Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2003155 | CIF Paper | Cl4 H18 K N6 O8 Ru | R -3 m :H | 6.965; 6.965; 27.333 90; 90; 120 | 1148.3 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003156 | CIF Paper | Cl4 H18 N6 O8 Rb Ru | R -3 m :H | 7.1392; 7.1392; 27.599 90; 90; 120 | 1218.2 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003157 | CIF Paper | Cl4 H18 N6 O8 Rb Ru | R -3 :H | 7.104; 7.104; 27.408 90; 90; 120 | 1197.9 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003158 | CIF Paper | Cl4 H18 N6 O8 Rb Ru | R -3 :H | 7.09; 7.09; 27.351 90; 90; 120 | 1190.7 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003159 | CIF Paper | Cl4 Cs H18 N6 O8 Ru | R -3 m :H | 7.311; 7.311; 27.513 90; 90; 120 | 1273.6 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003160 | CIF Paper | Cl4 Cs H18 N6 O8 Ru | R -3 :H | 7.29; 7.29; 27.282 90; 90; 120 | 1255.6 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003161 | CIF Paper | Cl4 Cr Cs H18 N6 O8 | R -3 m :H | 7.323; 7.323; 27.599 90; 90; 120 | 1281.7 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003162 | CIF Paper | Cl4 Cr Cs H18 N6 O8 | R -3 :H | 7.294; 7.294; 27.311 90; 90; 120 | 1258.3 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003163 | CIF Paper | Br2 Cl2 Cr Cs H18 N6 O8 | R -3 m :H | 7.413; 7.413; 27.78 90; 90; 120 | 1322.1 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003164 | CIF Paper | Br2 Cl2 Cr Cs H18 N6 O8 | R -3 :H | 7.369; 7.369; 27.578 90; 90; 120 | 1296.9 | Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B, 1998, 54, 613-625 |
| 2003165 | CIF HKL Paper | C22 H48 Cl2 N6 O8 Zn | C 1 2/c 1 | 10.191; 17.678; 17.754 90; 99.42; 90 | 3155 | Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn Acta Crystallographica Section B, 1999, 55, 380-388 |
| 2003166 | CIF HKL Paper | C22 H48 Cl2 N6 Ni O8 | C 1 2/c 1 | 10.177; 17.648; 17.605 90; 99.7; 90 | 3116.7 | Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn Acta Crystallographica Section B, 1999, 55, 380-388 |
| 2003173 | CIF Paper | Ca7 O36 Ta6 Zr7 | F d d d :2 | 36.394; 7.3674; 31.006 90; 90; 90 | 8313.6 | Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data Acta Crystallographica Section B, 1999, 55, 313-320 |
| 2017772 | CIF HKL Paper | Ga5.61 La3 O14 Ta0.41 | P 3 2 1 | 8.224; 8.224; 5.126 90; 90; 120 | 300.2 | Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B, 2010, 66, 497-502 |
| 2017773 | CIF HKL Paper | Ga5.34 La3 O14 Si0.36 Ta0.29 | P 3 2 1 | 8.195; 8.195; 5.118 90; 90; 120 | 297.7 | Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B, 2010, 66, 497-502 |
| 2017774 | CIF HKL Paper | Ga5.48 La3 O14 Ta0.03 Zr0.5 | P 3 2 1 | 8.256; 8.256; 5.141 90; 90; 120 | 303.5 | Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B, 2010, 66, 497-502 |
| 2017775 | CIF HKL Paper | C41 H77.77 N2 O15.88 | P 21 21 21 | 11.624; 16.748; 24.018 90; 90; 90 | 4675.8 | 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, 2010, 66, 568-577 |
| 2017776 | CIF Paper | C22 H8 Br2 O2 | P 1 21/c 1 | 3.865; 19.424; 10.113 90; 92.56; 90 | 758.5 | 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, 2010, 66, 515-526 |
| 2017777 | CIF Paper | C22 H8 I2 O2 | P 1 21/c 1 | 4.202; 20.956; 9.276 90; 100.63; 90 | 802.8 | 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, 2010, 66, 515-526 |
| 2017778 | CIF Paper | C22 H8 Cl2 O2 | P -1 | 3.795; 9.527; 10.662 105.78; 93.27; 95.26 | 368.04 | 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, 2010, 66, 515-526 |
| 2017779 | CIF Paper | C24 H30 N6 | P -1 | 9.697; 12.2426; 13.9365 87.182; 81.257; 82.062 | 1618.9 | 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, 2010, 66, 527-543 |
| 2017780 | CIF Paper | C24 H30 N6 | P -1 | 9.8236; 9.9337; 12.1088 92.421; 98.77; 107.011 | 1112 | 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, 2010, 66, 527-543 |
| 2017781 | CIF Paper | C76 H96 N20 O0.68 | P -1 | 12.2369; 12.5634; 13.0094 87.378; 68.153; 79.441 | 1824.4 | 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, 2010, 66, 527-543 |
| 2017782 | CIF Paper | C H6 N O3 P | P b c a | 8.977; 9.186; 10.003 90; 90; 90 | 824.9 | Janicki, Rafał; Starynowicz, Przemysław Charge density distribution in aminomethylphosphonic acid Acta Crystallographica Section B, 2010, 66, 559-567 |
| 2017783 | CIF HKL Paper | C19 H35 Cl P Rh | P 1 21/n 1 | 8.43502; 13.97075; 16.67516 90; 103.563; 90 | 1910.26 | 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^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl] Acta Crystallographica Section B, 2010, 66, 503-514 |
| 2017784 | CIF HKL Paper | C25 H41 Cl P Rh | P 1 21/n 1 | 10.21309; 15.82275; 14.64123 90; 97.7784; 90 | 2344.24 | 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^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl] Acta Crystallographica Section B, 2010, 66, 503-514 |
| 2019793 | CIF HKL | C11 H16 Cl N O2 | P c a 21 | 9.4272; 7.0774; 18.2519 90; 90; 90 | 1217.77 | Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019794 | CIF HKL | C11 H16 Cl N O2 | P c a 21 | 9.1478; 6.9826; 17.6799 90; 90; 90 | 1129.31 | Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019795 | CIF HKL | C11 H16 Cl N O2 | P c a 21 | 8.8661; 6.9379; 17.12 90; 90; 90 | 1053.1 | Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019796 | CIF HKL | C11 H16 Cl N O2 | P c a 21 | 8.4895; 6.8759; 16.6225 90; 90; 90 | 970.3 | Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019797 | CIF HKL | C11 H16 Cl N O2 | P c a 21 | 8.4043; 6.8578; 16.5271 90; 90; 90 | 952.54 | Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019798 | CIF HKL | C11 H16 Cl N O2 | P c a 21 | 8.3242; 6.8403; 16.447 90; 90; 90 | 936.49 | Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019799 | CIF HKL | C11 H16 Cl N O2 | P c a 21 | 8.3325; 6.814; 16.4416 90; 90; 90 | 933.5 | Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019910 | CIF HKL Paper | C10 H19 N5 O5 S | P -1 | 12.0229; 12.1092; 13.2095 98.921; 115.403; 108.241 | 1553.23 | Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019911 | CIF HKL Paper | C10 H16 N5 O5.75 S | P -1 | 10.2941; 10.9564; 14.3656 77.876; 86.712; 75.243 | 1531.84 | Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2019912 | CIF HKL Paper | C18 H22 N6 O5 S | P 1 21/c 1 | 7.8329; 15.2433; 17.7173 90; 101.925; 90 | 2069.78 | Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71 |
| 2020509 | CIF HKL Paper | C22 H23 N3 O4 | P 1 c 1 | 13.966; 12.991; 11.225 90; 100.931; 90 | 1999.6 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020510 | CIF HKL | C28 H33 N3 O8 | P 1 21/c 1 | 14.2922; 27.5; 7.0784 90; 90.467; 90 | 2782 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020511 | CIF HKL | C27 H33 N3 O9 | P -1 | 7.916; 14.012; 14.349 61.73; 79.64; 86.58 | 1378 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020512 | CIF HKL | C26 H31 N3 O9 | P 1 21/c 1 | 13.4269; 24.169; 8.0606 90; 92.41; 90 | 2613.5 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020513 | CIF HKL | C23 H27 N5 O5 | P c c n | 21.6051; 23.7024; 8.9076 90; 90; 90 | 4561.5 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020661 | CIF | H0.5 K1.5 Mg2 O7 Si2 | P 63/m c m | 5.0535; 5.0535; 13.2229 90; 90; 120 | 292.44 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 2020662 | CIF | H0 K1.5 Mg2 O7 Si2 | C m c m | 8.7623; 5.0703; 13.2505 90; 90; 90 | 588.69 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 2020711 | CIF HKL | F7 H12 Hf N3 | F m -3 m | 9.3964; 9.3964; 9.3964 90; 90; 90 | 829.63 | Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M. Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~ Acta Crystallographica Section B, 2017, 73, 1-9 |
| 2020712 | CIF HKL | F5 H12 N3 O2 Ti | F m -3 m | 9.2327; 9.2327; 9.2327 90; 90; 90 | 787.021 | Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M. Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~ Acta Crystallographica Section B, 2017, 73, 1-9 |
| 2020744 | CIF HKL Paper | C12 H9 F N2 O | P 1 21/n 1 | 9.7681; 10.5358; 10.574 90; 114.134; 90 | 993.1 | Sirohiwal, Abhishek; Hathwar, Venkatesha R.; Dey, Dhananjay; Regunathan, Roshni; Chopra, Deepak Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73 |
| 2020862 | CIF HKL Paper | C32 H22 Cu2 N0 O10 | P 42/m n m | 18.757; 18.757; 36.092 90; 90; 90 | 12698.1 | Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613-610 |
| 2020863 | CIF HKL | C32 H22 N0 Ni3.17 O16 | F m -3 m | 40.9779; 40.9779; 40.9779 90; 90; 90 | 68810 | Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613 |
