Search results

Formula: - Ga5.61 La3 O14 Ta0.41 -
Comments: Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B 66(5) (2010) 497-502
Space group: P 3 2 1
Cell volume: 300.2
Cell parameters: 8.224; 8.224; 5.126; 90; 90; 120;

COD ID: 2017773

Formula: - Ga5.34 La3 O14 Si0.36 Ta0.29 -
Comments: Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B 66(5) (2010) 497-502
Space group: P 3 2 1
Cell volume: 297.7
Cell parameters: 8.195; 8.195; 5.118; 90; 90; 120;

COD ID: 2017774

Formula: - Ga5.48 La3 O14 Ta0.03 Zr0.5 -
Comments: Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B 66(5) (2010) 497-502
Space group: P 3 2 1
Cell volume: 303.5
Cell parameters: 8.256; 8.256; 5.141; 90; 90; 120;

COD ID: 2017775

Formula: - C41 H77.77 N2 O15.88 -
Comments: Holstein, J. J.; Luger, P.; Kalinowski, R.; Mebs, S.; Paulman, C.; Dittrich, B. Validation of experimental charge densities: refinement of the macrolide antibiotic roxithromycin Acta Crystallographica Section B 66(5) (2010) 568-577
Space group: P 21 21 21
Cell volume: 4675.8
Cell parameters: 11.624; 16.748; 24.018; 90; 90; 90;

COD ID: 2017776
CIF file Original IUCr paper	Formula: - C22 H8 Br2 O2 - Comments: Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M. Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones Acta Crystallographica Section B 66(5) (2010) 515-526 Space group: P 1 21/c 1 Cell volume: 758.5 Cell parameters: 3.865; 19.424; 10.113; 90; 92.56; 90;

COD ID: 2017777
CIF file Original IUCr paper	Formula: - C22 H8 I2 O2 - Comments: Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M. Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones Acta Crystallographica Section B 66(5) (2010) 515-526 Space group: P 1 21/c 1 Cell volume: 802.8 Cell parameters: 4.202; 20.956; 9.276; 90; 100.63; 90;

COD ID: 2017778
CIF file Original IUCr paper	Formula: - C22 H8 Cl2 O2 - Comments: Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M. Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones Acta Crystallographica Section B 66(5) (2010) 515-526 Space group: P -1 Cell volume: 368.04 Cell parameters: 3.795; 9.527; 10.662; 105.78; 93.27; 95.26;

COD ID: 2017779

Formula: - C24 H30 N6 -
Comments: Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study Acta Crystallographica Section B 66(5) (2010) 527-543
Space group: P -1
Cell volume: 1618.9
Cell parameters: 9.697; 12.2426; 13.9365; 87.182; 81.257; 82.062;

COD ID: 2017780
CIF file Original IUCr paper	Formula: - C24 H30 N6 - Comments: Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study Acta Crystallographica Section B 66(5) (2010) 527-543 Space group: P -1 Cell volume: 1112 Cell parameters: 9.8236; 9.9337; 12.1088; 92.421; 98.77; 107.011;

COD ID: 2017781

Formula: - C76 H96 N20 O0.68 -
Comments: Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study Acta Crystallographica Section B 66(5) (2010) 527-543
Space group: P -1
Cell volume: 1824.4
Cell parameters: 12.2369; 12.5634; 13.0094; 87.378; 68.153; 79.441;

COD ID: 2017782
CIF file Original IUCr paper	Formula: - C H6 N O3 P - Comments: Janicki, Rafał; Starynowicz, Przemysław Charge density distribution in aminomethylphosphonic acid Acta Crystallographica Section B 66(5) (2010) 559-567 Space group: P b c a Cell volume: 824.9 Cell parameters: 8.977; 9.186; 10.003; 90; 90; 90;

COD ID: 2017783

Formula: - C19 H35 Cl P Rh -
Comments: Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K. Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^t^Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl] Acta Crystallographica Section B 66(5) (2010) 503-514
Space group: P 1 21/n 1
Cell volume: 1910.26
Cell parameters: 8.43502; 13.97075; 16.67516; 90; 103.563; 90;

COD ID: 2017784

Formula: - C25 H41 Cl P Rh -
Comments: Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K. Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^t^Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl] Acta Crystallographica Section B 66(5) (2010) 503-514
Space group: P 1 21/n 1
Cell volume: 2344.24
Cell parameters: 10.21309; 15.82275; 14.64123; 90; 97.7784; 90;

COD ID: 2104666
CIF file Original IUCr paper	Formula: - Ge9 O33 Pb15 - Comments: Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B 66(1) (2010) 1-16 Space group: P 3 Cell volume: 966.23 Cell parameters: 10.22887; 10.22887; 10.66337; 90; 90; 120;

COD ID: 2104667
CIF file Original IUCr paper	Formula: - Bi1.5 Ge9 Na1.5 O33 Pb12 - Comments: Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B 66(1) (2010) 1-16 Space group: P 3 Cell volume: 935.651 Cell parameters: 10.13385; 10.13385; 10.52045; 90; 90; 120;

COD ID: 2104668
CIF file Original IUCr paper	Formula: - Bi3 Ge9 Na3 O33 Pb9 - Comments: Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B 66(1) (2010) 1-16 Space group: P 3 Cell volume: 916.934 Cell parameters: 10.08745; 10.08745; 10.40506; 90; 90; 120;

COD ID: 2104669
CIF file Original IUCr paper	Formula: - Ca8 Cl3.8 O42.1 Pb12 Si12 - Comments: Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B 66(1) (2010) 1-16 Space group: P 63/m Cell volume: 1168.24 Cell parameters: 10.0898; 10.0898; 13.2506; 90; 90; 120;

COD ID: 2104670

Formula: - F4 Mo N2 O2 -
Comments: Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M. Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~ Acta Crystallographica Section B 66(1) (2010) 34-39
Space group: C m c m
Cell volume: 614.37
Cell parameters: 5.9672; 14.4798; 7.1105; 90; 90; 90;

COD ID: 2104671

Formula: - F4 Mo N2 O2 -
Comments: Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M. Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~ Acta Crystallographica Section B 66(1) (2010) 34-39
Space group: P n m a
Cell volume: 601.52
Cell parameters: 7.1452; 5.8979; 14.2737; 90; 90; 90;

COD ID: 2104672

Formula: - Mn0.729 O1.458 Rb -
Comments: Nuss, Jürgen; Pfeiffer, Steffen; van Smaalen, Sander; Jansen, Martin Structures of incommensurate and commensurate composite crystals Rb~x~MnO~2~ (x = 1.3711, 1.3636) Acta Crystallographica Section B 66(1) (2010) 27-33
Space group: Fddd(00\g)ss0
Cell volume: 978.04
Cell parameters: 12.207; 20.1548; 3.9753; 90; 90; 90;

COD ID: 2104673

Formula: - Mn0.733 O1.467 Rb -
Comments: Nuss, Jürgen; Pfeiffer, Steffen; van Smaalen, Sander; Jansen, Martin Structures of incommensurate and commensurate composite crystals Rb~x~MnO~2~ (x = 1.3711, 1.3636) Acta Crystallographica Section B 66(1) (2010) 27-33
Space group: Fddd(00\g)ss0
Cell volume: 974.74
Cell parameters: 12.1639; 20.1013; 3.9865; 90; 90; 90;

COD ID: 2104674
CIF file Original IUCr paper	Formula: - Li0.94 Ni1.04 O7 Ti2.67 - Comments: Gemmi, Mauro; Klein, Holger; Rageau, Amelie; Strobel, Pierre; Le Cras, Federic Structure solution of the new titanate Li~4~Ti~8~Ni~3~O~21~ using precession electron diffraction Acta Crystallographica Section B 66(1) (2010) 60-68 Space group: P -3 c 1 Cell volume: 721.202 Cell parameters: 5.059105; 5.059105; 32.53711; 90; 90; 120;

COD ID: 2104675
CIF file Original IUCr paper	Formula: - Li Ni0.5 O4 Ti1.5 - Comments: Gemmi, Mauro; Klein, Holger; Rageau, Amelie; Strobel, Pierre; Le Cras, Federic Structure solution of the new titanate Li~4~Ti~8~Ni~3~O~21~ using precession electron diffraction Acta Crystallographica Section B 66(1) (2010) 60-68 Space group: F d -3 m :2 Cell volume: 585.194 Cell parameters: 8.36437; 8.36437; 8.36437; 90; 90; 90;

