2/c 122.8118; 19.2667; 17.3077
90; 96.176; 90
7562.7Deutsch, Maxime; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Sakiyama, Hiroshi; Tone, Katsuya; Souhassou, Mohamed
<i>d</i>-Orbital orientation in a dimer cobalt complex: link to magnetic properties?
Acta Crystallographica Section B, 2011, 67, 324-332
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
2105987 CIF
HKL
Paper
Al46 Ru14P b m a23.4; 16.2; 20
90; 90; 90
7582Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin; Kolb, Ute; Meshi, Louisa
Atomic structure solution of the complex quasicrystal approximant Al~77~Rh~15~Ru~8~ from electron diffraction data
Acta Crystallographica Section B, 2014, 70, 999-1005
2103177 CIF
Paper
C62 H110 O36C 2 2 2115.571; 21.116; 23.187
90; 90; 89.95
7623.82Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Some 60 new space-group corrections
Acta Crystallographica Section B, 2002, 58, 62-77
2108574 CIF
HKL
Paper
Cd80.144 Cu17.218 Ir5.638F -4 3 m19.7041; 19.7041; 19.7041
90; 90; 90
7650.1Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2104238 CIF
HKL
Paper
C20 H56 N4 Ni2 O30P b c a15.352; 16.278; 30.716
90; 90; 90
7675.9Siegler, 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
2101308 CIF
Paper
C45 H86 Br10 In4 N4 Ni6 O11C 1 2/c 122.869; 13.198; 26.775
90; 107.96; 90
7687.58Marsh, R. E.; Bernal, I.
More space-group changes
Acta Crystallographica Section B, 1995, 51, 300-307
2107026 CIFH106 K8 Mo36 O165P 1 21/c 116.55; 18.81; 27.73
90; 116.82; 90
7703.89Krebs, B.; Paulat-Boeschen, I.
The Structure of the Potassium Isopolymolybdate K8 (Mo36 O112 (H2 O)16) (H2 O)N (n=36.?.40)
Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1710-1718
2103750 CIF
HKL
Paper
C14 H6 Cu F12 N2 O4I 41 c d18.586; 18.586; 22.345
90; 90; 90
7718.8Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 772-779
2102453 CIF
Paper
C96 H90 F2 N8 O8C 1 2/c 119.07; 17.916; 23.934
90; 108.96; 90
7733.59Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2108572 CIF
HKL
Paper
Cd81.199 Cu15.659 Ir5.873F -4 3 m19.785; 19.785; 19.785
90; 90; 90
7744.8Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2106131 CIFCd5.1 PtI -4 3 m19.8042; 19.8042; 19.8042
90; 90; 90
7767.33Arnberg, L.
The structures of the gamma-phases in the Pd-Cd and Pt-Cd systems
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 527-532
2108573 CIF
HKL
Paper
Cd81.64 Cu15.796 Ir5.306F -4 3 m19.8332; 19.8332; 19.8332
90; 90; 90
7801.5Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2103344 CIF
Paper
C7 H29 B11 N2P -327.171; 27.171; 12.225
90; 90; 120
7816.11Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2102479 CIF
Paper
C56 H122 N2 O51P 21 21 2115.0687; 17.6502; 29.4386
90; 90; 90
7829.65Llamas-Saiz, Antonio L.
Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-β-cyclodextrin
Acta Crystallographica Section B, 2004, 60, 204-210
2108617 CIF
HKL
Ga105.3 Mg69.48 Ni48F d -3 m :219.8621; 19.8621; 19.8621
90; 90; 90
7835.7Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut
New cubic cluster phases in the Mg‒Ni‒Ga system
Acta Crystallographica Section B, 2020, 76
2103753 CIF
HKL
Paper
C15 H8 Cu F12 N2 O4I 41/a :218.808; 18.808; 22.182
90; 90; 90
7846.7Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 772-779
2101713 CIF
Paper
C16 H15 Cl3 N2 O5 SF d d 210.632; 73.538; 10.097
90; 90; 90
7894.4Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2108571 CIF
HKL
Paper
Cd86.366 Cu7.584 Ir6.698F -4 3 m19.922; 19.922; 19.922
90; 90; 90
7907Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2108570 CIF
HKL
Paper
Cd86.45 Cu7.147 Ir7.318F -4 3 m19.9445; 19.9445; 19.9445
90; 90; 90
7933.6Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim
Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system
Acta Crystallographica Section B, 2020, 76
2101720 CIF
Paper
C24 H33 Cl3 Ir P3R 3 c :H14.924; 14.924; 41.145
90; 90; 120
7936.3Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2101757 CIF
Paper
C32 H48 I2 Na2 O14F d d 216.153; 43.501; 11.429
90; 90; 90
8030.83Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2107149 CIFMg340.04 Pd55.84F -4 3 m20.108; 20.108; 20.108
90; 90; 90
8130.3Samson, S.