| 2020864 | CIF HKL Paper | C16 H24 Br4 Cu N2 | C 1 2/c 1 | 17.6373; 9.4076; 14.7798 90; 118.396; 90 | 2157.27 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020865 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | P b c n | 16.9587; 7.8858; 13.8774 90; 90; 90 | 1855.87 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020866 | CIF HKL Paper | C14 H20 Br4 Cu N2 | C 1 2/c 1 | 14.551; 7.8249; 17.0624 90; 97.54; 90 | 1925.93 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020867 | CIF HKL Paper | C14 H20 Br4 Cu N2 | C 1 2/c 1 | 14.6041; 7.9883; 17.1986 90; 97.345; 90 | 1989.96 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020868 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | C 1 2/c 1 | 14.3451; 7.5569; 16.6038 90; 96.309; 90 | 1789.03 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020869 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | C 1 2/c 1 | 14.4831; 7.7267; 16.6432 90; 95.84; 90 | 1852.82 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020870 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | P b c n | 16.9411; 8.2218; 13.8212 90; 90; 90 | 1925.1 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020871 | CIF HKL Paper | C16 H24 Br4 Cu N2 | C 1 2/m 1 | 13.0879; 9.4953; 8.7957 90; 113.631; 90 | 1001.41 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020872 | CIF HKL Paper | C16 H24 Br4 Cu N2 | P -1 | 8.0517; 9.3247; 16.4524 75.997; 88.567; 65.757 | 1088.97 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020873 | CIF HKL Paper | C16 H24 Cl4 Cu N2 | C 1 2/m 1 | 12.9074; 9.2262; 8.6377 90; 114.925; 90 | 932.82 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020874 | CIF HKL Paper | C16 H24 Cl4 Cu N2 | C 1 2/m 1 | 13.191; 9.2068; 8.7242 90; 114.595; 90 | 963.4 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020875 | CIF HKL Paper | C16 H24 Cl4 Cu N2 | P -1 | 7.9236; 9.1502; 16.1341 75.409; 86.964; 64.493 | 1019.63 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020876 | CIF HKL Paper | C18 H28 Cl4 Cu N2 | P 1 21/c 1 | 6.4234; 22.4819; 8.4552 90; 116.314; 90 | 1094.49 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2021078 | CIF HKL | C251.4 H217.15 Cl0.2 F6 Fe6 N11.65 O22 | P 1 21/n 1 | 35.549; 21.056; 36.869 90; 115.485; 90 | 24912 | Becker, Sabine The crystal structure of [Fe2(PIMIC6)(AnthCO2)(CH3CN)]·[Fe2(PIMIC6)(AnthCO2)(CH3CN)0.9(CH2Cl2)0.1]·[Fe2(PIMIC6)(AnthCO2)(OH2)]·0.75CH3CN: a crystallographer's nightmare or a fascinating case of disorder? Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74 |
| 2021434 | CIF HKL Paper | O9 P2 Zr | P 1 21/n 1 | 8.3593; 4.91233; 13.8705 90; 101.296; 90 | 558.54 | Readman, Jennifer E.; Lennie, Alistair; Hriljac, Joseph A. In-situhigh-pressure powder X-ray diffraction study of α-zirconium phosphate Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2014, 70, 510-516 |
| 2021616 | CIF HKL | C2 Ba Ca O6 | C 1 2 1 | 6.6775; 5.0982; 4.19239 90; 109.259; 90 | 134.736 | Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn A new BaCa(CO3)2 polymorph Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75 |
| 2021771 | CIF HKL | C13 H16 N Na O5 | P 1 21/n 1 | 6.059; 37.243; 6.577 90; 105.12; 90 | 1432.8 | Krawczyk, Marta S.; Majerz, Irena The Na—O bond in sodium fenamate Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75 |
| 2021853 | CIF | C H6 I3 N Ne0.424 Pb | R -3 :H | 17.3128; 17.3128; 10.6019 90; 90; 120 | 2752 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021854 | CIF | C H6 I3 N Ne0.601 Pb | R -3 :H | 17.0325; 17.0325; 10.4338 90; 90; 120 | 2621.4 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021855 | CIF | C H6 I3 N Ne0.91 Pb | R -3 :H | 16.7757; 16.7757; 10.2267 90; 90; 120 | 2492.5 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021856 | CIF | C H6 I3 N Ne1.098 Pb | I m 2 m | 11.435; 11.437; 11.442 90; 90; 90 | 1496.4 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021857 | CIF | C0.25 I3 N0.25 Ne1.412 Pb | I m 2 m | 11.196; 11.197; 11.201 90; 90; 90 | 1404.2 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021858 | CIF | I3 Ne2.166 Pb | I 4/m m m | 10.701; 10.701; 10.622 90; 90; 90 | 1216.3 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021859 | CIF | I3 Ne2.5 Pb | I 4/m m m | 10.538; 10.538; 10.379 90; 90; 90 | 1152.6 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021860 | CIF | C H6 I3 N Ne0.973 Pb | I 4 2 2 | 8.876; 8.876; 12.672 90; 90; 90 | 998.34 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021861 | CIF | C H6 Ar0.756 I3 N Pb | P 42 b c | 8.85; 8.85; 12.52 90; 90; 90 | 980.6 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021862 | CIF | C H6 Ar I3 N Pb | P 42 b c | 8.7468; 8.7468; 12.398 90; 90; 90 | 948.5 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021863 | CIF | C H6 Ar1.337 I3 N Pb | P 42 b c | 8.7222; 8.7222; 11.9979 90; 90; 90 | 912.8 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021864 | CIF | C H6 Ar1.4 I3 N Pb | I m m m | 12.1294; 12.1415; 12.1734 90; 90; 90 | 1792.8 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021865 | CIF | C0.5 H6 Ar1.781 I3 N1.5 Pb | I m m m | 12.0192; 12.0195; 12.0213 90; 90; 90 | 1736.7 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021866 | CIF | C H6 Ar1.75 I3 N Pb | I m m m | 11.9; 11.99; 11.92 90; 90; 90 | 1700.8 | Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361 |
| 2021874 | CIF Paper | C40 H26 F10 N6 O6 S2 Zn | P -1 | 10.0901; 20.3099; 22.312 65.5992; 88.3686; 89.7419 | 4162.14 | Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43 |
| 2021875 | CIF Paper | C40 H26 Cl4 F6 N6 O6 S2 Zn | P -1 | 10.2008; 10.279; 21.6355 93.942; 91.113; 90.349 | 2262.7 | Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43 |
| 2021876 | CIF Paper | C40 H26 Br4 F6 N6 O6 S2 Zn | P -1 | 10.2631; 10.4481; 22.1315 83.959; 88.508; 89.483 | 2359.1 | Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43 |
| 2021877 | CIF Paper | C40 H26 F6 I4 N6 O6 S2 Zn | P -1 | 13.3328; 14.3957; 14.6008 95.972; 110.04; 99.907 | 2552.9 | Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43 |
| 2021878 | CIF Paper | C10 H13 Cl N2 O3 S | P 21 21 21 | 26.573; 4.8587; 8.8165 90; 90; 90 | 1138.3 | Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77 |
| 2021879 | CIF | C10 H13 Cl N2 O3 S | P 21 21 21 | 26.5733; 4.7178; 8.6406 90; 90; 90 | 1083.25 | Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77 |
| 2021880 | CIF | C10 H13 Cl N2 O3 S | P 21 21 21 | 26.605; 4.6688; 8.5711 90; 90; 90 | 1064.65 | Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77 |
| 2021881 | CIF | C10 H13 Cl N2 O3 S | P 21 21 21 | 26.6068; 4.6576; 8.5556 90; 90; 90 | 1060.24 | Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77 |
| 2021882 | CIF | C10 H13 Cl N2 O3 S | P 21 1 1 | 25.602; 4.634; 8.8525 99.109; 90; 90 | 1037.01 | Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77 |
| 2021883 | CIF | C10 H13 Cl N2 O3 S | P 21 1 1 | 25.522; 4.6023; 8.8298 99.477; 90; 90 | 1023 | Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77 |
| 2021884 | CIF Paper | H3.94 Li N0.984 O4 S Yb0.005 | P 1 21/c 1 | 17.856; 5.008; 10.264 90; 106.46; 90 | 880.2 | Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L. Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+ Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 122 |
| 2021885 | CIF | H3.843 Li N0.961 O4 S Yb0.013 | P 1 21/c 1 | 10.177; 5.106; 34.234 90; 90.2; 90 | 1779 | Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L. Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+ Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 122 |
| 2021886 | CIF | F5 H12 N3 O V | F m -3 m | 9.0522; 9.0522; 9.0522 90; 90; 90 | 741.76 | Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M. Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085 |
| 2021887 | CIF | F5 H12 N3 O V | I m m m | 6.2986; 9.1638; 18.9044 90; 90; 90 | 1091.15 | Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M. Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085 |
| 2021888 | CIF | F4 H12 N3 O2 V | I 2 2 2 | 6.2738; 9.1388; 18.8424 90; 90; 90 | 1080.33 | Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M. Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085 |
| 2021889 | CIF Paper | B2 O5 Sr2 | P 1 21/c 1 | 7.763; 5.3386; 11.875 90; 92.64; 90 | 491.62 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
| 2021890 | CIF Paper | B2 O5 Sr2 | P 1 21/c 1 | 3.882; 5.3386; 11.875 90; 92.64; 90 | 245.84 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
| 2021891 | CIF Paper | B2 O5 Sr2 | P -1 | 9.4662; 13.2754; 11.8671 88.815; 91.651; 91.473 | 1489.9 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
| 2021892 | CIF Paper | B2 O5 Sr2 | P -1 | 3.9001; 5.3685; 11.8671 89.994; 92.008; 90.038 | 248.32 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
| 2021893 | CIF Paper | B2 O5 Sr2 | P 1 21/c 1 | 3.9125; 5.3699; 11.8732 90; 91.849; 90 | 249.323 | Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056 |
| 2021894 | CIF | Cd113.75 Mg31.37 Yb24 | I m -3 | 15.7531; 15.7531; 15.7531 90; 90; 90 | 3909.29 | Yamada, Tsunetomo; Takakura, Hiroyuki; de Boissieu, Marc; Tsai, An-Pang Atomic structures of ternary Yb‒Cd‒Mg icosahedral quasicrystals and a 1/1 approximant Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1125 |
| 2021895 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.3457; 3.8195; 6.9699 90; 100.359; 90 | 297.12 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