COD ID: 2104676
CIF file Original IUCr paper	Formula: - Cs2 Cu O12 Si5 - Comments: Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N. Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i> Acta Crystallographica Section B 66(1) (2010) 51-59 Space group: P b c a Cell volume: 2512.85 Cell parameters: 13.58943; 13.57355; 13.62296; 90; 90; 90;

COD ID: 2104677
CIF file Original IUCr paper	Formula: - Cs8 Cu4 O48 Si20 - Comments: Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N. Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i> Acta Crystallographica Section B 66(1) (2010) 51-59 Space group: I a -3 d Cell volume: 2533.37 Cell parameters: 13.6322; 13.6322; 13.6322; 90; 90; 90;

COD ID: 2104678

Formula: - C13 H18 O2 -
Comments: Derollez, Patrick; Dudognon, Emeline; Affouard, Frédéric; Danède, Florence; Correia, Natália T.; Descamps, Marc Ab initio structure determination of phase II of racemic ibuprofen by X-ray powder diffraction Acta Crystallographica Section B 66(1) (2010) 76-80
Space group: P 1 21/c 1
Cell volume: 1272.03
Cell parameters: 12.3794; 5.8723; 17.5615; 90; 94.873; 90;

COD ID: 2104679

Formula: - C74 H48 Ag2 F12 N2 P4 S2 -
Comments: Omondi, Bernard; Meijboom, Reinout Concomitant polymorphic behavior of di-μ-thiocyanato-κ^2^N:S;κ^2^S:N-bis[bis(tri-p-fluorophenylphosphine-κP)silver(I)] Acta Crystallographica Section B 66(1) (2010) 69-75
Space group: P 1 21/n 1
Cell volume: 3321.7
Cell parameters: 8.7406; 15.4925; 24.5352; 90; 91.2; 90;

COD ID: 2104680

Formula: - C74 H48 Ag2 F12 N2 P4 S2 -
Comments: Omondi, Bernard; Meijboom, Reinout Concomitant polymorphic behavior of di-μ-thiocyanato-κ^2^N:S;κ^2^S:N-bis[bis(tri-p-fluorophenylphosphine-κP)silver(I)] Acta Crystallographica Section B 66(1) (2010) 69-75
Space group: P 1 21/c 1
Cell volume: 9942.8
Cell parameters: 18.5885; 14.0668; 38.275; 90; 96.551; 90;

COD ID: 2104681

Formula: - C24 H17.2 Fe Na2 O4.6 -
Comments: Gallagher, 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 Z' = 5, catena-[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 66(2) (2010) 196-205
Space group: P b c a
Cell volume: 19358.4
Cell parameters: 36.4368; 11.5998; 45.8014; 90; 90; 90;

COD ID: 2104682

Formula: - C28 H26 Fe O4 -
Comments: Gallagher, 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 Z' = 5, catena-[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 66(2) (2010) 196-205
Space group: P -1
Cell volume: 2202.82
Cell parameters: 9.1028; 9.6826; 25.3805; 83.683; 82.2; 89.46;

COD ID: 2104683
CIF file Original IUCr paper	Formula: - Cr2 O7 P2 - Comments: Li, Liang; Schönleber, Andreas; van Smaalen, Sander Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM) Acta Crystallographica Section B 66(2) (2010) 130-140 Space group: C2/m(\a0\g)-1s Cell volume: 258.708 Cell parameters: 7.0192; 8.4063; 4.6264; 90; 108.611; 90;

COD ID: 2104684

Formula: - Cr2 O7 P2 -
Comments: Li, Liang; Schönleber, Andreas; van Smaalen, Sander Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM) Acta Crystallographica Section B 66(2) (2010) 130-140
Space group: C2/m(\a0\g)0s
Cell volume: 258.708
Cell parameters: 7.0192; 8.4063; 4.6264; 90; 108.611; 90;

COD ID: 2104686

Formula: - Bi35.66 O66.51 W4.34 -
Comments: Sharma, Neeraj; Macquart, Rene B.; Avdeev, Maxim; Christensen, Mogens; McIntyre, Garry J.; Chen, Yu-Sheng; Ling, Chris D. Re-investigation of the structure and crystal chemistry of the Bi~2~O~3~‒W~2~O~6~ `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction Acta Crystallographica Section B 66(2) (2010) 165-172
Space group: I 41
Cell volume: 1777.83
Cell parameters: 12.5576; 12.5576; 11.274; 90; 90; 90;

COD ID: 2104688

Formula: - Ca O6 Sr2 W -
Comments: Madariaga, G.; Faik, A.; Breczewski, T.; Igartua, J. M. Crystal growth and twinned crystal structure of Sr~2~CaWO~6~ Acta Crystallographica Section B 66(2) (2010) 109-116
Space group: P 1 21/n 1
Cell volume: 276.7
Cell parameters: 5.8; 5.813; 8.207; 90; 89.966; 90;

COD ID: 2104689
CIF file Original IUCr paper	Formula: - B2 Ga4 O9 - Comments: Cong, Rihong; Yang, Tao; Li, Kuo; Li, Hongmei; You, Liping; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua Mullite-type Ga~4~B~2~O~9~: structure and order‒disorder phenomenon Acta Crystallographica Section B 66(2) (2010) 141-150 Space group: C 1 2/m 1 Cell volume: 680.936 Cell parameters: 15.3658; 5.72177; 10.9987; 90; 135.237; 90;

COD ID: 2104690

Formula: - C4 H12 Si -
Comments: Wolf, Alexandra K.; Glinnemann, Jürgen; Fink, Lothar; Alig, Edith; Bolte, Michael; Schmidt, Martin U. Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane Acta Crystallographica Section B 66(2) (2010) 229-236
Space group: P n m a
Cell volume: 681.3
Cell parameters: 13.131; 8.198; 6.329; 90; 90; 90;

COD ID: 2104691

Formula: - C4 H9 N O2 -
Comments: Görbitz, Carl Henrik L-2-Aminobutyric acid: two fully ordered polymorphs with Z' = 4 Acta Crystallographica Section B 66(2) (2010) 253-259
Space group: P 1 21 1
Cell volume: 1057.2
Cell parameters: 9.614; 5.227; 21.385; 90; 100.326; 90;

COD ID: 2104692

Formula: - C4 H9 N O2 -
Comments: Görbitz, Carl Henrik L-2-Aminobutyric acid: two fully ordered polymorphs with Z' = 4 Acta Crystallographica Section B 66(2) (2010) 253-259
Space group: I 1 2 1
Cell volume: 2122.3
Cell parameters: 9.646; 5.2145; 42.885; 90; 100.295; 90;

COD ID: 2104693

Formula: - Ga0.25 O1.25 Zn0.75 -
Comments: Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~m~ Acta Crystallographica Section B 66(2) (2010) 117-129
Space group: Cmmm(00\g)0s0
Cell volume: 197.53
Cell parameters: 3.2465; 19.64; 3.0979; 90; 90; 90;

COD ID: 2104694

Formula: - Ga0.1818 O1.0909 Zn0.8181 -
Comments: Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~m~ Acta Crystallographica Section B 66(2) (2010) 117-129
Space group: Cmcm(00\g)000
Cell volume: 195.54
Cell parameters: 3.2494; 19.722; 3.0513; 90; 90; 90;

COD ID: 2104695

Formula: - H8 Na2 O23 Si8 Sr2 -
Comments: Cadoni, Marcella; Ferraris, Giovanni Two new silicate structures based on a rhodesite-type heteropolyhedral microporous framework Acta Crystallographica Section B 66(2) (2010) 151-157
Space group: C 1 2/c 1
Cell volume: 2141.96
Cell parameters: 22.7681; 6.9352; 13.5789; 90; 92.578; 90;