Complex cubic A6 B compounds. II. The crystal structure of Mg6 Pd
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 936-945
2101436 CIF
Paper
Bi2 Ca Cu2 O8 Sr2C 1 c 137.754; 5.4109; 41.07
90; 103.58; 90
8155Gladyshevskii, R. E.; Flükiger, R.
Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry
Acta Crystallographica Section B, 1996, 52, 38-53
2106684 CIFBi2.09 Ca Cu2 O8.22 Sr1.9C 1 c 137.754; 5.4109; 41.07
90; 103.58; 90
8155.35Gladyshevskii, R.E.; Fluekiger, R.
Modulated structure of Bi2 Sr2 ca Cu2 O8+d, a high-Tc superconductor with monoclinc symmetry
Acta Crystallographica B (39,1983-), 1996, 52, 38-53
2105806 CIF
Paper
Fe13 Zn126P 63/m m c12.8297; 12.8297; 57.286
90; 90; 120
8166.1Okamoto, Norihiko L.; Tanaka, Katsushi; Yasuhara, Akira; Inui, Haruyuki
Structure refinement of the δ~1<i>p~</i> phase in the Fe‒Zn system by single-crystal X-ray diffraction combined with scanning transmission electron microscopy
Acta Crystallographica Section B, 2014, 70, 275-282
2109045 CIF
HKL
Paper
C23 H30 N2 SeP b c a17.4279; 15.2522; 31.0253
90; 90; 90
8247Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.
Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors
Acta Crystallographica Section B, 2022, 78
2102364 CIF
Paper
C93 H98 N8 O11C 1 2/c 119.589; 18.167; 24.55
90; 109.07; 90
8257.22Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2100208 CIF
Paper
C141.5 H238 Cl2 O80P 1 21 110.926; 25.284; 29.954
90; 92.86; 90
8265Tsorteki, 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
2103676 CIF
Paper
C72 H129.14 O37.57P 21 21 2110.936; 25.53; 29.64
90; 90; 90
8275Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.
Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
Acta Crystallographica Section B, 2001, 57, 399-409
2103752 CIF
HKL
Paper
C15 H8 Cu F12 N2 O4I 41/a :219.253; 19.253; 22.38
90; 90; 90
8296Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 772-779
2101737 CIF
Paper
C63 H45 Br3 Ni2R 3 c :H15.348; 15.348; 40.703
90; 90; 120
8303.49Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2023289 CIF
HKL
Mn13 Zn126.044P 63/m m c12.9051; 12.9051; 57.6398
90; 90; 120
8313.3Mondal, Amit; Pan, Rahul; Kuila, Sandip Kumar; Dey, Riju; Jana, Partha Pratim
Synthesis and structural study of the partially disordered complex hexagonal phase δ<sub>1</sub>-MnZn<sub>9.7</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 688-694
2003173 CIF
Paper
Ca7 O36 Ta6 Zr7F d d d :236.394; 7.3674; 31.006
90; 90; 90
8313.6Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji
The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data
Acta Crystallographica Section B, 1999, 55, 313-320
2023290 CIF
HKL
Mn13 Zn126.103P 63/m m c12.9085; 12.9085; 57.6528
90; 90; 120
8319.6Mondal, Amit; Pan, Rahul; Kuila, Sandip Kumar; Dey, Riju; Jana, Partha Pratim
Synthesis and structural study of the partially disordered complex hexagonal phase δ<sub>1</sub>-MnZn<sub>9.7</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 688-694
2108590 CIF
HKL
Paper
C25 H44 Cl N O10P 21 21 2116.3296; 16.3759; 31.1186
90; 90; 90
8321.5Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng
Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form
Acta Crystallographica Section B, 2020, 76
2107961 CIF
HKL
C42 H76 Br2 O2C 1 2/c 1110.75; 8.2292; 9.1539
90; 92.268; 90
8336.2Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D.
Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes
Acta Crystallographica Section B, 2016, 72, 693-701
2104484 CIF
Paper
C34 H55 F12 N6 P2 RhC 1 2/c 133.544; 10.027; 28.873
90; 120.2; 90
8393Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2102359 CIF
Paper
C43 H46.5 Mo N1.5 O S4C 1 2/c 144.188; 9.8658; 19.6725
90; 99.03; 90
8469.93Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2102404 CIF
Paper
C11 H32 B10 Br PF d d 229.014; 24.945; 11.7128
90; 90; 90
8477.19Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2102521 CIF
Paper
C60 H120 Fe6 N12 O24C c c a :220.939; 25.243; 16.048
90; 90; 90
8482.4Prof. Clemente Dore Augusto; Prof. Marzotto Armando
30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
Acta Crystallographica Section B, 2004, 60, 287-292
2102376 CIF
Paper
C80 H74 Cl2 N20 O13 Zn3C 1 2/c 127.5597; 18.4326; 20.1604
90; 123.95; 90
8495.52Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2103828 CIF
Paper
C62 H104 Cl2 Co Li2 N14 O24 PP 21 21 2115.387; 22.673; 24.381
90; 90; 90
8506Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni
Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins
Acta Crystallographica Section B, 2003, 59, 51-59
2105763 CIF
Paper
C30 H28 N6 Ni O8 S2P 1 21/n 111.8991; 51.4066; 14.1366
90; 99.498; 90
8528.7Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.
Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes
Acta Crystallographica Section B, 2014, 70, 115-125
2103384 CIF
Paper
C50 H46 N5 O21 P4 PrP 32 2 115.71; 15.71; 40.067
90; 90; 120
8563.87Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2311668 CIFC36 H42 Eu N7 O15 P2P 1 21/n 114.8395; 15.8178; 36.7471
90; 96.168; 90
8575.6Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh
Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185
2104482 CIF
Paper
C34 H52 Cl F3 N7 O4 Ru SC 1 2/c 122.457; 23.066; 16.692
90; 95.99; 90
8599Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2102387 CIF
Paper
C26 H18 Fe N2 S2F d d 242.084; 20.589; 9.925
90; 90; 90
8599.69Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2103784 CIF
Paper
C24 N14 Ni O24.5 P2C 2 2 2117.462; 17.337; 28.417
90; 90; 90
8602.9Clemente, Dore Augusto; Marzotto, Armando
22 Space-group changes
Acta Crystallographica Section B, 2003, 59, 43-50
2105760 CIF
HKL
Paper
C26 H38 N2 O10P 1 21/n 110.3947; 17.5546; 47.27
90; 91.321; 90
8623.3Boardman, Nicole D.; Munshi, Tasnim; Scowen, Ian J.; Seaton, Colin C.
Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid
Acta Crystallographica Section B, 2014, 70, 132-140
2104531 CIF
Paper
C83 H79 Cl9 N8 O22C 1 2/c 127.126; 10.8438; 30.455
90; 105.053; 90
8650.9Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2311667 CIF
Paper
C36 H42 Ce N7 O15 P2P 1 21/n 114.8817; 15.9332; 36.7289
90; 96.133; 90
8659.1Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh
Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 176-185
2103797 CIF
Paper
C47 H63 N O6 SiI 1 2/a 133.99; 9.5179; 29.467
90; 114.65; 90
8664Clemente, Dore Augusto; Marzotto, Armando
22 Space-group changes
Acta Crystallographica Section B, 2003, 59, 43-50
2100293 CIF
HKL
Paper
C10 H24 Cu N2 O13P 1 21/n 114.659; 14.029; 42.475
90; 96.85; 90
8673Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2103073 CIF
Paper
C28 H23 N3 OP 1 21/c 118.0854; 21.2296; 23.8007
90; 108.258; 90
8678.1Portilla, Jaime; Quiroga, Jairo; Nogueras, Manuel; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher
Structural comparisons of isomeric series of 7-aryl-benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinolines and 11-aryl-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines
Acta Crystallographica Section B, 2008, 64, 72-83
2104526 CIF
Paper
C88 H118 N4 O24C 1 2/c 119.514; 16.3891; 27.727
90; 101.243; 90
8697.4Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2103829 CIF
HKL
Paper
C62 H101.4 Cl Co N14 Na O22.7 PP 21 21 2115.912; 22.18; 24.725
90; 90; 90
8726Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni
Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins
Acta Crystallographica Section B, 2003, 59, 51-59
2101798 CIF
Paper
C16 H23 Ni P S4 WF d d 217.47; 25.519; 19.9
90; 90; 90
8872Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2103831 CIF
Paper
C66 H116 Co N14 O26 P SeP 21 21 2115.66; 22.7; 24.96
90; 90; 90
8873Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni
Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins
Acta Crystallographica Section B, 2003, 59, 51-59
2100292 CIF
HKL
Paper
C10 H24 Cu N2 O13P 1 21/n 114.772; 13.987; 43.344
90; 97.33; 90
8882Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2103830 CIF
Paper
C68.1 H116.2 Co N14 O24.7 P SP 21 21 2115.683; 22.61; 25.1
90; 90; 90
8900Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni
Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins
Acta Crystallographica Section B, 2003, 59, 51-59
2103403 CIF
Paper
C68 H56 Ag Cl N4 O4 P4R -3 :H14.138; 14.138; 51.536
90; 90; 120
8921.08Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2101714 CIF
Paper
C36 H46 F12 N6 Ni O2 P2F d d 220.074; 42.388; 10.497
90; 90; 90
8931.86Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2106086 CIFOs7 Sc44F -4 3 m20.771; 20.771; 20.771
90; 90; 90
8961.33Chabot, B.; Parthe, E.; Cenzual, K.