| 2021896 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.337; 3.8244; 6.9946 90; 100.308; 90 | 298.37 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
| 2021897 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.3419; 3.8198; 7.0103 90; 100.298; 90 | 298.82 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
| 2021898 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6578; 8.922; 13.9144 90; 129.181; 90 | 1987.92 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021899 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6416; 8.9068; 13.9075 90; 129.118; 90 | 1983.77 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021900 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6339; 8.8975; 13.9054 90; 129.096; 90 | 1981.28 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021901 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.6096; 8.8814; 13.8865 90; 129.047; 90 | 1974.05 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021902 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5877; 8.8673; 13.8912 90; 128.997; 90 | 1970.88 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021903 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5748; 8.853; 13.8869 90; 128.962; 90 | 1966.83 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021904 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5719; 8.8396; 13.9003 90; 128.924; 90 | 1966.53 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021905 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5473; 8.8249; 13.8851 90; 128.914; 90 | 1959.04 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1–x trioxofluorophosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021906 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5418; 8.812; 13.8845 90; 128.89; 90 | 1956.23 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021907 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5237; 8.8033; 13.8813 90; 128.85; 90 | 1953.22 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021908 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5134; 8.7963; 13.8768 90; 128.806; 90 | 1951.27 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021909 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.4891; 8.7848; 13.8632 90; 128.781; 90 | 1945.18 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021910 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.5006; 8.7803; 13.8618 90; 128.797; 90 | 1944.64 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021911 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.4756; 8.7798; 13.8428 90; 128.764; 90 | 1940.4 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021912 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.463; 8.7767; 13.8368 90; 128.717; 90 | 1938.95 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021913 | CIF | C4 H11 F N5 O4 P | C 1 2/c 1 | 20.4273; 8.7714; 13.7988 90; 128.623; 90 | 1931.62 | Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114 |
| 2021914 | CIF Paper | C14 H14 N2 O4 | P -1 | 4.101; 11.892; 13.092 93.491; 97.769; 90.28 | 631.4 | Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32 |
| 2021915 | CIF | C13 H14 N2 O3 | P 1 21/c 1 | 4.7832; 11.6783; 21.859 90; 93.999; 90 | 1218.1 | Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32 |
| 2021916 | CIF Paper | C26 H28 N4 O6 | P -1 | 9.9374; 14.3212; 18.2929 72.196; 81.185; 82.068 | 2437.9 | Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32 |
| 2021917 | CIF Paper | C13 H13 N3 O4 | P 1 21 1 | 8.881; 6.0754; 11.995 90; 91.021; 90 | 647.1 | Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32 |
| 2021918 | CIF | C13 H12 N4 O6 | P 1 21/c 1 | 11.9565; 5.7973; 20.2355 90; 96.805; 90 | 1392.8 | Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32 |
| 2021919 | CIF | C12 H4 N4 | C 1 2/c 1 | 8.8782; 6.9117; 16.398 90; 98.288; 90 | 995.7 | Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71 |
| 2021920 | CIF | C12 H2 F2 N4 | P 1 21/c 1 | 9.8303; 5.4679; 19.2479 90; 102.417; 90 | 1010.4 | Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71 |
| 2021921 | CIF | C12 H2 F2 N4 | C 1 2/m 1 | 10.1713; 5.867; 8.8512 90; 106.969; 90 | 505.2 | Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71 |
| 2021922 | CIF | C12 F4 N4 | P b c a | 9.1905; 8.0558; 14.564 90; 90; 90 | 1078.3 | Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71 |
| 2021923 | CIF Paper | C3 H12 Bi Cl5 N2 | P c a 21 | 19.8403; 6.3303; 19.0314 90; 90; 90 | 2390.25 | Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.; Gamal, Wafia M.; Abdel-Kader, Mohamed; Ayoub, Hany S.; El-Sherif, Ashraf F.; Kandeel, M. F.; Bozhko, S.; Yakimov, E. E.; Yakimov, E. B. Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH3CH2CH(NH3)CH2]BiCl5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 880 |
| 2021924 | CIF | C18 H33 Eu5 O18 | I a -3 d | 28.7121; 28.7121; 28.7121 90; 90; 90 | 23669.8 | Abdallah, Amal; Ammar, Souad; Ban, Voraksmy; Sibille, Romain; Francois, Michel Ab initio structure determination of [Eu5(C2H4O2)6(CH3CO2)3] n by X-ray powder diffraction Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 592 |
| 2022007 | CIF | C H3 O3 | P 1 21/c 1 | 6.092; 3.4919; 11.8481 90; 103.898; 90 | 244.66 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022008 | CIF | C2 H2 N4 O3 | P 1 21/c 1 | 9.3255; 5.4503; 9.04 90; 101.474; 90 | 450.29 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022009 | CIF | C33 H23 N O | P 1 21/c 1 | 11.1055; 11.6712; 18.0627 90; 102.675; 90 | 2284.13 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022010 | CIF | C6 H14 N2 O7 | P 21 21 21 | 9.659; 9.672; 10.739 90; 90; 90 | 1003.26 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022011 | CIF | C7 H13 N O5 | P 21 21 21 | 9.902; 9.248; 10.166 90; 90; 90 | 930.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022012 | CIF | C41 H77.768 N2 O15.884 | P 21 21 21 | 11.624; 16.748; 24.018 90; 90; 90 | 4675.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022013 | CIF | C12 H14 N2 O4 | P 21 21 21 | 5.2951; 8.1213; 27.256 90; 90; 90 | 1172.09 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022014 | CIF | C3 H6 N6 O6 | P b c a | 11.379; 10.5694; 13.1314 90; 90; 90 | 1579.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022015 | CIF | C3 H7 N O3 | P 1 21/a 1 | 10.7764; 9.1947; 4.7788 90; 106.87; 90 | 453.13 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022016 | CIF | C9 H14 N2 O2 S | P -1 | 7.2934; 7.8145; 10.2181 87.055; 70.569; 72.898 | 524.22 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022017 | CIF | C14 H11 N O2 | P b c a | 11.827; 7.875; 23.504 90; 90; 90 | 2189.1 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022018 | CIF | C3 H7 N O2 | P 21 21 21 | 5.789; 5.9387; 12.2516 90; 90; 90 | 421.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022019 | CIF | C H3 O3 | P 1 21/c 1 | 6.0954; 3.4948; 11.8499 90; 103.939; 90 | 244.996 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022020 | CIF | C8 H16 N2 O3 S | P 1 21/c 1 | 13.089; 5.329; 15.921 90; 108.57; 90 | 1052.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022021 | CIF | C7 H13 N O5 | P 21 21 21 | 9.866; 9.25; 10.149 90; 90; 90 | 926.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022022 | CIF | C H3 O3 | P 1 21/c 1 | 6.095; 3.4881; 11.8462 90; 103.842; 90 | 244.54 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022023 | CIF | C13 H19 N3 O6 | P 21 21 21 | 7.984; 9.535; 18.352 90; 90; 90 | 1397.1 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022024 | CIF | C16 H11 N O3 | P b c a | 12.925; 8.273; 23.954 90; 90; 90 | 2561.4 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022025 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022026 | CIF | C2 H5 N3 O S | P 1 21/c 1 | 7.2359; 7.3713; 9.4768 90; 98.403; 90 | 500.05 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022027 | CIF | C6 H18 Cl2 N2 O4 | P 1 | 5.4491; 7.3962; 8.1337 79.382; 73.191; 69.544 | 292.75 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022028 | CIF | C7 H13 N O5 | P 21 21 21 | 9.853; 9.251; 10.145 90; 90; 90 | 924.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022029 | CIF | C7 H13 N O5 | P 21 21 21 | 9.884; 9.253; 10.155 90; 90; 90 | 928.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022030 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4541; 9.4918; 9.7287 90; 90; 90 | 688.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022031 | CIF | C17 H21 N O4 | P 21 21 21 | 7.431; 13.769; 14.944 90; 90; 90 | 1529 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022032 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.4954; 11.8455 90; 103.927; 90 | 245.096 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022033 | CIF | C H3 O3 | P 1 21/c 1 | 6.0939; 3.4965; 11.8441 90; 103.951; 90 | 244.92 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022034 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6558; 7.8903; 8.6069 90; 90; 90 | 452.002 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022035 | CIF | C4 H7 N3 O2 | P 1 21/c 1 | 7.7161; 9.8337; 7.5131 90; 100.523; 90 | 560.49 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022036 | CIF | C22 H36 N6 O7 | P 21 21 21 | 10.128; 12.486; 19.507 90; 90; 90 | 2466.