COD ID: 2104696
CIF file Original IUCr paper	Formula: - H8 Na4 O23 Si8 Sr - Comments: Cadoni, Marcella; Ferraris, Giovanni Two new silicate structures based on a rhodesite-type heteropolyhedral microporous framework Acta Crystallographica Section B 66(2) (2010) 151-157 Space group: P 1 2/c 1 Cell volume: 2095.24 Cell parameters: 22.4102; 7.0292; 13.314; 90; 92.538; 90;

COD ID: 2104697
CIF file Original IUCr paper	Formula: - Ce H4.5 K0.26 Na2.74 O17.25 Si6 - Comments: Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B 66(2) (2010) 158-164 Space group: C m m 2 Cell volume: 1647.08 Cell parameters: 7.4128; 30.9652; 7.1756; 90; 90; 90;

COD ID: 2104698
CIF file Original IUCr paper	Formula: - H4.5 K0.28 La Na2.72 O17.25 Si6 - Comments: Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B 66(2) (2010) 158-164 Space group: C m m 2 Cell volume: 1657.75 Cell parameters: 7.4217; 31.0393; 7.1962; 90; 90; 90;

COD ID: 2104699
CIF file Original IUCr paper	Formula: - H4.5 La Na3 O17.25 Si6 - Comments: Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B 66(2) (2010) 158-164 Space group: C m m 2 Cell volume: 1644.43 Cell parameters: 7.4153; 31.0018; 7.1532; 90; 90; 90;

COD ID: 2104700
CIF file Original IUCr paper	Formula: - Eu0.32 H5.28 La0.68 Na2.74 O17.51 Si6 - Comments: Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B 66(2) (2010) 158-164 Space group: C m m 2 Cell volume: 1626.19 Cell parameters: 7.3907; 30.8726; 7.1271; 90; 90; 90;

COD ID: 2104701

Formula: - C20 H26 Cl2 Cu N6 O14 -
Comments: Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B 66(2) (2010) 206-212
Space group: P -1
Cell volume: 1494.34
Cell parameters: 7.1699; 13.2151; 17.3664; 107.673; 96.0833; 103.76;

COD ID: 2104702

Formula: - C20 H26 Cl2 Cu N6 O14 -
Comments: Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B 66(2) (2010) 206-212
Space group: P -1
Cell volume: 1475.84
Cell parameters: 7.1247; 13.1767; 17.2946; 107.732; 96.0184; 103.566;

COD ID: 2104703

Formula: - C20 H26 Cl2 Cu N6 O14 -
Comments: Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B 66(2) (2010) 206-212
Space group: P -1
Cell volume: 1461.58
Cell parameters: 7.0855; 13.1506; 17.251; 107.936; 95.762; 103.432;

COD ID: 2104704

Formula: - C20 H26 Cl2 Cu N6 O14 -
Comments: Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B 66(2) (2010) 206-212
Space group: P -1
Cell volume: 1440.99
Cell parameters: 6.897; 13.1061; 17.5747; 107.295; 94.5678; 105.338;

COD ID: 2104705

Formula: - C20 H26 Cl2 Cu N6 O14 -
Comments: Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B 66(2) (2010) 206-212
Space group: P -1
Cell volume: 1428.17
Cell parameters: 6.8625; 13.068; 17.5693; 107.271; 94.0866; 105.75;

COD ID: 2104706

Formula: - C20 H26 Cl2 Cu N6 O14 -
Comments: Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B 66(2) (2010) 206-212
Space group: P -1
Cell volume: 1426.92
Cell parameters: 6.8472; 13.0645; 17.5942; 107.211; 93.712; 105.976;

COD ID: 2104707

Formula: - C10 H40 Al N3 O24 -
Comments: Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt More examples of the 15-crown-5···H~2~O—M—OH~2~···15-crown-5 motif, M = Al^3+^, Cr^3+^ and Pd^2+^ Acta Crystallographica Section B 66(2) (2010) 213-221
Space group: P -1
Cell volume: 1352.72
Cell parameters: 9.8642; 11.7922; 12.8064; 99.1087; 112.27; 92.3805;

COD ID: 2104708

Formula: - C10 H40 Al N3 O24 -
Comments: Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt More examples of the 15-crown-5···H~2~O—M—OH~2~···15-crown-5 motif, M = Al^3+^, Cr^3+^ and Pd^2+^ Acta Crystallographica Section B 66(2) (2010) 213-221
Space group: C 1 2/c 1
Cell volume: 5426.65
Cell parameters: 18.6039; 9.3611; 31.5795; 90; 99.3468; 90;

COD ID: 2104709

Formula: - C30 H77.44 Cr2 N6 O45.32 -
Comments: Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt More examples of the 15-crown-5···H~2~O—M—OH~2~···15-crown-5 motif, M = Al^3+^, Cr^3+^ and Pd^2+^ Acta Crystallographica Section B 66(2) (2010) 213-221
Space group: P 1 21/c 1
Cell volume: 2927.9
Cell parameters: 18.0939; 9.4487; 19.0682; 90; 116.086; 90;

COD ID: 2104710

Formula: - C10 H24 N2 O13 Pd -
Comments: Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt More examples of the 15-crown-5···H~2~O—M—OH~2~···15-crown-5 motif, M = Al^3+^, Cr^3+^ and Pd^2+^ Acta Crystallographica Section B 66(2) (2010) 213-221
Space group: P -1
Cell volume: 879.13
Cell parameters: 7.4649; 9.5487; 13.3944; 73.8388; 88.0601; 73.6959;

COD ID: 2104711

Formula: - C20 H50 N4 O26 Pd -
Comments: Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt More examples of the 15-crown-5···H~2~O—M—OH~2~···15-crown-5 motif, M = Al^3+^, Cr^3+^ and Pd^2+^ Acta Crystallographica Section B 66(2) (2010) 213-221
Space group: P -1
Cell volume: 889.21
Cell parameters: 7.0048; 9.8871; 13.844; 79.8454; 87.7567; 70.4587;

COD ID: 2104712
CIF file Original IUCr paper	Formula: - C6 H6 Cl N O6 - Comments: Ye, Heng-Yun; Chen, Li-Zhuang; Xiong, Ren-Gen Reversible phase transition of pyridinium-3-carboxylic acid perchlorate Acta Crystallographica Section B 66(3) (2010) 387-395 Space group: P 1 21/c 1 Cell volume: 912.4 Cell parameters: 7.4; 16.996; 7.865; 90; 112.717; 90;

COD ID: 2104713
CIF file Original IUCr paper	Formula: - C6 H6 Cl N O6 - Comments: Ye, Heng-Yun; Chen, Li-Zhuang; Xiong, Ren-Gen Reversible phase transition of pyridinium-3-carboxylic acid perchlorate Acta Crystallographica Section B 66(3) (2010) 387-395 Space group: P 1 21/c 1 Cell volume: 888.3 Cell parameters: 7.404; 16.793; 7.751; 90; 112.817; 90;

COD ID: 2104714
CIF file Original IUCr paper	Formula: - C6 H6 Cl N O6 - Comments: Ye, Heng-Yun; Chen, Li-Zhuang; Xiong, Ren-Gen Reversible phase transition of pyridinium-3-carboxylic acid perchlorate Acta Crystallographica Section B 66(3) (2010) 387-395 Space group: P 1 21/c 1 Cell volume: 864.37 Cell parameters: 7.4564; 16.5261; 7.1282; 90; 79.754; 90;

COD ID: 2104715

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 67.9798
Cell parameters: 4.08125; 4.08125; 4.08125; 90; 90; 90;

COD ID: 2104716

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 67.9313
Cell parameters: 4.08028; 4.08028; 4.08028; 90; 90; 90;

COD ID: 2104717

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 67.7372
Cell parameters: 4.07639; 4.07639; 4.07639; 90; 90; 90;

COD ID: 2104718

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 403.79
Cell parameters: 5.7515; 5.7515; 14.095; 90; 90; 120;

COD ID: 2104719

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 402.31
Cell parameters: 5.7444; 5.7444; 14.078; 90; 90; 120;

COD ID: 2104720

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 400.7
Cell parameters: 5.7374; 5.7374; 14.056; 90; 90; 120;

COD ID: 2104721

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 398.41
Cell parameters: 5.7275; 5.7275; 14.024; 90; 90; 120;

COD ID: 2104722

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 395.84
Cell parameters: 5.7147; 5.7147; 13.996; 90; 90; 120;