Sc44 Os7 and Sc44 Ir7 with the Mg44 Rh7 structure type
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2202-2205
2102567 CIF
Paper
C38 H46 O21 S2P 21 21 2118.1484; 21.1046; 23.4224
90; 90; 90
8971.1Baddeley, 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
2108852 CIF
HKL
Paper
C6 H3 Br3F d d 229.313; 78.645; 3.932
90; 90; 90
9064.5Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2109064 CIF
HKL
Paper
C87 H90 F9 I9 N6 S3P 1 21/c 139.226; 7.9811; 30.341
90; 106.162; 90
9123.3Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.
Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors
Acta Crystallographica Section B, 2022, 78
2108747 CIF
HKL
Paper
C60 H72 Co2 Mo12 N12 O51P 1 21/n 111.151; 21.972; 37.57
90; 97.218; 90
9132Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel
Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates
Acta Crystallographica Section B, 2021, 77, 99-114
2108851 CIF
HKL
Paper
C6 H3 Br3F d d 229.383; 79.163; 3.9713
90; 90; 90
9237.4Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108850 CIF
HKL
Paper
C6 H3 Br3F d d 229.408; 79.439; 3.9865
90; 90; 90
9313Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2101784 CIF
Paper
C24 H36 Ir2 SF d d 214.132; 75.251; 8.828
90; 90; 90
9388Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
9011312 CIFAg29.629 Cu2.371 S22 Sb4C 1 2/c 126.188; 15.1199; 23.784
90; 90; 90
9417.51Evain, M.; Bindi, L.; Menchetti, S.
Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 100 K Sample: polytype 222
Acta Crystallographica, Section B, 2006, 62, 447-456
2100485 CIF
Paper
Ag14.814 Cu1.186 S11 Sb2C 1 2/c 126.188; 15.1199; 23.784
90; 90; 90
9418M. Evain; L. Bindi; S. Menchetti
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 447-456
2002986 CIF
HKL
Paper
C51 H52 Cl N O13P 21 21 2123.048; 34.383; 11.992
90; 90; 90
9503Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N.
Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i>
Acta Crystallographica Section B, 1999, 55, 432-440
2105592 CIF
Paper
C27 H36 N2 O5P 1 21 113.706; 22.8; 30.674
90; 97.15; 90
9511Antolić, S.; Teichert, M.; Sheldrick, G.; Kojić-Prodić, B.; Čudić, M.; Horvat, Š.
Structure and molecular modelling of protected dipeptide fragment (Boc‒Phe‒Leu‒OBzl) of enkephalin
Acta Crystallographica Section B, 1999, 55, 975-984
2102522 CIF
Paper
C120 H104 P4 PdC 2 2 2129.327; 16.743; 19.458
90; 90; 90
9554Prof. Clemente Dore Augusto; Prof. Marzotto Armando
30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
Acta Crystallographica Section B, 2004, 60, 287-292
2102340 CIF
Paper
C28 H32 N2 O3F d d 233.205; 34.327; 8.442
90; 90; 90
9622.43Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2102429 CIF
Paper
C28 H26 O3 S SiF d d 29.303; 67.316; 15.607
90; 90; 90
9773.74Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2101746 CIF
Paper
C54 H38 O6 P2 PtC 1 2/c 122.08; 14.47; 30.72
90; 95.1; 90
9776Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2102199 CIF
Paper
C47 H90 O6I b a 276.21; 22.63; 5.673
90; 90; 90
9784Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk
Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols
Acta Crystallographica Section B, 2000, 56, 1103-1111
2105972 CIFC60 H82.82 Cl8 N38 O43.41 Rh4P b c a20.289; 21.524; 22.45
90; 90; 90
9804Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2312373 CIF
HKL
C27 H28 N2 O7F d d 215.0989; 59.567; 10.954
90; 90; 90
9852Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2101760 CIF
Paper
C44 H80 Si5C 1 2/c 132.228; 16.373; 20.689
90; 114.49; 90
9935Marsh, R. E.