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022037 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4587; 9.4928; 9.725 90; 90; 90 | 688.57 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022038 | CIF | C16 H17 N O2 | P 1 21/n 1 | 8.5755; 10.1627; 14.2676 90; 95.249; 90 | 1238.21 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022039 | CIF | C3 H6 N6 O6 | P b c a | 11.4425; 10.6106; 13.1558 90; 90; 90 | 1597.27 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022040 | CIF | C11 H21 N3 O5 | P 21 21 21 | 6.825; 9.042; 21.728 90; 90; 90 | 1340.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022041 | CIF | C H3 O3 | P 1 21/c 1 | 6.0937; 3.4929; 11.8533 90; 103.948; 90 | 244.85 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022042 | CIF | C4 H9 N O3 | P 21 21 21 | 9.1735; 11.4736; 5.4171 90; 90; 90 | 570.166 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022043 | CIF | C7 H13 N O5 | P 21 21 21 | 9.854; 9.249; 10.144 90; 90; 90 | 924.52 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022044 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022045 | CIF | C13 H19 N O5 | P 21 21 21 | 7.235; 13.056; 14.415 90; 90; 90 | 1361.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022046 | CIF | C18 H28 N4 O5 | P 1 21 1 | 9.598; 8.939; 12.17 90; 108.75; 90 | 988.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022047 | CIF | C8 H18 N2 O4 S | P b c a | 8.3222; 9.5441; 27.0123 90; 90; 90 | 2145.53 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022048 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.0104; 10.0398; 18.604 90; 97.32; 90 | 2039.77 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022049 | CIF | C H3 O3 | P 1 21/c 1 | 6.0889; 3.487; 11.8299 90; 103.93; 90 | 243.786 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022050 | CIF | C8 H8 N2 O2 | P -1 | 5.7913; 8.2458; 8.9223 116.823; 104.589; 91.602 | 362.99 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022051 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4871; 9.4966; 9.7078 90; 90; 90 | 690.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022052 | CIF | C6 H6 N12 O12 | P 1 21/n 1 | 8.789; 12.474; 13.279 90; 106.578; 90 | 1395.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022053 | CIF | C6 H8 O2 | C 1 2/m 1 | 12.402; 6.47; 6.321 90; 93.69; 90 | 506.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022054 | CIF | C H3 O3 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022055 | CIF | C H3 O3 | P 1 21/c 1 | 6.0903; 3.4959; 11.8348 90; 103.917; 90 | 244.579 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022056 | CIF | C19 H14 N2 O2 | P 21 21 21 | 7.875; 9.892; 18.843 90; 90; 90 | 1467.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022057 | CIF | C H6 N O3 P | P b c a | 8.977; 9.186; 10.003 90; 90; 90 | 824.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022058 | CIF | C5 H11 N4 O4 P | P 1 21/n 1 | 5.8389; 19.3579; 8.0338 90; 97.203; 90 | 900.88 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022059 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4583; 9.4892; 9.7301 90; 90; 90 | 688.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022060 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.497; 11.8494 90; 103.922; 90 | 245.294 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022061 | CIF | C9 H6 O S | P 21 21 21 | 4.0515; 10.1749; 17.6519 90; 90; 90 | 727.67 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022062 | CIF | C15 H26.269 N3 O7.634 | P 1 21 1 | 8.121; 9.299; 12.532 90; 91.21; 90 | 946.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022063 | CIF | C17 H30 F N3 O9 | P -1 | 9.507; 9.9649; 11.0233 94.182; 100.118; 91.432 | 1024.57 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022064 | CIF | C15 H29 N5 O6 | P 1 21 1 | 8.741; 9.42; 11.989 90; 95.49; 90 | 982.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022065 | CIF | C6 H16 Cl2 N2 O3 | P 1 21 1 | 8.6224; 7.0489; 9.8061 90; 106.486; 90 | 571.5 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022066 | CIF | C10 H14 N2 O5 | P 21 21 21 | 4.8462; 13.901; 16.316 90; 90; 90 | 1099.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022067 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.047; 10.129; 18.652 90; 97.223; 90 | 2070.5 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022068 | CIF | C H3 O3 | P 1 21/c 1 | 6.091; 3.4928; 11.8372 90; 103.901; 90 | 244.46 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022069 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 10.978; 10.006; 18.488 90; 97.223; 90 | 2014.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022070 | CIF | C5 H13 Cl N2 O2 | P 1 21 1 | 9.948; 7.9637; 4.9826 90; 83.13; 90 | 391.902 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022071 | CIF | C8 H17 N3 O5 | P 1 21 1 | 10.207; 4.78; 11.955 90; 101.39; 90 | 571.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022072 | CIF | C4 H4 N2 O S | P -1 | 4.2427; 5.9648; 10.5801 105.736; 94.912; 91.927 | 256.32 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022073 | CIF | C1.25 H3 O | I -4 | 6.0867; 6.0867; 8.4958 90; 90; 90 | 314.752 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022074 | CIF | C4 H3 N3 O | P n a 21 | 12.584; 9.699; 3.674 90; 90; 90 | 448.4 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022075 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.0299; 10.0921; 18.6365 90; 97.238; 90 | 2057.99 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022076 | CIF | C7 H6 O3 | P 1 21/c 1 | 4.8818; 11.2009; 11.2335 90; 92.621; 90 | 613.61 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022077 | CIF | C H3 O3 | P 1 21/c 1 | 6.0893; 3.4965; 11.8311 90; 103.883; 90 | 244.54 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022078 | CIF | C6 H16 N2 O6 | P 21 21 21 | 9.572; 10.039; 10.548 90; 90; 90 | 1013.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022079 | CIF | C2 H4 N4 O4 | P 1 21/n 1 | 6.922; 6.501; 11.262 90; 90.485; 90 | 506.77 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022080 | CIF | C13 H10 N2 O2 | P 1 21/c 1 | 13.659; 6.256; 12.862 90; 107; 90 | 1051 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022081 | CIF | C6 H15 Cl N2 O3 | P 21 21 21 | 5.4315; 9.8019; 17.3505 90; 90; 90 | 923.72 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022082 | CIF | C17 H27 N3 O6 | P 1 21 1 | 8.845; 9.057; 12.364 90; 94.56; 90 | 987.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022549 | CIF HKL Paper | C19 H14 N3 | P 1 21/n 1 | 10.4887; 6.9632; 19.8755 90; 99.441; 90 | 1431.94 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022550 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.416; 6.8137; 19.69 90; 99.691; 90 | 1377.49 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022551 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.3807; 6.743; 19.605 90; 99.757; 90 | 1352.4 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022552 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.3374; 6.629; 19.466 90; 99.78; 90 | 1314.6 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022553 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.3045; 6.5805; 19.408 90; 99.823; 90 | 1296.74 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022554 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.276; 6.5173; 19.3323 90; 99.826; 90 | 1275.73 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022555 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.2411; 6.4507; 19.247 90; 99.913; 90 | 1252.5 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022556 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.2225; 6.4019; 19.203 90; 99.864; 90 | 1238.1 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022557 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.1831; 6.3399; 19.111 90; 99.868; 90 | 1215.5 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022558 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.1864; 6.3323; 19.118 90; 99.822; 90 | 1215.1 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022559 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.1302; 6.2215; 18.955 90; 99.899; 90 | 1176.85 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022560 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0953; 6.1527; 18.8502 90; 99.934; 90 | 1153.29 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022561 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0607; 6.0918; 18.733 90; 99.951; 90 | 1130.8 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022562 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0326; 6.0553; 18.571 90; 100.029; 90 | 1111 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022563 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 10.0002; 6.0842; 18.352 90; 100.026; 90 | 1099.54 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022564 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 9.9832; 6.0752; 18.29 90; 100.005; 90 | 1092.4 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022565 | CIF HKL | C19 H14 N3 | P 1 21/n 1 | 9.9663; 6.0642; 18.252 90; 100.025; 90 | 1086.3 | Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon A first-order phase transition in Blatter's radical at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2022, 78 |