COD ID: 2104723

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 392.12
Cell parameters: 5.7002; 5.7002; 13.935; 90; 90; 120;

COD ID: 2104724

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 391.15
Cell parameters: 5.7001; 5.7001; 13.901; 90; 90; 120;

COD ID: 2104725

Formula: - O3 Pb Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 387.18
Cell parameters: 5.6828; 5.68276; 13.8439; 90; 90; 120;

COD ID: 2104726

Formula: - Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 68.1038
Cell parameters: 4.08373; 4.08373; 4.08373; 90; 90; 90;

COD ID: 2104727

Formula: - Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 67.9778
Cell parameters: 4.08121; 4.08121; 4.08121; 90; 90; 90;

COD ID: 2104728

Formula: - Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 67.7282
Cell parameters: 4.07621; 4.07621; 4.07621; 90; 90; 90;

COD ID: 2104729

Formula: - Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 67.5027
Cell parameters: 4.07168; 4.07168; 4.07168; 90; 90; 90;

COD ID: 2104730

Formula: - Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: P m -3 m
Cell volume: 66.5734
Cell parameters: 4.05291; 4.05291; 4.05291; 90; 90; 90;

COD ID: 2104731

Formula: - Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 397.27
Cell parameters: 5.7209; 5.7209; 14.016; 90; 90; 120;

COD ID: 2104732

Formula: - Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5 -
Comments: Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure Acta Crystallographica Section B 66(3) (2010) 280-291
Space group: R -3 c :H
Cell volume: 388.86
Cell parameters: 5.6797; 5.6797; 13.919; 90; 90; 120;

COD ID: 2104733

Formula: - C24 H86 F7 Ga14 N8 O72 P16 Zn2 -
Comments: Helliwell, M.; Helliwell, J. R.; Kaucic, V.; Zabukovec Logar, N.; Teat, S. J.; Warren, J. E.; Dodson, E. J. Determination of zinc incorporation in the Zn-substituted gallophosphate ZnULM-5 by multiple wavelength anomalous dispersion techniques Acta Crystallographica Section B 66(3) (2010) 345-357
Space group: P 21 21 2
Cell volume: 4698
Cell parameters: 24.814; 18.458; 10.2575; 90; 90; 90;

COD ID: 2104734
CIF file Original IUCr paper	Formula: - Fe9 S10 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 1 21/c 1 Cell volume: 1178.93 Cell parameters: 6.89339; 28.67216; 6.88524; 90; 119.967; 90;

COD ID: 2104735
CIF file Original IUCr paper	Formula: - Fe9 S10 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 1 21/c 1 Cell volume: 1178.93 Cell parameters: 6.89268; 28.67214; 6.8852; 90; 119.956; 90;

COD ID: 2104736
CIF file Original IUCr paper	Formula: - B6 La - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P m -3 m Cell volume: 71.8388 Cell parameters: 4.15706; 4.15706; 4.15706; 90; 90; 90;

COD ID: 2104737
CIF file Original IUCr paper	Formula: - Si - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: F d -3 m Cell volume: 160.188 Cell parameters: 5.43096; 5.43096; 5.43096; 90; 90; 90;

COD ID: 2104738
CIF file Original IUCr paper	Formula: - Fe9 S10 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 1 21/c 1 Cell volume: 1178.79 Cell parameters: 6.89967; 28.66865; 6.88177; 90; 120.007; 90;

COD ID: 2104739
CIF file Original IUCr paper	Formula: - Fe7 S8 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: C 1 2/c 1 Cell volume: 932.85 Cell parameters: 11.91383; 6.87079; 12.91089; 90; 118.034; 90;

COD ID: 2104740
CIF file Original IUCr paper	Formula: - Fe7 S8 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: C 1 2/c 1 Cell volume: 936.51 Cell parameters: 11.938; 6.85191; 12.94671; 90; 117.832; 90;

COD ID: 2104741
CIF file Original IUCr paper	Formula: - As Fe S - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P -1 Cell volume: 174.49 Cell parameters: 5.74339; 5.66981; 5.78711; 90; 112.191; 90;

COD ID: 2104742
CIF file Original IUCr paper	Formula: - Cu Fe S2 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: I -4 2 d Cell volume: 291.52 Cell parameters: 5.2888; 5.2888; 10.4221; 90; 90; 90;

COD ID: 2104743
CIF file Original IUCr paper	Formula: - O2 Sn - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 42/m n m Cell volume: 71.482 Cell parameters: 4.7357; 4.7357; 3.18732; 90; 90; 90;

COD ID: 2104744
CIF file Original IUCr paper	Formula: - Ca5 F O12 P3 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 63/m Cell volume: 523.62 Cell parameters: 9.37245; 9.37245; 6.88302; 90; 90; 120;

COD ID: 2104745
CIF file Original IUCr paper	Formula: - Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: R 3 m :H Cell volume: 1586.2 Cell parameters: 15.9607; 15.9607; 7.19; 90; 90; 120;

COD ID: 2104746
CIF file Original IUCr paper	Formula: - C Fe O3 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: R -3 c :H Cell volume: 292.61 Cell parameters: 4.68658; 4.68658; 15.3832; 90; 90; 120;

COD ID: 2104747
CIF file Original IUCr paper	Formula: - B6 La - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P m -3 m Cell volume: 71.8388 Cell parameters: 4.15706; 4.15706; 4.15706; 90; 90; 90;

COD ID: 2104749
CIF file Original IUCr paper	Formula: - Fe9 S10 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 1 21/c 1 Cell volume: 1178.79 Cell parameters: 6.88904; 28.66859; 6.88286; 90; 119.869; 90;

COD ID: 2104750
CIF file Original IUCr paper	Formula: - Fe7 S8 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: C 1 2/c 1 Cell volume: 932.82 Cell parameters: 11.91356; 6.87062; 12.91102; 90; 118.034; 90;

COD ID: 2104751
CIF file Original IUCr paper	Formula: - Fe7 S8 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: C 1 2/c 1 Cell volume: 936.5 Cell parameters: 11.9381; 6.85202; 12.9461; 90; 117.831; 90;

COD ID: 2104752
CIF file Original IUCr paper	Formula: - As Fe S - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P -1 Cell volume: 174.49 Cell parameters: 5.74336; 5.66981; 5.78711; 90; 112.19; 90;

COD ID: 2104754
CIF file Original IUCr paper	Formula: - O2 Sn - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 42/m n m Cell volume: 71.482 Cell parameters: 4.73576; 4.73576; 3.18726; 90; 90; 90;

COD ID: 2104755
CIF file Original IUCr paper	Formula: - Ca5 F O12 P3 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: P 63/m Cell volume: 523.63 Cell parameters: 9.37243; 9.37243; 6.88313; 90; 90; 120;

COD ID: 2104756
CIF file Original IUCr paper	Formula: - Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: R 3 m :H Cell volume: 1586.2 Cell parameters: 15.9608; 15.9608; 7.19; 90; 90; 120;

COD ID: 2104757
CIF file Original IUCr paper	Formula: - C Fe O3 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: R -3 c :H Cell volume: 292.6 Cell parameters: 4.68653; 4.68653; 15.3832; 90; 90; 120;

COD ID: 2104758
CIF file Original IUCr paper	Formula: - H16 N6 O10 S - Comments: Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A. Structures of relevant ammonium salts in fertilizers Acta Crystallographica Section B 66(3) (2010) 358-365 Space group: P 1 21/c 1 Cell volume: 1130.16 Cell parameters: 10.241; 11.216; 10.1672; 90; 104.594; 90;

COD ID: 2104759
CIF file Original IUCr paper	Formula: - H16 N6 O10 S - Comments: Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A. Structures of relevant ammonium salts in fertilizers Acta Crystallographica Section B 66(3) (2010) 358-365 Space group: P 1 21/c 1 Cell volume: 1160.09 Cell parameters: 10.3178; 11.4014; 10.2567; 90; 105.956; 90;

COD ID: 2104760
CIF file Original IUCr paper	Formula: - H20 N8 O13 S - Comments: Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A. Structures of relevant ammonium salts in fertilizers Acta Crystallographica Section B 66(3) (2010) 358-365 Space group: P 1 21 1 Cell volume: 722.763 Cell parameters: 9.8642; 5.9636; 12.3046; 90; 93.115; 90;