The perils of <i>Cc</i> revisited
Acta Crystallographica Section B, 1997, 53, 317-322
2100139 CIF
Paper
C8 H16 N4P 1 21/c 120.247; 18.212; 27.665
90; 102.94; 90
9942.1Hao, Xiang; Chen, Jing; Cammers, Arthur; Parkin, Sean; Brock, Carolyn Pratt
A helical structure with <i>Z</i>' = 10
Acta Crystallographica Section B, 2005, 61, 218-226
2104680 CIF
Paper
C74 H48 Ag2 F12 N2 P4 S2P 1 21/c 118.5885; 14.0668; 38.275
90; 96.551; 90
9942.8Omondi, Bernard; Meijboom, Reinout
Concomitant polymorphic behavior of di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis[bis(tri-<i>p</i>-fluorophenylphosphine-κ<i>P</i>)silver(I)]
Acta Crystallographica Section B, 2010, 66, 69-75
2105971 CIFC60 H85.4 Cl6 F6 N38 O36.7 Rh4 SiP b c a20.17; 21.875; 22.541
90; 90; 90
9946Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2102363 CIF
Paper
C60 H60 O2 P2 PdC 1 2/c 120.115; 11.652; 42.481
90; 92.08; 90
9950.14Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2105249 CIF
HKL
Paper
Ag1.86 As7.06 Bi0.1 Cu1.73 Hg0.24 Pb19.13 S56 Sb16.47 Tl0.24P 1 21/n 18.1891; 28.5294; 42.98
90; 94.896; 90
10005Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian
Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~
Acta Crystallographica Section B, 2012, 68, 480-492
2311716 CIF
Paper
Cu3.313 SiP -3 1 c16.2448; 16.2448; 44.017
90; 90; 120
10059.6Corrêa, 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
2105951 CIF
HKL
Paper
C64.09 H68.18 Cd3 Cl8.18 Fe2 I6 N6 O12C 1 2/c 132.186; 13.7863; 27.721
90; 125.118; 90
10061.4Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105952 CIF
HKL
Paper
C64.09 H68.18 Cd3 Cl8.18 Fe2 I6 N6 O12C 1 2/c 132.186; 13.7863; 27.721
90; 125.118; 90
10061.4Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2311799 CIFC69 H86 Al2 Cl2 Hg3 I6 N6 O23.18C 1 2/c 132.1651; 13.8294; 27.6145
90; 124.917; 90
10072.3Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2103255 CIF
HKL
Paper
C27 H46 OP 127.565; 38.624; 10.748
93.49; 90.9; 117.15
10151Hsu, Leh-Yeh; Kampf, Jeff W.; Nordman, Christer E.
Structure and pseudosymmetry of cholesterol at 310K
Acta Crystallographica Section B, 2002, 58, 260-264
2105250 CIF
HKL
Paper
Ag4 As10.23 Pb20.21 S58 Sb13.56P 1 21/c 18.3965; 27.954; 43.884
90; 90.061; 90
10300Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian
Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~
Acta Crystallographica Section B, 2012, 68, 480-492
2105254 CIF
HKL
Paper
C36 H42.35 Gd2 N7 O24.67C 1 2/c 124.9427; 16.9411; 25.2889
90; 105.208; 90
10311.8Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L.
Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate
Acta Crystallographica Section B, 2012, 68, 528-535
2312717 CIF
HKL
Paper
C54 H54 N2 Na2 O18P -4 21 c17.1314; 17.1314; 35.164
90; 90; 90
10320.1Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
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
2107341 CIFCl17 Co4 Cu5 H72 N24F d -3 :221.8; 21.8; 21.8
90; 90; 90
10360.2Murray-Rust, P.
The Crystal Structure of (Co (N H3)6)4 Cu5 Cl17: A Twinned Cubic Crystal
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2559-2566
2102462 CIF
Paper
C28 H36 Fe2 O3F d d 216.698; 64.74; 9.592
90; 90; 90
10369.2Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2106714 CIFCl5 Co Cu H18 N6F d -3 c :221.81; 21.81; 21.81
90; 90; 90
10374.5Murray-Rust, P.
