Crystallography Open Database

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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'

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2104952 CIF
Paper
Rb2 SP n m a8.167; 5.101; 9.957
90; 90; 90
414.8Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin
High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions
Acta Crystallographica Section B, 2011, 67, 109-115
2104953 CIF
HKL
Paper
C28 H16 O2P 1 21/n 110.186; 8.4277; 11.6457
90; 109.591; 90
941.85Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104954 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.9825; 7.8892; 11.4879
90; 109.78; 90
851.3Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104955 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.9021; 7.6543; 11.4225
90; 109.86; 90
814.3Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104956 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.8354; 7.4567; 11.3543
90; 109.939; 90
782.8Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104957 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7854; 7.2988; 11.3074
90; 110.028; 90
758.75Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104958 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7527; 7.2058; 11.2786
90; 110.132; 90
744.19Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104959 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7286; 7.1123; 11.2468
90; 110.186; 90
730.4Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104960 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7119; 7.041; 11.2282
90; 110.229; 90
720.4Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon
The effect of pressure on the crystal structure of bianthrone
Acta Crystallographica Section B, 2011, 67, 226-237
2104961 CIF
HKL
Paper
C18 H8 Br4 O2 S8P 1 21/n 110.3653; 11.7998; 11.0749
90; 110.217; 90
1271.1García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude
Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA
Acta Crystallographica Section B, 2011, 67, 244-249
2104962 CIF
HKL
Paper
C18 H8 Br4 O2 S8P 1 21/n 110.2781; 11.5982; 11.0418
90; 110.434; 90
1233.44García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude
Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA
Acta Crystallographica Section B, 2011, 67, 244-249
2104963 CIF
HKL
Paper
C18 H8 Br4 O2 S8P 1 21/n 110.2507; 11.5276; 10.9799
90; 110.446; 90
1215.71García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude
Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA
Acta Crystallographica Section B, 2011, 67, 244-249
2104964 CIF
Paper
Na O3 Ti1.25C 1 2/m 121.555; 3.7583; 11.926
90; 136.14; 90
669.4Andrusenko, Iryna; Mugnaioli, Enrico; Gorelik, Tatiana E.; Koll, Dominik; Panthöfer, Martin; Tremel, Wolfgang; Kolb, Ute
Structure analysis of titanate nanorods by automated electron diffraction tomography
Acta Crystallographica Section B, 2011, 67, 218-225
2104965 CIF
HKL
Paper
Al14 Ca12 O33I -4 3 d11.989; 11.989; 11.989
90; 90; 90
1723.3Sakakura, Terutoshi; Tanaka, Kiyoaki; Takenaka, Yasuyuki; Matsuishi, Satoru; Hosono, Hideo; Kishimoto, Shunji
Determination of the local structure of a cage with an oxygen ion in Ca~12~Al~14~O~33~
Acta Crystallographica Section B, 2011, 67, 193-204
2104966 CIF
HKL
Paper
C8 H8 N2 O2P -15.7913; 8.2458; 8.9223
116.823; 104.589; 91.602
362.99Zarychta, Bartosz; Zaleski, Jacek; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Jelsch, Christian
Charge-density analysis of 1-nitroindoline: refinement quality using free <i>R</i> factors and restraints
Acta Crystallographica Section B, 2011, 67, 250-262
2104967 CIF
HKL
Paper
C15 H24 N3 O3 PP 1 21/n 19.517; 10.723; 32.993
90; 96.029; 90
3348.3Gholivand, Khodayar; Mahzouni, Hamid Reza
Solid-state and gas-phase structures of two conformers of <i>N</i>-(4-methylphenyl)-<i>N</i>',<i>N</i>''-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations
Acta Crystallographica Section B, 2011, 67, 238-243
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
2104969 CIF
HKL
Paper
C20 H30 N2 O4 Sn2P b c a13.0745; 12.9669; 13.6824
90; 90; 90
2319.66Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu.
Bis(μ^2^-2-(dimethylamino)ethoxo-<i>N</i>,<i>O</i>,<i>O</i>)-di(phenolato-<i>O</i>)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study
Acta Crystallographica Section B, 2011, 67, 315-323
2104970 CIF
HKL
Paper
C10 H10 N4 O2P 1 21/c 111.0299; 10.0921; 18.6365
90; 97.238; 90
2057.99Paul, Agnieszka; Kubicki, Maciej; Jelsch, Christian; Durand, Pierrick; Lecomte, Claude
<i>R</i>-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with <i>Z</i>' = 2
Acta Crystallographica Section B, 2011, 67, 365-378
2104971 CIF
HKL
Paper
C3 H5 Cl O SP 1 21/c 19.4763; 5.8288; 11.0764
90; 112.853; 90
563.79Rodríguez Pirani, Lucas; Erben, Mauricio F.; Boese, Roland; Pozzi, C. Gustavo; Fantoni, Adolfo C.; Della Védova, Carlos O.