COD ID: 2104761
CIF file Original IUCr paper	Formula: - H20 N8 O13 S - Comments: Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A. Structures of relevant ammonium salts in fertilizers Acta Crystallographica Section B 66(3) (2010) 358-365 Space group: P 1 21 1 Cell volume: 732.59 Cell parameters: 9.9566; 5.9332; 12.4161; 90; 92.817; 90;

COD ID: 2104762
CIF file Original IUCr paper	Formula: - B6 Sm - Comments: Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B 66(3) (2010) 292-306 Space group: P m -3 m Cell volume: 70.583 Cell parameters: 4.1327; 4.1327; 4.1327; 90; 90; 90;

COD ID: 2104763
CIF file Original IUCr paper	Formula: - B6 Sm - Comments: Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B 66(3) (2010) 292-306 Space group: P m -3 m Cell volume: 70.573 Cell parameters: 4.1325; 4.1325; 4.1325; 90; 90; 90;

COD ID: 2104764
CIF file Original IUCr paper	Formula: - B6 Sm - Comments: Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B 66(3) (2010) 292-306 Space group: P m -3 m Cell volume: 70.64 Cell parameters: 4.1338; 4.1338; 4.1338; 90; 90; 90;

COD ID: 2104765
CIF file Original IUCr paper	Formula: - B6 Sm - Comments: Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K Acta Crystallographica Section B 66(3) (2010) 292-306 Space group: P m -3 m Cell volume: 70.681 Cell parameters: 4.1346; 4.1346; 4.1346; 90; 90; 90;

COD ID: 2104766

Formula: - C26 H22 N2 S2 Zn -
Comments: Scheins, Stephan; Zheng, Shao-Liang; Benedict, Jason B.; Coppens, Philip Charge-density analysis of the ground state of a photochromic 1,10-phenanthroline zinc(II) bis(thiolate) complex Acta Crystallographica Section B 66(3) (2010) 366-372
Space group: P 1 21/c 1
Cell volume: 2260.18
Cell parameters: 9.928; 19.9226; 12.01; 90; 107.924; 90;

COD ID: 2104767

Formula: - Bi2 Ga4 O9 -
Comments: Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase Acta Crystallographica Section B 66(3) (2010) 323-337
Space group: P b a m
Cell volume: 387.08
Cell parameters: 7.9264; 8.2922; 5.8892; 90; 90; 90;

COD ID: 2104768

Formula: - Bi2 Ga4 O9 -
Comments: Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase Acta Crystallographica Section B 66(3) (2010) 323-337
Space group: P b a m
Cell volume: 379.5
Cell parameters: 7.848; 8.23; 5.875; 90; 90; 90;

COD ID: 2104769

Formula: - Bi2 Ga4 O9 -
Comments: Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase Acta Crystallographica Section B 66(3) (2010) 323-337
Space group: P b a m
Cell volume: 368
Cell parameters: 7.7333; 8.173; 5.8228; 90; 90; 90;

COD ID: 2104770

Formula: - Bi2 Ga4 O9 -
Comments: Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase Acta Crystallographica Section B 66(3) (2010) 323-337
Space group: P b a m
Cell volume: 359.2
Cell parameters: 7.64; 8.114; 5.794; 90; 90; 90;

COD ID: 2104771

Formula: - Bi2 Ga4 O9 -
Comments: Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase Acta Crystallographica Section B 66(3) (2010) 323-337
Space group: P b a m
Cell volume: 345.45
Cell parameters: 7.4596; 8.058; 5.747; 90; 90; 90;

COD ID: 2104772

Formula: - Bi2 Ga4 O9 -
Comments: Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase Acta Crystallographica Section B 66(3) (2010) 323-337
Space group: P b n m
Cell volume: 652.7
Cell parameters: 6.966; 8.155; 11.49; 90; 90; 90;

COD ID: 2104773

Formula: - Bi2 Ga4 O9 -
Comments: Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase Acta Crystallographica Section B 66(3) (2010) 323-337
Space group: P b n m
Cell volume: 619.3
Cell parameters: 6.705; 8.107; 11.393; 90; 90; 90;

COD ID: 2104774
CIF file Original IUCr paper	Formula: - C10 H20 Mn N O10 - Comments: Biju, A. R.; Rajasekharan, M. V. Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion Acta Crystallographica Section B 66(3) (2010) 373-379 Space group: P -1 Cell volume: 824.28 Cell parameters: 7.7085; 7.7158; 15.9918; 97.889; 91.533; 118.38;

COD ID: 2104775
CIF file Original IUCr paper	Formula: - C10 H20 Mn N O10 - Comments: Biju, A. R.; Rajasekharan, M. V. Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion Acta Crystallographica Section B 66(3) (2010) 373-379 Space group: P -1 Cell volume: 1644.3 Cell parameters: 7.902; 13.238; 15.966; 86.226; 80.642; 89.99;

COD ID: 2104776
CIF file Original IUCr paper	Formula: - C10 H20 Mn N O10 - Comments: Biju, A. R.; Rajasekharan, M. V. Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion Acta Crystallographica Section B 66(3) (2010) 373-379 Space group: P -1 Cell volume: 1659 Cell parameters: 7.901; 13.298; 16.832; 109.655; 94.745; 90.033;

COD ID: 2104777

Formula: - C10 H20 Mn N O10 -
Comments: Biju, A. R.; Rajasekharan, M. V. Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion Acta Crystallographica Section B 66(3) (2010) 373-379
Space group: P 1 21/c 1
Cell volume: 3167.9
Cell parameters: 7.8378; 12.9697; 31.268; 90; 94.69; 90;

COD ID: 2104778

Formula: - C10 H22 B F4 Mn O8 -
Comments: Biju, A. R.; Rajasekharan, M. V. Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion Acta Crystallographica Section B 66(3) (2010) 373-379
Space group: C 1 2/m 1
Cell volume: 865.49
Cell parameters: 7.5897; 11.8987; 10.235; 90; 110.549; 90;

COD ID: 2104779

Formula: - C4 H6 N2 O4 S -
Comments: Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions Acta Crystallographica Section B 66(4) (2010) 451-457
Space group: P 21 21 21
Cell volume: 674.83
Cell parameters: 5.1744; 9.3697; 13.919; 90; 90; 90;

COD ID: 2104780

Formula: - C4 H6 N2 O4 S -
Comments: Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions Acta Crystallographica Section B 66(4) (2010) 451-457
Space group: P 21 21 21
Cell volume: 678.88
Cell parameters: 5.1748; 9.429; 13.9135; 90; 90; 90;

COD ID: 2104781

Formula: - C4 H6 N2 O4 S -
Comments: Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions Acta Crystallographica Section B 66(4) (2010) 451-457
Space group: P -1
Cell volume: 644.4
Cell parameters: 5.3552; 7.4832; 16.506; 86.484; 88.111; 77.487;

COD ID: 2104782

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 425
Cell parameters: 5.7952; 5.933; 12.362; 90; 90; 90;

COD ID: 2104783

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 411
Cell parameters: 5.7464; 5.834; 12.26; 90; 90; 90;

COD ID: 2104784

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 400.1
Cell parameters: 5.6999; 5.772; 12.161; 90; 90; 90;

COD ID: 2104785

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 387.6
Cell parameters: 5.6729; 5.671; 12.047; 90; 90; 90;

COD ID: 2104786

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 374.4
Cell parameters: 5.6254; 5.573; 11.942; 90; 90; 90;

COD ID: 2104787

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 369.2
Cell parameters: 5.6084; 5.552; 11.857; 90; 90; 90;

COD ID: 2104788

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 365.36
Cell parameters: 5.6083; 5.5139; 11.815; 90; 90; 90;

COD ID: 2104789

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 358.36
Cell parameters: 5.5845; 5.4749; 11.721; 90; 90; 90;

COD ID: 2104790

Formula: - C3 H7 N O2 -
Comments: Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R. Pressure-induced phase transitions in L-alanine, revisited Acta Crystallographica Section B 66(4) (2010) 458-471
Space group: P 21 21 21
Cell volume: 346.94
Cell parameters: 5.5441; 5.4007; 11.587; 90; 90; 90;