X-ray crystallographic investigation of the mixed-valence hexaamminocobalt(iii) chlorocuprates(i, ii).
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 978-981
2107480 CIF
Paper
C23 H41 Fe N3 O2 P2P 1 1 21/b31.781; 18.012; 18.262
90; 90; 90.004
10454Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory
Acta Crystallographica Section B, 2015, 71, 524-534
2101407 CIF
Paper
C60.5 H86 N10 O17 S2P 6522.196; 22.196; 24.64
90; 90; 120
10513Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.
Structures of quinoxaline antibiotics
Acta Crystallographica Section B, 1995, 51, 987-999
2107483 CIF
HKL
Paper
C46.111 H40.444 F12 N8 O1.333 P2 RuP 118.3127; 21.3286; 29.264
81.874; 89.211; 69.108
10563.1Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt
An exceptional 5:4 enantiomeric structure
Acta Crystallographica Section B, 2016, 72, 223-231
2102439 CIF
Paper
C38 H60 Ag2 F12 N12 O6 P2F d d 232.668; 23.772; 13.688
90; 90; 90
10629.9Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2104068 CIF
Paper
C53 H102 O6I 1 2 122.2531; 5.6339; 85.263
90; 90.797; 90
10688.5van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2104302 CIF
Paper
C63 H63 Ag I P3C 1 2/c 122.745; 11.01; 44.797
90; 103.007; 90
10930Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout
Polymorphism in iodotris(tri-<i>p</i>-tolylphosphine)silver(I)
Acta Crystallographica Section B, 2009, 65, 182-188
2104067 CIF
Paper
C53 H100 O6I 1 2 122.7149; 5.65579; 85.11
90; 90.204; 90
10934.1van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2105772 CIF
Paper
C26 H9 Ag11 Br2 F27 N O21P b c a16.861; 24.431; 26.723
90; 90; 90
11008Hau, 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
2104070 CIF
Paper
C53 H102 O6I 1 2 122.7505; 5.6498; 86.746
90; 93.968; 90
11123.2van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2102309 CIF
Paper
C34 H32 O2 SnF d d 29.692; 67.57; 17.028
90; 90; 90
11151.4Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2104069 CIF
Paper
C53 H100 O6I 1 2 122.988; 5.6407; 86.265
90; 93.523; 90
11164.7van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2108031 CIF
HKL
Paper
C22 H24 Br F3 I3 NC 1 2/c 131.434; 14.8275; 26.724
90; 116.034; 90
11192Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2100373 CIF
Paper
Al596 Cr156P 63/m m c32.3; 32.3; 12.4
90; 90; 120
11203.6Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H.
Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach
Acta Crystallographica Section B, 2006, 62, 16-25
2108033 CIF
HKL
Paper
C88 H40 Br2 F12 I12 P2P a -322.3941; 22.3941; 22.3941
90; 90; 90
11230.5Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
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
2104071 CIF
Paper
C55 H106 O6C 1 2/c 122.6508; 5.6532; 89.462
90; 90.012; 90
11455.6van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk
Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability
Acta Crystallographica Section B, 2008, 64, 249-259
2102369 CIF
Paper
C106 H64 Cl4 N2 O30 P4 Pd2 Ru12C 1 2/c 138.271; 9.973; 36.093
90; 123.59; 90
11475.5Marsh, Richard E.
Space group <i>Cc</i>: an update
Acta Crystallographica Section B, 2004, 60, 252-253
2101462 CIF
Paper
C29 H33 Co N5 O4 PP b c a59.684; 14.909; 12.956
90; 90; 90
11529Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.
Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates
Acta Crystallographica Section B, 1996, 52, 303-313
2104493 CIF
Paper
C51 H54 Cl N7 O11C 1 2/c 135.941; 13.913; 25.759
90; 116.022; 90
11575Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104497 CIF
Paper
C90 H172 Li4 N O24 Si16 YbC 1 2/c 127.1505; 15.5354; 30.0056
90; 111.077; 90
11809.5Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
9011202 CIFBi54 Pb46 S127P 1 21/m 1189.8; 4.09; 74.06
90; 11.93; 90
11884.4Matzat, E.
Cannizzarite Locality: Vulcano, Italy
Acta Crystallographica, Section B, 1979, 35, 133-136
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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