Crystallography Open Database

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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
2105340 CIF
Paper
Al4 Ca0.03 K0.54 Na3.24 O16 Si4X3(00\g)017.2889; 17.2889; 8.3622
90; 90; 120
2164.6Friese, Karen; Grzechnik, Andrzej; Petříček, Vaclav; Schönleber, Andreas; van Smaalen, Sander; Morgenroth, Wolfgang
Modulated structure of nepheline
Acta Crystallographica Section B, 2011, 67, 18-29
2310026 CIF
Paper
Cl4 Rb2 ZnPmcn(00\g)ss07.241; 12.648; 9.216
90; 90; 90
844.04Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander
Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~
Acta Crystallographica Section B, 2011, 67, 205-217
2310027 CIF
Paper
Cl4 Rb2 ZnPmcn(00\g)ss07.241; 12.648; 9.216
90; 90; 90
844.04Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander
Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~
Acta Crystallographica Section B, 2011, 67, 205-217
2310028 CIF
Paper
Sb8 Te3R-3m(00\g)4.3134; 4.3134; 5.8658
90; 90; 120
94.514Kifune, Kouichi; Fujita, Tomoko; Kubota, Yoshiki; Yamada, Noboru; Matsunaga, Toshiyuki
Crystallization of the chalcogenide compound Sb~8~Te~3~
Acta Crystallographica Section B, 2011, 67, 381-385

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