| 2022738 | CIF | C32 H24 Cl2 N8 O2 | P 1 21/c 1 | 16.5847; 12.3; 16.5847 90; 58.0757; 90 | 2871 | Gorelik, Tatiana E.; Bekő, Sàndor L; Teteruk, Jaroslav; Heyse, Winfried; Schmidt, Martin U. Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C<sub>32</sub>H<sub>24</sub>Cl<sub>2</sub>N<sub>8</sub>O<sub>2</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 122-137 |
| 2022874 | CIF HKL | Cs I4 | P 1 21/c 1 | 10.2847; 8.9809; 11.21 90; 114.598; 90 | 941.46 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022875 | CIF HKL | Cs I4 | P 1 21/c 1 | 10.1323; 8.88899; 11.0453 90; 114.957; 90 | 901.91 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022876 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.997; 8.8025; 10.9003 90; 115.28; 90 | 867.3 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022877 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.934; 8.7538; 10.8339 90; 115.517; 90 | 850.2 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022878 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.842; 8.7061; 10.7364 90; 115.68; 90 | 829.1 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022879 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.788; 8.6889; 10.66 90; 115.607; 90 | 817.6 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022880 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.7195; 8.6486; 10.59 90; 115.709; 90 | 802.07 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022881 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.637; 8.6017; 10.4967 90; 115.788; 90 | 783.46 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022882 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.6171; 8.5889; 10.4726 90; 115.81; 90 | 778.75 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022883 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.5973; 8.5648; 10.4284 90; 115.854; 90 | 771.4 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022884 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.4705; 8.5022; 10.2962 90; 115.934; 90 | 745.56 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022885 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.4109; 8.4696; 10.2258 90; 115.972; 90 | 732.75 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022886 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.3544; 8.4389; 10.1587 90; 115.998; 90 | 720.79 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022887 | CIF HKL | Cs I4 | P 1 21/c 1 | 9.2978; 8.4056; 10.0857 90; 116.015; 90 | 708.37 | Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed Deformation of polyiodides in Cs2I8 crystals at high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939 |
| 2022888 | CIF HKL Paper | C7 H9 N O2 | P b c a | 13.70079; 7.16238; 25.8688 90; 90; 90 | 2538.51 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022889 | CIF HKL Paper | C19 H21 N O6 | P 42/n :2 | 22.55; 22.55; 6.8267 90; 90; 90 | 3471.4 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022890 | CIF HKL Paper | C32 H36 N2 O10 | P 1 21 1 | 6.9488; 9.982; 20.881 90; 90.927; 90 | 1448.2 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022891 | CIF HKL Paper | C13 H15 N O4 | P b c a | 9.4231; 10.3938; 24.7171 90; 90; 90 | 2420.84 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022892 | CIF HKL Paper | C13 H15 N O4 | P 1 21/c 1 | 12.867; 9.55; 10.487 90; 110.761; 90 | 1205 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022893 | CIF HKL Paper | C10 H12 N O3 | P -1 | 6.83171; 7.09634; 10.01294 72.4243; 85.7351; 73.9285 | 444.659 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022894 | CIF HKL Paper | C20 H24 N2 O6 | P 1 21/n 1 | 11.71471; 7.32566; 22.0867 90; 100.608; 90 | 1863.04 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022895 | CIF HKL Paper | C13 H15 N O4 | P 1 21/n 1 | 7.13393; 18.2199; 9.1517 90; 95.4213; 90 | 1184.21 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022896 | CIF HKL Paper | C20 H24 N2 O7 | P b c a | 6.9983; 18.4416; 28.896 90; 90; 90 | 3729.31 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022897 | CIF HKL Paper | C20 H28 N2 O9 | P -1 | 7.9892; 10.197; 12.876 91.088; 93.874; 90.209 | 1046.4 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022898 | CIF HKL Paper | C19 H21 N O8 | C 1 2/c 1 | 28.0626; 9.2719; 14.6075 90; 107.081; 90 | 3633.13 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022899 | CIF HKL Paper | C19 H21 N O8 | P n a 21 | 14.592; 9.3121; 26.795 90; 90; 90 | 3641 | Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964 |
| 2022900 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.639; 8.3489; 6.4786 90.77; 101.94; 86.747 | 350.76 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2022901 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.55; 8.2005; 6.4337 90.367; 102.63; 86.784 | 336.68 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2022902 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.478; 8.0733; 6.3923 89.972; 103.3; 86.857 | 324.82 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2022903 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.465; 8.059; 6.388 89.922; 103.38; 86.859 | 323.3 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2022904 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.124; 7.6014; 6.8051 97.548; 107.416; 100.462 | 291.36 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2022905 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.095; 7.559; 6.7696 97.576; 107.579; 100.34 | 286.68 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2022906 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.071; 7.5224; 6.7393 97.606; 107.703; 100.254 | 282.75 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2022907 | CIF HKL Paper | B3 Ca H7 O9 | P -1 | 6.05; 7.4908; 6.7136 97.629; 107.773; 100.211 | 279.42 | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945 |
| 2023151 | CIF | C11 H8 N3 O5 Zn | C 1 2/c 1 | 35.421; 9.928; 7.1277 90; 95.396; 90 | 2495.4 | Farahmand Kateshali, Arash; Soleimannejad, Janet; Janczak, Jan Ultrasound-assisted synthesis of a Eu3±functionalized ZnII coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of HgII and L-Cys Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 208-218 |
| 2023223 | CIF HKL Paper | C36 H38.6 Cl2 Cu N8 O11.3 | P -1 | 8.8398; 9.9196; 12.8239 97.633; 93.948; 107.385 | 1056.59 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023224 | CIF HKL | C38 H40 Cl2 Cu N8 O10 | P -1 | 9.3557; 9.838; 13.0238 75.71; 89.649; 69.657 | 1084.99 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023225 | CIF HKL | C40 H44 Cl2 Cu N8 O10 | P -1 | 9.3377; 9.7888; 12.987 103.114; 90.344; 109.408 | 1086.13 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023226 | CIF HKL | C42 H48 Cl2 Cu N8 O10 | P -1 | 9.1329; 10.0787; 13.0825 103.496; 94.562; 105.229 | 1117.04 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023227 | CIF HKL | C44 H52 Cl2 Cu N8 O10 | P -1 | 9.4157; 9.9855; 13.6726 106.181; 96.455; 106.527 | 1157.64 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023228 | CIF HKL | C42 H46 Cl2 Cu N10 O10 | P -1 | 9.1544; 9.8343; 14.2557 91.493; 107.948; 109.075 | 1142.38 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023229 | CIF HKL | C42 H44 Cl2 Cu N8 O10 | P -1 | 9.4814; 9.7136; 13.3146 69.117; 80.66; 68.833 | 1067.61 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023230 | CIF HKL | C44 H48 Cl2 Cu N8 O10 | P 1 21/n 1 | 9.0943; 25.0287; 10.0253 90; 107.509; 90 | 2176.2 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023231 | CIF HKL Paper | C44 H48 Cl2 Cu N8 O12 | P -1 | 9.3679; 10.2347; 12.5311 79.661; 84.578; 73.249 | 1130.6 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023232 | CIF HKL Paper | C44 H48 Cl2 Cu N8 O12 | P -1 | 10.0363; 10.1867; 11.9902 83.078; 82.032; 70.015 | 1137.37 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023233 | CIF HKL Paper | C40 H42 Cl2 Cu N8 O9 | P -1 | 8.6577; 9.8396; 12.82 97.084; 93.897; 108.096 | 1023.61 | Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 347-359 |
| 2023289 | CIF HKL | Mn13 Zn126.044 | P 63/m m c | 12.9051; 12.9051; 57.6398 90; 90; 120 | 8313.3 | Mondal, Amit; Pan, Rahul; Kuila, Sandip Kumar; Dey, Riju; Jana, Partha Pratim Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80 |