Conformational preference of chlorothioformate species: molecular structure of ethyl chlorothioformate, ClC(O)SCH~2~CH~3~, in the solid phase and NBO analysis
Acta Crystallographica Section B, 2011, 67, 350-356
2104972 CIF
HKL
Paper
Ca H1.25 O4.625 SeP 32 2 114.1681; 14.1681; 13.4241
90; 90; 120
2333.67Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang
CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure
Acta Crystallographica Section B, 2011, 67, 293-301
2104973 CIF
Paper
Ca H1.25 O4.625 SeP 32 2 114.1035; 14.1035; 13.3622
90; 90; 120
2301.8Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang
CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure
Acta Crystallographica Section B, 2011, 67, 293-301
2104974 CIF
HKL
Paper
C7 H4 Cl2 OP 1 21/c 13.7888; 13.7784; 13.0368
90; 90.979; 90
680.47Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104975 CIF
HKL
Paper
C7 H4 Cl2 OP -13.815; 7.829; 17.895
89.091; 85.728; 81.115
526.6Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104976 CIF
HKL
Paper
C7 H4 Cl2 OP 1 21 13.8094; 14.8887; 6.2014
90; 91.849; 90
351.54Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104977 CIF
HKL
Paper
C7 H4 Cl2 OP 1 21/n 13.7785; 31.353; 12.058
90; 91.546; 90
1428Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104978 CIF
Paper
C6 H4 S2 Tl2P -16.5525; 6.8444; 9.5265
71.798; 85.988; 89.219
404.86Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W.
Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction
Acta Crystallographica Section B, 2011, 67, 409-415
2104979 CIF
Paper
C6 H4 Se2 Tl2P -16.67438; 6.84998; 9.82649
72.513; 84.79; 88.659
426.725Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W.
Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction
Acta Crystallographica Section B, 2011, 67, 409-415
2104980 CIF
HKL
Paper
C2 H8 Ca O6 P2C 1 2/c 120.403; 5.601; 7.274
90; 108.48; 90
788.4Mermer, Adrian; Starynowicz, Przemysław
Charge-density distribution in hydrogen methylphosphonates of calcium and lithium
Acta Crystallographica Section B, 2011, 67, 399-408
2104981 CIF
HKL
Paper
C H4 Li O3 PP 1 21/c 19.267; 4.604; 9.384
90; 96.12; 90
398.1Mermer, Adrian; Starynowicz, Przemysław
Charge-density distribution in hydrogen methylphosphonates of calcium and lithium
Acta Crystallographica Section B, 2011, 67, 399-408
2104982 CIF
Paper
C46 H44 F10 O4 Ta2P -19.239; 11.647; 11.803
117.25; 96.37; 106.63
1037.3Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.
Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104983 CIF
HKL
Paper
C24 H46 N TaP 1 21/c 19.083; 16.216; 16.872
90; 99.76; 90
2449.1Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.
Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104984 CIF
HKL
Paper
C34 H15 F20 O4 TaP b c m8.341; 26.389; 15.145
90; 90; 90
3333.6Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.
Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104985 CIF
HKL
Paper
C51 H38 F20 O6 Ta2P 1 21/n 112.793; 15.242; 25.708
90; 100.178; 90
4933.9Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.
Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104986 CIF
HKL
Paper
C13 H14 N2 O3P 1 21/c 17.061; 24.489; 13.93
90; 103.481; 90
2342Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia
Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473
Acta Crystallographica Section B, 2011, 67, 560-568
2104987 CIF
HKL
Paper
C15 H15 F3 N2 O2P 1 21/c 18.9941; 11.2954; 14.3536
90; 102.537; 90
1423.44Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia
Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473
Acta Crystallographica Section B, 2011, 67, 560-568
2104988 CIF
HKL
Paper
C17 H19 F3 N2 OP 1 21/c 112.1853; 12.2242; 10.6361
90; 93.4529; 90
1581.43Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia
Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473
Acta Crystallographica Section B, 2011, 67, 560-568
2104989 CIF
HKL
Paper
Al F6 H12 N3F m -3 m8.9378; 8.9378; 8.9378
90; 90; 90
713.99Udovenko, Anatoly A.; Laptash, Natalia M.
Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~
Acta Crystallographica Section B, 2011, 67, 447-454
2104990 CIF
HKL
Paper
F5 H12 N3 O TiF m -3 m9.1144; 9.1144; 9.1144
90; 90; 90
757.15Udovenko, Anatoly A.; Laptash, Natalia M.
Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~
Acta Crystallographica Section B, 2011, 67, 447-454
2104991 CIF
HKL
Paper
F5 K O Rb2 TiF m -3 m8.9002; 8.9002; 8.9002
90; 90; 90
705.017Udovenko, Anatoly A.; Laptash, Natalia M.
Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~
Acta Crystallographica Section B, 2011, 67, 447-454
2104992 CIF
Paper
F5 K O Rb2 TiF m -3 m8.8879; 8.8879; 8.8879
90; 90; 90
702.1Udovenko, Anatoly A.; Laptash, Natalia M.
Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~
Acta Crystallographica Section B, 2011, 67, 447-454
2104993 CIF
HKL
Paper
C5.38 H5.38 O24 Si12P n m a19.92; 19.88; 13.386
90; 90; 90
5301Kamiya, Natsumi; Iwama, Wataru; Kudo, Tomokazu; Nasuno, Tomomi; Fujiyama, Shinjiro; Nishi, Koji; Yokomori, Yoshinobu
Determining the structure of a benzene7.2-silicalite-1 zeolite using a single-crystal X-ray method
Acta Crystallographica Section B, 2011, 67, 508-515
2104994 CIF
HKL
Paper
C10 H36 N2 Ni O19I 1 2/m 112.37; 12.57; 8.114
90; 101.48; 90
1236.4Siegler, 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
2104995 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.303; 12.543; 8.049
90; 100.65; 90
1220.7Siegler, 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
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
2104998 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.943; 12.693; 15.982
90; 101.56; 90
2373.6Siegler, 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
2104999 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.955; 12.692; 15.988
90; 101.55; 90
2376.8Siegler, 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
2105000 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.967; 12.69; 15.993
90; 101.55; 90
2379.5Siegler, 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
2105001 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.981; 12.688; 15.999
90; 101.54; 90
2382.9Siegler, 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
2105002 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.995; 12.685; 16.005
90; 101.52; 90
2386.2Siegler, 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
2105003 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.008; 12.681; 16.01
90; 101.5; 90
2389Siegler, 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
2105004 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.024; 12.678; 16.016
90; 101.47; 90
2392.7Siegler, 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
2105005 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.041; 12.673; 16.022
90; 101.44; 90
2396.3Siegler, 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
2105006 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.059; 12.668; 16.028
90; 101.4; 90
2400.2Siegler, 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
2105007 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.079; 12.661; 16.034
90; 101.36; 90
2404.1Siegler, 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
2105008 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.1; 12.652; 16.04
90; 101.3; 90
2407.9Siegler, 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
2105009 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.112; 12.647; 16.043
90; 101.27; 90
2410.1Siegler, 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
2105010 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.124; 12.641; 16.047
90; 101.23; 90
2412.3Siegler, 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
2105011 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.137; 12.635; 16.05
90; 101.19; 90
2414.5Siegler, 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
2105012 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.297; 12.539; 8.047
90; 100.66; 90
1219.4Siegler, 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
2105013 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.319; 12.54; 8.062
90; 100.8; 90
1223.4Siegler, 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
2105014 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.295; 12.542; 8.046
90; 100.63; 90
1219.4Siegler, 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
2105015 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.319; 12.545; 8.057
90; 100.76; 90
1223.3Siegler, 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
2105016 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.336; 12.548; 8.068
90; 100.9; 90
1226.3Siegler, 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
2105017 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.349; 12.549; 8.082
90; 101.05; 90
1229.2Siegler, 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
2105018 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.35; 12.554; 8.093
90; 101.2; 90
1230.9Siegler, 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
2105019 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.362; 12.557; 8.102
90; 101.36; 90
1233Siegler, 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
2105020 CIF
HKL
Paper
C10 H36 N2 Ni O19I 1 2/m 112.37; 12.57; 8.114
90; 101.48; 90
1236.4Siegler, 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
2105021 CIF
HKL
Paper
C10 H36 N2 Ni O19I 1 2/m 112.379; 12.558; 8.12
90; 101.68; 90
1236.2Siegler, 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
2105022 CIF
HKL
Paper
C6 H10 O4P 1 21/c 111.581; 4.2812; 15.282
90; 104.938; 90
732.1Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105023 CIF
HKL
Paper
C6 H10 O4P 1 21/c 111.734; 4.3096; 15.276
90; 105.525; 90
744.3Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105024 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.9101; 11.907; 6.221
90; 103.1; 90
282.1Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105025 CIF
Paper
C4 H6 O4P 1 21/n 13.873; 11.875; 6.205
90; 103.37; 90
277.6Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105026 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.851; 11.84; 6.227
90; 104.31; 90
275.1Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105027 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.8083; 11.742; 6.1664
90; 104.06; 90
267.48Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105028 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.7844; 11.751; 6.1753
90; 104.59; 90
265.76Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105029 CIF
HKL
Paper
C8 H14 O4P 1 21/c 14.3575; 9.949; 11.384
90; 92.483; 90
493.1Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105030 CIF
HKL
Paper
C8 H14 O4P 1 21/c 14.2679; 9.947; 11.272
90; 92.444; 90
478.1Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105031 CIF
HKL
Paper
C10 H18 O4P -14.593; 4.702; 14.03
95.896; 97.964; 96.656
295.9Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105032 CIF
HKL
Paper
C10 H18 O4P -14.36; 4.611; 13.954
81.486; 81.175; 81.044
271.6Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105033 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.197; 10.778; 11.454
90; 119.23; 90
1206.3Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105034 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.183; 10.752; 11.405
90; 118.95; 90
1200Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105035 CIF
Paper
C10 H18 O4P 1 21/c 111.163; 10.72; 11.359
90; 118.75; 90
1191.7Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105036 CIF
Paper
C10 H18 O4P 1 21/c 111.138; 10.686; 11.324
90; 118.61; 90
1183.2Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105037 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.12; 10.65; 11.277
90; 118.35; 90
1175.3Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105038 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.1; 10.635; 11.243
90; 118.22; 90
1169.5Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105039 CIF
HKL
Paper
C5 H8 O4P 1 21/c 116.317; 4.461; 9.254
90; 95.045; 90
671Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105040 CIF
HKL
Paper
C5 H8 O4P 1 21/c 116.321; 4.425; 9.127
90; 95.092; 90
656.6Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R.
Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding
Acta Crystallographica Section B, 2011, 67, 525-534
2105041 CIF
Paper
Ca H1.25 O4.625 SP 32 2 113.869; 13.869; 12.7189
90; 90; 120
2118.7Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang
Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O
Acta Crystallographica Section B, 2011, 67, 467-475
2105042 CIF
Paper
Ca H O4.5 SC 1 2 117.518; 6.9291; 12.0344
90; 133.655; 90
1056.89Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang
Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O
Acta Crystallographica Section B, 2011, 67, 467-475
2105043 CIF
Paper
C14 H11 N O2P b c a11.827; 7.875; 23.504
90; 90; 90
2189.1Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter
Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions
Acta Crystallographica Section B, 2011, 67, 569-581
2105044 CIF
HKL
Paper
C13 H10 N2 O2P 1 21/c 113.659; 6.256; 12.862
90; 107; 90
1051Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter
Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions
Acta Crystallographica Section B, 2011, 67, 569-581
2105045 CIF
HKL
Paper
C19 H14 N2 O2P 21 21 217.875; 9.892; 18.843
90; 90; 90
1467.9Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter
Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions
Acta Crystallographica Section B, 2011, 67, 569-581
2105046 CIF
HKL
Paper
Ca4 Fe2 Mn0.5 O9 Ti0.5A m m a5.351; 26.669; 5.4914
90; 90; 90
783.65Krüger, H.; Stöber, S.; Welberry, T. R.; Withers, R. L.; Fitz Gerald, J. D.
Stacking faults and superstructures in a layered brownmillerite
Acta Crystallographica Section B, 2011, 67, 476-485
2105047 CIF
HKL
Paper
C12 H15 N5 O8P -17.0689; 8.5538; 13.0736
90.4259; 105.118; 102.425
743.58Şerb, Mihaela-Diana; Wang, Ruimin; Meven, Martin; Englert, Ulli
The whole range of hydrogen bonds in one crystal structure: neutron diffraction and charge-density studies of <i>N</i>,<i>N</i>-dimethylbiguanidinium bis(hydrogensquarate)
Acta Crystallographica Section B, 2011, 67, 552-559
2105048 CIF
HKL
Paper
C6 H10 N2 O2P 1 21/n 16.503; 6.418; 16.416
90; 92.087; 90
684.7Tilborg, Anaëlle; Jacquemin, Denis; Norberg, Bernadette; Perpète, Eric; Michaux, Catherine; Wouters, Johan
Structural study of piracetam polymorphs and cocrystals: crystallography redetermination and quantum mechanics calculations
Acta Crystallographica Section B, 2011, 67, 499-507
2105049 CIF
HKL
Paper
Li0.63 Zn0.87R -3 m :H4.386; 4.386; 18.738
90; 90; 120
312.2Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut
Polymorphism of Li~2~Zn~3~
Acta Crystallographica Section B, 2012, 68, 34-39
2105050 CIF
Paper
Li0.62 Zn0.87P -3 m 14.3528; 4.3528; 8.003
90; 90; 120
131.32Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut
Polymorphism of Li~2~Zn~3~
Acta Crystallographica Section B, 2012, 68, 34-39
2105051 CIF
HKL
Paper
Cl4 Cu O12 Pb5 Se4C 1 2/c 124.917; 5.506; 14.242
90; 101.77; 90
1912.8Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria
Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography
Acta Crystallographica Section B, 2012, 68, 15-23

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