COD ID: 2104791

Formula: - C H6 Br3 N Sn -
Comments: Swainson, Ian; Chi, Lisheng; Her, Jae-Hyuk; Cranswick, Lachlan; Stephens, Peter; Winkler, Björn; Wilson, Daniel J.; Milman, Victor Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH~3~NH~3~SnBr~3~ Acta Crystallographica Section B 66(4) (2010) 422-429
Space group: P m c 21
Cell volume: 407.32
Cell parameters: 5.89406; 8.38619; 8.24063; 90; 90; 90;

COD ID: 2104792
CIF file Original IUCr paper	Formula: - Cu O4 P Rb - Comments: Henry, Paul F.; Kimber, Simon A. J.; Argyriou, Dimitri N. Polymorphism and piezochromicity in the three-dimensional network-based phosphate RbCuPO~4~ Acta Crystallographica Section B 66(4) (2010) 412-421 Space group: P n m a Cell volume: 1233.27 Cell parameters: 8.93178; 16.1181; 8.56656; 90; 90; 90;

COD ID: 2104793
CIF file Original IUCr paper	Formula: - Cu O4 P Rb - Comments: Henry, Paul F.; Kimber, Simon A. J.; Argyriou, Dimitri N. Polymorphism and piezochromicity in the three-dimensional network-based phosphate RbCuPO~4~ Acta Crystallographica Section B 66(4) (2010) 412-421 Space group: P 1 21 1 Cell volume: 419.84 Cell parameters: 8.60296; 9.6593; 5.05388; 90; 91.4224; 90;

COD ID: 2104794
CIF file Original IUCr paper	Formula: - C8 H18 N2 O4 S - Comments: Śledź, Paweł; Kamiński, Radosław; Chruszcz, Maksymilian; Zimmerman, Matthew D.; Minor, Wladek; Woźniak, Krzysztof An experimental charge density of HEPES Acta Crystallographica Section B 66(4) (2010) 482-492 Space group: P b c a Cell volume: 2145.53 Cell parameters: 8.3222; 9.5441; 27.0123; 90; 90; 90;

COD ID: 2104795

Formula: - C15 H25 N4 O4 P -
Comments: Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O. Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N',N''-bis(morpholino)phosphoric triamide Acta Crystallographica Section B 66(4) (2010) 441-450
Space group: P 1 21/c 1
Cell volume: 1783.6
Cell parameters: 9.9548; 20.3681; 8.8471; 90; 96.125; 90;

COD ID: 2104796

Formula: - C15 H21 N4 O6 P -
Comments: Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O. Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N',N''-bis(morpholino)phosphoric triamide Acta Crystallographica Section B 66(4) (2010) 441-450
Space group: P 1 21/c 1
Cell volume: 1705.5
Cell parameters: 16.2973; 11.1318; 9.4354; 90; 94.881; 90;

COD ID: 2104797

Formula: - C33 H50 La N11 O23 P2 -
Comments: Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O. Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N',N''-bis(morpholino)phosphoric triamide Acta Crystallographica Section B 66(4) (2010) 441-450
Space group: P 1 21/n 1
Cell volume: 4602.2
Cell parameters: 8.8631; 33.466; 15.5399; 90; 93.195; 90;

COD ID: 2104798

Formula: - C32 H49 Er N11 O23 P2 -
Comments: Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O. Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N',N''-bis(morpholino)phosphoric triamide Acta Crystallographica Section B 66(4) (2010) 441-450
Space group: P 1 21/n 1
Cell volume: 4499.6
Cell parameters: 8.7152; 33.5889; 15.3815; 90; 92.113; 90;

COD ID: 2104799

Formula: - C15 H21 N4 O4 P -
Comments: Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O. Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N',N''-bis(morpholino)phosphoric triamide Acta Crystallographica Section B 66(4) (2010) 441-450
Space group: P -1
Cell volume: 832.34
Cell parameters: 9.1631; 9.3224; 11.4353; 109.909; 110.445; 96.024;

COD ID: 2104800

Formula: - C19 H22 N2 -
Comments: Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of Z' for packing in the absence of strong crystal synthons Acta Crystallographica Section B 66(4) (2010) 472-481
Space group: P -1
Cell volume: 2324.2
Cell parameters: 10.9907; 13.8123; 17.224; 71.469; 88.621; 70.319;

COD ID: 2104801

Formula: - C21 H26 N2 -
Comments: Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of Z' for packing in the absence of strong crystal synthons Acta Crystallographica Section B 66(4) (2010) 472-481
Space group: P -1
Cell volume: 1704.1
Cell parameters: 7.6347; 15.454; 15.936; 66.214; 82.257; 85.37;

COD ID: 2104802

Formula: - C21 H26 N2 -
Comments: Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of Z' for packing in the absence of strong crystal synthons Acta Crystallographica Section B 66(4) (2010) 472-481
Space group: P 1 21/c 1
Cell volume: 5169.4
Cell parameters: 14.9437; 33.259; 10.7536; 90; 104.713; 90;

COD ID: 2104803

Formula: - C21 H26 N2 -
Comments: Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of Z' for packing in the absence of strong crystal synthons Acta Crystallographica Section B 66(4) (2010) 472-481
Space group: P 1 21/c 1
Cell volume: 1742.3
Cell parameters: 14.985; 11.195; 10.746; 90; 104.873; 90;

COD ID: 2104804

Formula: - C23 H30 N2 -
Comments: Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of Z' for packing in the absence of strong crystal synthons Acta Crystallographica Section B 66(4) (2010) 472-481
Space group: P 1 21/c 1
Cell volume: 1912.3
Cell parameters: 15.529; 12.186; 10.764; 90; 110.147; 90;

COD ID: 2104805

Formula: - C23 H30 N2 -
Comments: Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of Z' for packing in the absence of strong crystal synthons Acta Crystallographica Section B 66(4) (2010) 472-481
Space group: C 1 2 1
Cell volume: 3943.4
Cell parameters: 28.37; 6.6841; 21.6271; 90; 105.94; 90;

COD ID: 2104806

Formula: - Ge Sb6 Te10 -
Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Fujita, Tomoko; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Structural investigation of GeSb~6~Te~10~ and GeBi~6~Te~10~ intermetallic compounds in the chalcogenide homologous series Acta Crystallographica Section B 66(4) (2010) 407-411
Space group: R -3 m :H
Cell volume: 1577.41
Cell parameters: 4.236; 4.236; 101.5087; 90; 90; 120;

COD ID: 2104807

Formula: - Bi6 Ge Te10 -
Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Fujita, Tomoko; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki Structural investigation of GeSb~6~Te~10~ and GeBi~6~Te~10~ intermetallic compounds in the chalcogenide homologous series Acta Crystallographica Section B 66(4) (2010) 407-411
Space group: R -3 m :H
Cell volume: 1670.6
Cell parameters: 4.3515; 4.3515; 101.8739; 90; 90; 120;

COD ID: 2104808

Formula: - C10 H26 Ni O15 S2 -
Comments: Siegler, Maxime A.; Stavitski, Eli On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K Acta Crystallographica Section B 66(4) (2010) 430-440
Space group: C m c 21
Cell volume: 1976.51
Cell parameters: 17.8301; 7.4833; 14.8133; 90; 90; 90;

COD ID: 2104809

Formula: - C10 H26 Ni O15 S2 -
Comments: Siegler, Maxime A.; Stavitski, Eli On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K Acta Crystallographica Section B 66(4) (2010) 430-440
Space group: P b c 21
Cell volume: 1957.9
Cell parameters: 17.7219; 7.5069; 14.717; 90; 90; 90;

COD ID: 2104810

Formula: - C10 H26 Ni O15 S2 -
Comments: Siegler, Maxime A.; Stavitski, Eli On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K Acta Crystallographica Section B 66(4) (2010) 430-440
Space group: P b n 21
Cell volume: 3876.5
Cell parameters: 17.8198; 14.8945; 14.6052; 90; 90; 90;

COD ID: 2104811

Formula: - C36 H58 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P -1
Cell volume: 3212
Cell parameters: 15.7799; 19.394; 10.5789; 94.982; 95.188; 89.963;