| 2023290 | CIF HKL | Mn13 Zn126.103 | P 63/m m c | 12.9085; 12.9085; 57.6528 90; 90; 120 | 8319.6 | Mondal, Amit; Pan, Rahul; Kuila, Sandip Kumar; Dey, Riju; Jana, Partha Pratim Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80 |
| 2023307 | CIF HKL Paper | C4 H20 Br6 N4 Zn | P 1 21/m 1 | 6.394; 19.838; 6.668 90; 93.18; 90 | 844.5 | Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH3(CH2)2NH3]2[ZnBr4]Br2 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80 |
| 2023308 | CIF HKL Paper | C4 H20 Br6 N4 Zn | P 1 21/m 1 | 6.438; 19.945; 6.726 90; 93.16; 90 | 862.3 | Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH3(CH2)2NH3]2[ZnBr4]Br2 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80 |
| 2023309 | CIF HKL Paper | C17 H14 F6 S2 | P 1 21/c 1 | 12.047; 17.4; 16.281 90; 92.306; 90 | 3410 | Isobe, Mami; Kitagawa, Daichi; Kobatake, Seiya Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80 |
| 2100000 | CIF Paper | C22 H12 Cl2 N6 O4 | P -1 | 4.2753; 8.311; 14.092 107.23; 93.53; 97.17 | 471.9 | Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E. Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram Acta Crystallographica Section B, 2005, 61, 37-45 |
| 2100001 | CIF Paper | C22 H12 Cl2 N6 O4 | P -1 | 4.3346; 8.4193; 13.9057 106.947; 92.9106; 95.118 | 481.934 | Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E. Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram Acta Crystallographica Section B, 2005, 61, 37-45 |
| 2100002 | CIF | Ca F6 Tb | P 42/m | 5.2696; 5.2696; 7.7105 90; 90; 90 | 214.106 | Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10 |
| 2100003 | CIF | Cd F6 Tb | P 42/m | 5.1877; 5.1877; 7.69451 90; 90; 90 | 207.077 | Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10 |
| 2100004 | CIF | Cu0.63 O5 V2 | C 1 2/m 1 | 15.1; 3.6382; 10.0595 90; 105.585; 90 | 532.32 | Streltsov, Victor A.; Nakashima, Philip N. H.; Sobolev, Alexandre N.; Ozerov, Ruslan P. Crystal structure study of a β'-copper vanadium bronze, Cu~x~V~2~O~5~ (x= 0.63), by X-ray and convergent beam electron diffraction Acta Crystallographica, Section B: Structural Science, 2005, 61, 17-24 |
| 2100005 | CIF HKL Paper | C6 H11 N O2 | P n 21 a | 10.8548; 9.752; 6.1152 90; 90; 90 | 647.331 | Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid Acta Crystallographica Section B, 2005, 61, 96-102 |
| 2100006 | CIF Paper | C6 H11 N O2 | P 21 21 21 | 11.7537; 10.1013; 5.5787 90; 90; 90 | 662.35 | Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid Acta Crystallographica Section B, 2005, 61, 96-102 |
| 2100007 | CIF Paper | C16 H16 N4 | P n a 21 | 19.499; 4.7884; 15.106 90; 90; 90 | 1410.4 | Eugenia V. Peresypkina; Mark B. Bushuev; Alexander V. Virovets; Victor P. Krivopalov; Ludmila G. Lavrenova; Stanislav V. Larionov Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B, 2005, 61, 164-173 |
| 2100008 | CIF HKL Paper | C16 H16 Cl2 Cu N4 | P 1 21/c 1 | 7.2156; 11.6522; 20.3956 90; 99.841; 90 | 1689.58 | Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V. Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B, 2005, 61, 164-173 |
| 2100009 | CIF HKL Paper | C16 H16 Cl2 Cu N4 | P b c a | 11.6899; 14.9843; 19.2115 90; 90; 90 | 3365.2 | Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V. Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B, 2005, 61, 164-173 |
| 2100010 | CIF Paper | C16 H16 Cl2 Cu N4 | P 1 21/n 1 | 9.7652; 18.7631; 9.8115 90; 108.544; 90 | 1704.38 | Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V. Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B, 2005, 61, 164-173 |
| 2100011 | CIF HKL Paper | C14 H10 Cr N2 | P 1 21/n 1 | 7.73; 12.0887; 11.1762 90; 91.683; 90 | 1043.92 | Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu. Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring Acta Crystallographica Section B, 2005, 61, 304-311 |
| 2100012 | CIF HKL Paper | C14 H13 Cr N | P b c a | 12.9628; 12.0803; 13.61 90; 90; 90 | 2131.3 | Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu. Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring Acta Crystallographica Section B, 2005, 61, 304-311 |
| 2100013 | CIF HKL Paper | C14 H10 Cr F3 N | P 1 21/c 1 | 9.7145; 7.8227; 15.74 90; 98.276; 90 | 1183.7 | Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu. Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring Acta Crystallographica Section B, 2005, 61, 304-311 |
| 2100014 | CIF | C H2 Cl2 | P b c n | 3.984; 7.863; 9.357 90; 90; 90 | 293.12 | Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane Acta Crystallographica, Section B, 2005, 61, 595-600 |
| 2100015 | CIF | C H2 Cl2 | P b c n | 3.924; 7.793; 9.335 90; 90; 90 | 285.46 | Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane Acta Crystallographica, Section B, 2005, 61, 595-600 |
| 2100016 | CIF Paper | C18 H26 O | P -1 | 9.883; 11.579; 15.089 75.71; 73.51; 74.46 | 1567.67 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100017 | CIF Paper | C16 H18 Cl2 N6 O8 Pd | P -1 | 14.89; 7.968; 4.844 81.51; 84.22; 82.93 | 562.091 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100018 | CIF Paper | C48 H70 I N11 O13 | C 1 2 1 | 40.254; 12.53; 11.134 90; 98.48; 90 | 5554.4 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100019 | CIF Paper | C20 H44 O4 Sn2 | P -1 | 6.1757; 9.5349; 11.118 74.89; 81.36; 85.96 | 624.537 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100020 | CIF Paper | C30 H23 Cl3 N2 O P Re S | P -1 | 10.369; 11.459; 13.787 91.08; 89.92; 106.98 | 1566.44 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100021 | CIF Paper | C32 H42 O6 Ti2 | C 1 2 1 | 23.2475; 7.9835; 23.097 90; 132.93; 90 | 3138.68 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100022 | CIF Paper | C22 H40 N6 Ni O2 | P -1 | 8.278; 8.8263; 9.1436 68.31; 70.64; 76 | 580.208 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100023 | CIF Paper | C28 H70 Cu3 F12 N8 O20 S4 | P -1 | 10.345; 10.72; 13.619 80.4; 71.41; 85.14 | 1410.67 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100024 | CIF Paper | C22.5 H28 N5 O1.5 S3 | P -1 | 10.1701; 12.2024; 12.395 75.76; 69.47; 73.75 | 1364.14 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100025 | CIF Paper | C44 H50 Cl2 N6 O8 Pd | P -1 | 7.9009; 9.3964; 15.9253 77.99; 77.34; 82.23 | 1123.32 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100026 | CIF Paper | C32 H64 B2 Ga2 O2 | P -1 | 9.209; 10.184; 10.503 69.55; 67.75; 77.23 | 849.734 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100027 | CIF Paper | C90 H98 B2 N2 Ni P4 | P -1 | 13.581; 13.11; 13.483 118.45; 116.09; 80.22 | 1893.23 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100028 | CIF Paper | C40 H46 N2 O14 | P -1 | 7.705; 10.871; 11.54 100.4; 91.38; 98.01 | 940.243 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100029 | CIF Paper | C10 H36 Cl2 Nd2 O20 | P -1 | 7.877; 8.781; 10.444 110.69; 95.24; 103.48 | 645.094 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100030 | CIF Paper | C35 H56 Si Sm | P -1 | 9.6021; 10.066; 18.8579 75.47; 79.54; 67.68 | 1624.62 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100031 | CIF Paper | C42 H54 N4 | P -1 | 11.915; 12.05; 13.544 105.67; 99.14; 93.4 | 1837.83 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100032 | CIF Paper | C7 H6 N2 O5 | C 1 c 1 | 3.854; 14.985; 14.476 90; 93.03; 90 | 834.852 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100033 | CIF Paper | C34 H52 Cl2 N2 O6 | P -1 | 8.909; 9.158; 11.841 73.41; 76.51; 80.38 | 895.079 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100034 | CIF Paper | C32 H54 Ca2 O39 S24 Te W6 | P -1 | 10.982; 16.604; 22.314 106.29; 95.71; 91.74 | 3878.88 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100035 | CIF Paper | C44 H44 N2 O6 | P -1 | 10.3654; 12.1845; 7.5077 92.5; 97.77; 93.56 | 936.385 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100036 | CIF Paper | C50 H44 N2 O6 | P -1 | 11.278; 11.879; 7.9492 95.74; 97.15; 102.08 | 1024.53 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100037 | CIF Paper | C12 H14 Cl8 N2 Sb2 | P -1 | 5.7068; 9.3857; 11.7427 66.77; 89.3; 78.68 | 565.246 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100038 | CIF Paper | C18 H44 Fe N15 Ni2 O5 | P -1 | 8.9298; 9.9353; 10.1319 85.91; 65.12; 81.74 | 806.959 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100039 | CIF Paper | C22 H20 F6 Fe P Ru | P -1 | 9.35; 10.777; 10.98 91.84; 96.66; 111.12 | 1021.85 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100040 | CIF Paper | C33 H33 N Si | R 3 | 24.95; 24.95; 10.878 90; 90; 120 | 5864.36 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100041 | CIF Paper | C36 H32 Ag2 Cl2 N4 O8 S4 | P -1 | 8.1587; 8.4447; 14.745 87.31; 82.64; 72.72 | 962.01 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100042 | CIF Paper | C49 H35 Cl12 F7 O7 Sb2 Zn | P -1 | 11.4503; 11.8509; 14.6041 66.25; 67.06; 74.78 | 1657.29 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100043 | CIF Paper | C14 H16 N4 O4 | P -1 | 6.591; 8.541; 14.062 98.24; 95.42; 97.08 | 772.374 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100044 | CIF Paper | C38 H30 Cl2 O2 P2 Ru | P -1 | 9.0866; 10.3456; 11.003 108.29; 113.67; 100.07 | 843.934 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100045 | CIF Paper | C32 H78 N6 Ni2 O22 | P -1 | 9.829; 10.796; 11.473 95.39; 98.82; 93.07 | 1194.87 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100046 | CIF Paper | C56 H50 N2 O2 Ti | C 1 c 1 | 10.912; 21.334; 19.529 90; 106.02; 90 | 4369.73 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100047 | CIF Paper | C68 H80 Fe2 P2 Pt S4 | P -1 | 10.2709; 11.1981; 14.226 95.84; 101.31; 93.95 | 1589.46 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100048 | CIF Paper | C18 H16 O4 | P 21 21 21 | 16.047; 19.51; 4.8643 90; 90; 90 | 1522.9 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100049 | CIF Paper | C20 H44 N6 Si2 Zr | P -1 | 9.61; 11.869; 12.58 80.98; 76.26; 88.22 | 1376.56 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100050 | CIF Paper | C32 H70 Cl2 N6 O10 Zn | P -1 | 9.7472; 9.8061; 12.046 66.69; 76.81; 87.93 | 1027.61 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100051 | CIF Paper | C12 H17 N3 O2 S | P -1 | 8.119; 9.064; 9.629 100.43; 101.67; 96.33 | 674.508 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100052 | CIF Paper | C68 H144 Cr2 N2 O7 | P -1 | 34.33; 7.8; 7.25 103.69; 89.86; 94.13 | 1881.1 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100053 | CIF Paper | C62 H104 P4 Pt2 | P -1 | 11.781; 12.004; 24.366 89.36; 76.46; 114.07 | 3036.59 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100054 | CIF Paper | C26 H32 Cl Cu N4 O4 | P -1 | 11.956; 12.073; 10.379 106.49; 106.11; 99.27 | 1332.52 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100055 | CIF Paper | C34 H25 N O2 | P -1 | 11.683; 13.927; 9.004 102.1; 110.74; 105.05 | 1247.15 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100056 | CIF Paper | C23.5 H19 Cl Mo N2 O2 | P -1 | 8.673; 10.3368; 12.355 96.58; 98.95; 100.32 | 1064.82 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100057 | CIF Paper | C44 H60 N10 Nd2 O24 S2 | P -1 | 8.541; 11.915; 15.906 107.22; 98.12; 99.78 | 1491.79 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100058 | CIF Paper | C54 H48 Br8 Mo6 N6 O4 P2 | P -1 | 11.627; 11.853; 14.234 71.82; 67.59; 62.75 | 1589.54 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100059 | CIF Paper | C54 H72 N4 O4 Zn2 | P -1 | 8.862; 12.6561; 12.8004 107.61; 96.48; 103.36 | 1305.25 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100060 | CIF Paper | C50 H64 N4 O4 Zn2 | P -1 | 10.9851; 11.0493; 11.0703 109.1; 94.37; 107.8 | 1185.52 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100061 | CIF Paper | C42 H32 S4 Sn2 | P -1 | 6.526; 9.815; 16.821 87.2; 87.21; 71.13 | 1017.69 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100062 | CIF Paper | C46 H45 B Cl4 N2 O Pd | P -1 | 12.868; 13.682; 13.831 91.02; 91.61; 117.97 | 2148.48 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100063 | CIF Paper | C71 H76 O8 Ti2 | P -1 | 11.037; 12.215; 12.659 73.7; 70.09; 78.34 | 1529.37 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100064 | CIF Paper | C12 H28 N4 O2 P2 | P -1 | 8.724; 8.341; 6.335 98.15; 85.6; 105.51 | 439.341 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100065 | CIF Paper | C44 H32 N4 Ni5 S50 | P -1 | 12.939; 20.379; 8.807 102.07; 103.17; 74.04 | 2147.25 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100066 | CIF Paper | C28 H44 Cu F6 O10 | P -1 | 9.762; 9.861; 10.409 107.14; 111.35; 94.39 | 872.56 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100067 | CIF Paper | C8 H22 Cl2 O5 Ru S4 | P -1 | 8.863; 14.462; 7.543 103.39; 113.31; 77.23 | 854.676 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100068 | CIF Paper | C52 H44 Cd N4 O4 | P -1 | 11.327; 11.614; 9.845 102.59; 114.16; 65.5 | 1073.47 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100069 | CIF Paper | C18 H42 Fe N6 O6 S6 W2 | P -1 | 8.778; 9.467; 11.362 71.51; 74.78; 74.78 | 847.307 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100070 | CIF Paper | C85 H85 B Cl3 Cs O10 | P -1 | 13.7451; 16.314; 17.1382 91.16; 93.15; 100.34 | 3773.13 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100071 | CIF Paper | C16 H15 N3 O2 | P -1 | 9.2694; 9.4267; 9.6076 76; 62.89; 89.87 | 719.391 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100072 | CIF Paper | C18 H32 N11 O11 Pr | P -1 | 10.19; 10.631; 14.062 82.49; 69.36; 83.35 | 1409.33 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100073 | CIF Paper | C46 H46 O8 | I -4 | 19.86; 19.86; 4.953 90; 90; 90 | 1953.56 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100074 | CIF Paper | C68 H94 N8 O2 Si3 | P -1 | 10.0622; 12.4188; 13.788 92.86; 107.29; 94.75 | 1634.42 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100075 | CIF Paper | C52 H62 N8 O2 Si3 | P -1 | 9.758; 9.974; 13.562 78.85; 73.69; 78.88 | 1229.38 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100076 | CIF Paper | C13 H14 N2 O5 S | C 1 c 1 | 8.016; 14.258; 12.6 90; 104.35; 90 | 1395.15 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100077 | CIF Paper | C82.5 H105.5 N6.5 O6.5 | P -1 | 14.692; 16.59; 19.134 73.51; 73.22; 66.77 | 4025.84 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100078 | CIF Paper | C21 H46 Cl12 N O2.5 Te6 | C 1 c 1 | 12.426; 22.219; 8.782 90; 94.63; 90 | 2416.74 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100079 | CIF Paper | C13 H21 Cl N2 O5 S | C 1 2 1 | 19.127; 6.897; 15.147 90; 119.85; 90 | 1733.08 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100080 | CIF Paper | C38 H39 Mo N O4 P2 | C 1 m 1 | 13.796; 16.637; 9.462 90; 124.43; 90 | 1791.3 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100081 | CIF Paper | C16 H24 O2 | P -1 | 13.514; 23.4672; 7.658 90.91; 100.4; 77.78 | 2333.97 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100082 | CIF Paper | C30 H26 B2 Cu F18 N12 | P -1 | 10.2686; 10.828; 11.4112 113.56; 99.74; 111.22 | 1008.39 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100083 | CIF Paper | C14 H16 Co N6 O4 S2 | P -1 | 8.264; 7.57; 9.018 69.93; 106.98; 113.32 | 478.561 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100084 | CIF Paper | C48 H50 Ag2 F6 N2 O6 P2 | P -1 | 9.7472; 9.5883; 15.104 83.85; 73.8; 62.91 | 1206.51 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100085 | CIF Paper | C32 H52 P2 Pt | P -1 | 8.238; 9.677; 10.806 66.07; 77.7; 89.39 | 766.549 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100086 | CIF Paper | C13 H25 O10.5 | C 1 2 1 | 21.735; 4.93; 17.386 90; 123.5; 90 | 1553.51 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100087 | CIF Paper | C40 H28 Cl2 O2 S2 | P -1 | 9.997; 10.092; 9.13 82.91; 114.09; 93.65 | 834.379 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100088 | CIF Paper | C38 H72 Cl8 Mo6 N8 O6 | P -1 | 12.006; 12.084; 12.143 61.97; 75.97; 76.53 | 1494.04 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100089 | CIF Paper | C44 H84 Br8 Mo6 N8 O2 Se6 | P -1 | 11.014; 12.716; 13.323 78.48; 81.92; 83.11 | 1802.06 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100090 | CIF Paper | C23 H19 N O3 | P -1 | 8.057; 9.367; 13.226 80.7; 73.44; 84.75 | 943.097 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100091 | CIF Paper | C20 H29 N O4 | C 1 2 1 | 17.138; 9.998; 13.404 90; 119.2; 90 | 2004.86 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100092 | CIF Paper | C17 H14 N2 O3 | P -1 | 8.153; 8.96; 10.443 73.57; 82.87; 74.41 | 703.843 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100093 | CIF Paper | C10 H12 I N3 O | P -1 | 7.504; 8.959; 9.586 104.2; 109.3; 89.9 | 587.428 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100094 | CIF Paper | C22 H32 Cd N6 O8 S2 | P -1 | 11.0107; 11.2093; 11.8222 86.9; 68.26; 80.62 | 1337.19 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100095 | CIF Paper | C60 H66 Cu2 N3 O12 | P -1 | 11.912; 13.626; 10.04 95.03; 114.8; 73.58 | 1418.11 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100096 | CIF Paper | C60 H48 N4 O4 P4 S4 | P -1 | 9.165; 12.509; 13.587 109.57; 96.12; 106.49 | 1371.82 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100097 | CIF Paper | C30 H26 Cu N4 O4 | P -1 | 7.093; 8.662; 11.335 75.96; 76.4; 89.52 | 655.794 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100098 | CIF Paper | C26 H32 Cu N4 O4 | P -1 | 10.167; 10.377; 13.337 70.46; 70.96; 86.74 | 1251.35 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100099 | CIF Paper | C17 H20 N2 O2 | P -1 | 9.212; 13.454; 6.69 82.19; 111.22; 109.42 | 728.84 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100100 | CIF Paper | C21 H30 O3 | P -1 | 8.038; 10.391; 12.299 100.51; 107.29; 104.9 | 909.795 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100101 | CIF Paper | C63 H49 Cl F6 N3 O2 P3 Ru S | P -1 | 13.852; 14.375; 16.522 108.34; 109.94; 92.57 | 2892.59 