COD ID: 2104812

COD ID: 2104813

Formula: - C36 H58 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P -1
Cell volume: 3242.9
Cell parameters: 15.85; 19.464; 10.596; 95.112; 95.102; 90.084;

COD ID: 2104814

Formula: - C36 H58 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P -1
Cell volume: 817.15
Cell parameters: 9.868; 9.9061; 9.9285; 77.626; 60.758; 76.286;

COD ID: 2104815

Formula: - C34 H31.98 I0.02 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P b c a
Cell volume: 4918.6
Cell parameters: 9.7668; 16.5318; 30.463; 90; 90; 90;

COD ID: 2104816

COD ID: 2104817

Formula: - C42 H50 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P 1 21 1
Cell volume: 3421.2
Cell parameters: 9.7954; 28.071; 12.519; 90; 96.349; 90;

COD ID: 2104818

Formula: - C30 H26 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P 1 21/c 1
Cell volume: 2101.5
Cell parameters: 15.8912; 15.343; 8.6285; 90; 92.68; 90;

COD ID: 2104819

COD ID: 2104820

Formula: - C36 H58 N2 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P b c a
Cell volume: 6589
Cell parameters: 16.495; 17.36; 23.009; 90; 90; 90;

COD ID: 2104821

Formula: - C36 H58 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P -1
Cell volume: 845.83
Cell parameters: 10.0239; 10.0397; 9.9982; 77.364; 60.735; 76.06;

COD ID: 2104822

Formula: - C34 H31.98 I0.02 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P b c a
Cell volume: 4916.77
Cell parameters: 9.7674; 16.534; 30.4455; 90; 90; 90;

COD ID: 2104823

Formula: - C34 H31.98 I0.02 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P b c a
Cell volume: 5047.2
Cell parameters: 9.888; 16.6917; 30.5802; 90; 90; 90;

COD ID: 2104824

Formula: - C34 H31.98 I0.02 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P b c a
Cell volume: 5049
Cell parameters: 9.8836; 16.7096; 30.5719; 90; 90; 90;

COD ID: 2104825

Formula: - C30 H26 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P 1 21/c 1
Cell volume: 2102.6
Cell parameters: 15.8991; 15.355; 8.622; 90; 92.677; 90;

COD ID: 2104826

Formula: - C30 H26 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P 1 21/c 1
Cell volume: 2175
Cell parameters: 15.99; 15.712; 8.6656; 90; 92.544; 90;

COD ID: 2104827

Formula: - C30 H26 -
Comments: Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N. Thermal motion of tert-butyl groups III. tert-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well Acta Crystallographica Section B 66(6) (2010) 622-638
Space group: P 1 21/c 1
Cell volume: 2171.13
Cell parameters: 15.9882; 15.7045; 8.6555; 90; 92.549; 90;

COD ID: 2104828

Formula: - H17.14 K3.52 Nb8 O30.32 -
Comments: Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N. Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~ Acta Crystallographica Section B 66(6) (2010) 594-602
Space group: F d -3 m :1
Cell volume: 1209.79
Cell parameters: 10.6554; 10.6554; 10.6554; 90; 90; 90;

COD ID: 2104829

Formula: - K0.71 Nb O3.5 -
Comments: Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N. Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~ Acta Crystallographica Section B 66(6) (2010) 594-602
Space group: F d -3 m :2
Cell volume: 1202.9
Cell parameters: 10.635; 10.635; 10.635; 90; 90; 90;

COD ID: 2104830

Formula: - K0.72 Nb O3.5 -
Comments: Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N. Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~ Acta Crystallographica Section B 66(6) (2010) 594-602
Space group: F d -3 m :2
Cell volume: 1206.2
Cell parameters: 10.645; 10.645; 10.645; 90; 90; 90;

COD ID: 2104831

Formula: - K0.67 Nb O3.5 -
Comments: Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N. Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~ Acta Crystallographica Section B 66(6) (2010) 594-602
Space group: F d -3 m :2
Cell volume: 1213.1
Cell parameters: 10.665; 10.665; 10.665; 90; 90; 90;

COD ID: 2104832
CIF file Original IUCr paper	Formula: - Cl2 H8 Mg O12 - Comments: Robertson, Kevin; Bish, David Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method Acta Crystallographica Section B 66(6) (2010) 579-584 Space group: C 1 2 1 Cell volume: 504.56 Cell parameters: 11.48059; 8.00253; 5.93697; 90; 112.328; 90;

COD ID: 2104833
CIF file Original IUCr paper	Formula: - Cl2 H4 Mg O10 - Comments: Robertson, Kevin; Bish, David Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method Acta Crystallographica Section B 66(6) (2010) 579-584 Space group: C 1 2/m 1 Cell volume: 387.89 Cell parameters: 14.38776; 5.21861; 5.43805; 90; 108.199; 90;

COD ID: 2104834

Formula: - C12 H9 N3 -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P 1 21/n 1
Cell volume: 979.2
Cell parameters: 5.6182; 26.8034; 6.951; 90; 110.693; 90;

COD ID: 2104835

Formula: - C12 H9 N3 -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P 1 21/n 1
Cell volume: 996.23
Cell parameters: 5.6598; 27.1299; 6.9417; 90; 110.83; 90;

COD ID: 2104836

Formula: - C10 H11 N3 O2 -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P 1 21/c 1
Cell volume: 992.4
Cell parameters: 4.7195; 16.9565; 12.6172; 90; 100.623; 90;

COD ID: 2104837

Formula: - C7 H5 N3 O2 -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P -1
Cell volume: 365.25
Cell parameters: 3.7639; 6.5389; 15.141; 80.829; 83.77; 86.189;

COD ID: 2104838

Formula: - C8 H8 N4 O -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P b c a
Cell volume: 3497.5
Cell parameters: 7.1342; 19.2898; 25.4147; 90; 90; 90;

COD ID: 2104839

Formula: - C6 H2 Cl3 N3 -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P 1 21 1
Cell volume: 403.902
Cell parameters: 3.7715; 13.1451; 8.3333; 90; 102.138; 90;

COD ID: 2104840

Formula: - C6 H3 Br2 N3 -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P 1 21/c 1
Cell volume: 3235.01
Cell parameters: 15.4939; 29.0284; 7.3042; 90; 100.024; 90;

COD ID: 2104841

Formula: - C6 H2 Br3 N3 -
Comments: Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi Direct observation of arylnitrene formation in the photoreaction of arylazide crystals Acta Crystallographica Section B 66(6) (2010) 639-646
Space group: P 1 21/n 1
Cell volume: 892.99
Cell parameters: 3.8918; 14.69; 15.6965; 90; 95.665; 90;

COD ID: 2104842

Formula: - C21 H20 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: C 1 c 1
Cell volume: 1915.57
Cell parameters: 19.9575; 10.0329; 9.9849; 90; 106.64; 90;

COD ID: 2104843

Formula: - C21 H20 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P 21 21 21
Cell volume: 1923.47
Cell parameters: 8.9705; 14.4208; 14.8689; 90; 90; 90;

COD ID: 2104844

Formula: - C21 H20 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P 1 21/c 1
Cell volume: 1919.7
Cell parameters: 10.854; 8.6662; 21.081; 90; 104.51; 90;

COD ID: 2104845

Formula: - C19 H28 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P -1
Cell volume: 908.51
Cell parameters: 9.1925; 10.1813; 11.3543; 110.816; 103.168; 103.37;

COD ID: 2104846

Formula: - C22 H22 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P -1
Cell volume: 992.76
Cell parameters: 8.0615; 10.3615; 13.5356; 72.503; 72.933; 70.506;

COD ID: 2104847

Formula: - C21 H20 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: C 1 c 1
Cell volume: 1908.1
Cell parameters: 19.892; 9.966; 10.068; 90; 107.06; 90;

COD ID: 2104848

Formula: - C21 H20 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P 21 21 21
Cell volume: 1937.79
Cell parameters: 8.9378; 14.5133; 14.9386; 90; 90; 90;

COD ID: 2104849

Formula: - C21 H20 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P 1 21/c 1
Cell volume: 1968
Cell parameters: 10.908; 8.7884; 21.24; 90; 104.87; 90;

COD ID: 2104850

Formula: - C19 H28 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P -1
Cell volume: 919.86
Cell parameters: 9.2356; 10.2844; 11.377; 111.073; 103.254; 103.553;

COD ID: 2104851

Formula: - C14 H16 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 1 21 1
Cell volume: 603.4
Cell parameters: 5.619; 10.0392; 10.7068; 90; 92.4862; 90;

COD ID: 2104852

Formula: - C14 H16 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 1 21 1
Cell volume: 620.41
Cell parameters: 7.8134; 6.5487; 12.1725; 90; 95.0641; 90;

COD ID: 2104853

Formula: - C14 H16 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 1 21 1
Cell volume: 643.73
Cell parameters: 8.0807; 6.6311; 12.0895; 90; 96.428; 90;

COD ID: 2104854

Formula: - C15 H18 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 43 21 2
Cell volume: 2626.85
Cell parameters: 7.8284; 7.8284; 42.8636; 90; 90; 90;

COD ID: 2104855

Formula: - C15 H18 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 21 21 21
Cell volume: 1343.47
Cell parameters: 10.1348; 10.9014; 12.1599; 90; 90; 90;

COD ID: 2104856

Formula: - C15 H18 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 21 21 21
Cell volume: 1366.66
Cell parameters: 10.149; 10.939; 12.31; 90; 90; 90;

COD ID: 2104857
CIF file Original IUCr paper	Formula: - C9 H8 O4 - Comments: Chan, E. J.; Welberry, T. R.; Heerdegen, A. P.; Goossens, D. J. Diffuse scattering study of aspirin forms (I) and (II) Acta Crystallographica Section B 66(6) (2010) 696-707 Space group: P 1 21/c 1 Cell volume: 858.58 Cell parameters: 12.2696; 6.5575; 11.496; 90; 68.163; 90;

COD ID: 2104858

Formula: - C11 H13 N3 O2 S2 -
Comments: Hangan, Adriana; Borodi, Gheorghe; Filip, Xenia; Tripon, Carmen; Morari, Cristian; Oprean, Luminita; Filip, Claudiu Structure of N-(5-ethyl-[1,3,4]-thiadiazole-2-yl)toluenesulfonamide by combined X-ray powder diffraction, ^13^C solid-state NMR and molecular modelling Acta Crystallographica Section B 66(6) (2010) 615-621
Space group: P b c a
Cell volume: 2740.91
Cell parameters: 8.5364; 15.0148; 21.3846; 90; 90; 90;

COD ID: 2104859

Formula: - C15 H21 Cl N2 S -
Comments: Plutecka, Agnieszka; Rychlewska, Urszula; Prusinowska, Natalia; Gawroński, Jacek Solid solution of two diastereomers of [3a(R,S),7a(R,S)]-3-[(1'R)-1-phenylethyl]perhydro-1,3-benzothiazol-2-iminium chloride Acta Crystallographica Section B 66(6) (2010) 678-686
Space group: P 31 2 1
Cell volume: 2306.59
Cell parameters: 9.0538; 9.0538; 32.4921; 90; 90; 120;

COD ID: 2104860

Formula: - Al12 Bi2 Ca6 O27 -
Comments: Pérez, O.; Malo, S.; Hervieu, M. The modulated structure of the calcium aluminate Ca~6~(AlO~2~)~12~·Bi~2~O~3~ Acta Crystallographica Section B 66(6) (2010) 585-593
Space group: X-3(00\g)0
Cell volume: 1829.4
Cell parameters: 17.3892; 17.3892; 6.986; 90; 90; 120;

COD ID: 2104861

Formula: - As2 O7 Zn2 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: C2/m(\a0\g)0s
Cell volume: 262.247
Cell parameters: 6.7248; 8.4605; 4.7791; 90; 105.319; 90;

COD ID: 2104862

Formula: - As2 Co2 O7 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: C-1(\a\b\g)0
Cell volume: 259.84
Cell parameters: 6.598; 8.523; 4.751; 89.3; 103.359; 88.771;

COD ID: 2104863

Formula: - As2 Ni2 O7 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: C1(\a\b\g)0
Cell volume: 251.68
Cell parameters: 6.499; 8.4276; 4.7223; 89.19; 103.28; 89.46;

COD ID: 2104864

Formula: - As2 O7 Zn2 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: C2/m(\a0\g)0s
Cell volume: 266.775
Cell parameters: 6.8601; 8.4366; 4.809; 90; 106.564; 90;

COD ID: 2104865

Formula: - C22 H22 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P -1
Cell volume: 1004.67
Cell parameters: 8.11; 10.3363; 13.6177; 72.377; 73.542; 70.583;

COD ID: 2104866

Formula: - C28 H25 N7 O4 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P 1 21/n 1
Cell volume: 2581.3
Cell parameters: 10.4763; 9.2909; 26.8857; 90; 99.468; 90;

COD ID: 2104867

Formula: - C21 H20 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P b c a
Cell volume: 3806.4
Cell parameters: 8.9331; 16.5714; 25.7127; 90; 90; 90;

COD ID: 2104868

Formula: - C19 H28 N4 O2 -
Comments: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation Acta Crystallographica Section B 66(6) (2010) 647-661
Space group: P -1
Cell volume: 927.11
Cell parameters: 9.0015; 9.3009; 11.8819; 107.909; 100.454; 91.613;

COD ID: 2104869

Formula: - C16 H11 N O3 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Rybarczyk-Pirek, Agnieszka; Morgenroth, Wolfgang; Paulmann, Carsten Electron density studies on hydrogen bonding in two chromone derivatives Acta Crystallographica Section B 66(6) (2010) 687-695
Space group: P b c a
Cell volume: 2561.4
Cell parameters: 12.925; 8.273; 23.954; 90; 90; 90;

COD ID: 2104870

Formula: - C17 H13 N O3 -
Comments: Małecka, Magdalena; Checińska, Lilianna; Rybarczyk-Pirek, Agnieszka; Morgenroth, Wolfgang; Paulmann, Carsten Electron density studies on hydrogen bonding in two chromone derivatives Acta Crystallographica Section B 66(6) (2010) 687-695
Space group: P 1 21/c 1
Cell volume: 1355
Cell parameters: 9.292; 14.145; 11.012; 90; 110.576; 90;

COD ID: 2104871

Formula: - As2 Mn2 O7 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: C 1 2/m 1
Cell volume: 276.57
Cell parameters: 6.7454; 8.7561; 4.8004; 90; 102.723; 90;

COD ID: 2104872

Formula: - As2 Co2 O7 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: P -1
Cell volume: 649.64
Cell parameters: 32.992; 5.3332; 8.9775; 58.472; 149.011; 126.976;

COD ID: 2104873

Formula: - As2 Ni2 O7 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: P 1
Cell volume: 377.6
Cell parameters: 19.497; 5.297; 8.868; 58.32; 148.78; 127.3;

COD ID: 2104874

Formula: - As2 O7 Zn2 -
Comments: Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates M~2~As~2~O~7~ (M = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B 66(6) (2010) 603-614
Space group: I 1 2/c 1
Cell volume: 1600.53
Cell parameters: 20.5802; 8.436; 9.618; 90; 106.564; 90;

COD ID: 2104875

Formula: - C15 H19 N2 O2.5 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 1 21 1
Cell volume: 2798.87
Cell parameters: 8.4202; 24.7788; 13.4204; 90; 91.673; 90;

COD ID: 2104876

Formula: - C30 H38 N4 O5 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 21 21 21
Cell volume: 2872.2
Cell parameters: 8.5217; 25.0552; 13.4521; 90; 90; 90;

COD ID: 2104877

Formula: - C15 H18 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 1 21 1
Cell volume: 4166.2
Cell parameters: 22.1154; 6.3963; 29.5771; 90; 95.266; 90;

COD ID: 2104878

Formula: - C16 H20 N2 O2 -
Comments: Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives Acta Crystallographica Section B 66(6) (2010) 662-677
Space group: P 1
Cell volume: 693.52
Cell parameters: 7.4277; 7.4388; 13.5369; 90.176; 79.737; 70.8;

COD ID: 2104879