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100102 | CIF Paper | C45 H30 Au Fe O P | P -1 | 9.7888; 12.6542; 14.9629 88.49; 74.93; 86.03 | 1785.34 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100103 | CIF Paper | C41 H34 Cl O5 P2 Rh | P -1 | 9.233; 9.5526; 11.657 109.93; 108.35; 96.83 | 887.436 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100104 | CIF Paper | C34 H32 Fe N2 O5 | P -1 | 9.396; 10.246; 16.126 99.33; 101.5; 106.72 | 1416.59 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100105 | CIF Paper | C46 H38 Cu2 I2 N2 P2 | P -1 | 9.2279; 9.4014; 13.3663 107.44; 106.71; 93.48 | 1045.8 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100106 | CIF Paper | C26 H28 Ag2 Cl2 N4 O8 | P -1 | 9.045; 9.658; 9.949 66.18; 68.22; 69.59 | 717.804 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100107 | CIF Paper | C70 H86 Cl2 N4 O7 P2 Rh2 | P -1 | 10.3194; 10.5582; 17.3713 97.01; 94.35; 112.15 | 1724.54 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100108 | CIF Paper | C54 H50 N3 O4 P2 Rh | P -1 | 9.3586; 11.0979; 12.374 73.71; 71.41; 80.67 | 1165.48 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100109 | CIF Paper | C30 H26 F6 Mo2 N8 O4 | P -1 | 9.0803; 9.9731; 10.9741 64.44; 83.61; 67.1 | 823.963 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100110 | CIF Paper | C6 H8 Mn N2 O6 S | P 1 21 1 | 8.4549; 6.6221; 9.0743 90; 91.57; 90 | 507.872 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100111 | CIF Paper | C8 H25 Cl5 Co N5 Zn | P -1 | 9.3281; 9.5426; 11.448 105.56; 92.96; 106.29 | 933.365 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100112 | CIF Paper | C6 H34 B12 N2 O28 Zn | P -1 | 8.3014; 9.2489; 10.442 106.71; 94.22; 100.02 | 749.635 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100113 | CIF Paper | C24 H34 N3 O2 Re S3 | P -1 | 9.3604; 11.044; 13.823 89.19; 74.5; 75.04 | 1328.02 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100114 | CIF Paper | C42 H26 Co3 N4 O14 | P -1 | 7.7709; 10.572; 12.178 88.49; 77.97; 69.84 | 917.423 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100115 | CIF Paper | C24 H29 N O5 S | P -1 | 10.3108; 12.1191; 12.307 62.14; 66.18; 89.93 | 1209.9 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100116 | CIF Paper | C29 H30 O3 S | P 1 21/c 1 | 14.935; 6.618; 25.302 90; 100.4; 90 | 2459.76 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100117 | CIF Paper | C48 H44 N8 Ni2 O8 | P -1 | 9.1818; 9.7958; 12.8848 90.24; 90.02; 90.38 | 1158.86 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100118 | CIF Paper | C11 H16 Cl2 Hg N4 | P -1 | 7.865; 9.282; 11.6 67.21; 70.85; 79.36 | 735.906 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100119 | CIF Paper | C42 H42 Cl2 Cu2 N12 O15 | P -1 | 9.599; 11.206; 12.48 73.22; 77.84; 76.88 | 1236.47 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100120 | CIF Paper | C42 H42 B2 Cu2 F8 N12 O7 | P -1 | 9.6285; 11.1703; 12.3806 73.81; 78.15; 76.59 | 1229.71 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100121 | CIF Paper | C2 H8 O Si | P n a 21 | 29.207; 4.524; 7.339 90; 90; 90 | 969.72 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100122 | CIF Paper | C36 H37 Co F12 O2 | P -1 | 8.979; 10.651; 10.736 100.77; 99.56; 114.06 | 886.797 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100123 | CIF Paper | C41.5 H41 N4 Ni O4.5 | P -1 | 11.376; 12.09; 14.155 91.53; 104.32; 105.6 | 1807.76 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100124 | CIF Paper | C34 H34 Cl2 Cu2 N8 S2 | P -1 | 7.544; 11.099; 12.258 65.92; 72.26; 76.24 | 884.857 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100125 | CIF Paper | C40 H36 Co N10 O4 S2 | P -1 | 9.9613; 10.5477; 11.0869 65.2; 71.95; 74.36 | 992.174 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100126 | CIF Paper | C20 H25 Cl Fe N5 O7 | P -1 | 8.8643; 11.1566; 12.3585 99.89; 104.14; 90.07 | 1166.36 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100127 | CIF Paper | C48 H38 N12 | P -1 | 10.307; 12.671; 17.474 72.9; 82.82; 68.48 | 2028.79 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100128 | CIF Paper | C11 H10 Cl Cu N3 O2 | P -1 | 7.2685; 9.0937; 9.7803 74.54; 84.6; 72.68 | 594.735 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100129 | CIF | C27 H30 N8 O4 | P -1 | 8.7035; 12.496; 13.7034 63.416; 89.997; 78.22 | 1297.62 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100130 | CIF | C23 H27 N7 O3 | C 1 2/c 1 | 33.9318; 5.025; 30.4072 90; 122.689; 90 | 4363.47 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100131 | CIF | C25 H36 Cl N9 O6 | P -1 | 10.533; 11.1912; 14.2829 85.532; 81.842; 63.019 | 1485.02 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100132 | CIF | C24 H33 N7 O5 | P 1 21/a 1 | 10.4021; 15.3698; 16.6432 90; 99.085; 90 | 2627.5 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100133 | CIF Paper | C12 H17 N O6 | P 1 21 1 | 6.3425; 13.9448; 7.5021 90; 107.66; 90 | 632.25 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100134 | CIF Paper | C12 H17 N O6 | P 1 21 1 | 7.3025; 22.8901; 8.1193 90; 96.599; 90 | 1348.19 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100135 | CIF Paper | C12 H17 N O6 | P 1 21 1 | 7.2952; 22.8935; 8.11 90; 96.603; 90 | 1345.49 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100136 | CIF Paper | C20 H28 N2 O6 | P 1 21 1 | 5.562; 16.063; 11.826 90; 103.281; 90 | 1028.31 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100137 | CIF Paper | C20 H28 N2 O6 | P 1 21 1 | 8.3381; 22.738; 10.819 90; 90.12; 90 | 2051.2 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100138 | CIF Paper | C41 H60 N4 O13 | P 1 | 9.0822; 15.7819; 15.904 108.746; 96.858; 90.06 | 2141.33 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100139 | CIF Paper | C8 H16 N4 | P 1 21/c 1 | 20.247; 18.212; 27.665 90; 102.94; 90 | 9942.1 | Hao, Xiang; Chen, Jing; Cammers, Arthur; Parkin, Sean; Brock, Carolyn Pratt A helical structure with <i>Z</i>' = 10 Acta Crystallographica Section B, 2005, 61, 218-226 |
| 2100140 | CIF Paper | C14 H7 I N2 O4 | P 21 21 21 | 4.1092; 6.7843; 48.6775 90; 90; 90 | 1357.03 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100141 | CIF Paper | C14 H7 I N2 O4 | P 1 21/c 1 | 7.9592; 6.5708; 25.648 90; 97.96; 90 | 1328.4 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100142 | CIF Paper | C14 H7 I N2 O4 | P 1 21/n 1 | 13.4591; 7.6018; 14.7086 90; 110.592; 90 | 1408.74 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100143 | CIF Paper | C14 H7 I N2 O4 | P 1 21/n 1 | 7.5238; 22.6556; 7.9201 90; 107.382; 90 | 1288.38 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100144 | CIF Paper | C14 H7 I N2 O4 | P 21 21 21 | 6.807; 13.0955; 14.8369 90; 90; 90 | 1322.58 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100145 | CIF HKL Paper | C11.33 H12.95 O48 Si24 | P 21 21 21 | 20.099; 19.844; 13.424 90; 90; 90 | 5354.09 | Nishi, Koji; Hidaka, Akira; Yokomori, Yoshinobu Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5 Acta Crystallographica Section B, 2005, 61, 160-163 |
| 2100146 | CIF HKL Paper | C6 H5 F O | P 1 21 1 | 5.651; 5.0642; 9.3185 90; 107.518; 90 | 254.31 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100147 | CIF Paper | C6 H5 F O | P 1 21 1 | 5.6747; 5.076; 9.4753 90; 107.832; 90 | 259.82 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100148 | CIF HKL Paper | C6 H5 Cl O | P 21 21 21 | 3.9846; 13.9272; 20.699 90; 90; 90 | 1148.7 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100149 | CIF Paper | C6 H5 Cl O | P 21 21 21 | 4.0949; 13.875; 20.716 90; 90; 90 | 1177 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100150 | CIF HKL Paper | C6 H5 Cl O | P 1 21/c 1 | 8.7086; 15.4523; 8.7414 90; 93.954; 90 | 1173.5 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100151 | CIF Paper | C6 H5 Cl O | P 1 21/c 1 | 3.9724; 12.7328; 23.155 90; 94.126; 90 | 1168.1 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100152 | CIF Paper | C6 H5 Cl O | P 1 21/c 1 | 4.1096; 12.7665; 23.181 90; 94.201; 90 | 1212.9 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100153 | CIF HKL Paper | C6 H5 F O | C 1 2/c 1 | 17.1336; 8.2766; 11.4975 90; 100.234; 90 | 1604.5 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100154 | CIF Paper | C6 H5 F O | P 21 21 21 | 5.7168; 9.9997; 17.868 90; 90; 90 | 1021.4 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100155 | CIF Paper | H18 O10 Sr | P 4/n c c :1 | 8.999; 8.999; 11.566 90; 90; 90 | 936.6 | Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T. Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction Acta Crystallographica Section B, 2005, 61, 381-386 |
| 2100156 | CIF Paper | H18 O10 Sr | P 4/n c c :1 | 8.99; 8.99; 11.534 90; 90; 90 | 932.2 | Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T. Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction Acta Crystallographica Section B, 2005, 61, 381-386 |
| 2100157 | CIF Paper | H18 O10 Sr | P 4/n c c :1 | 8.984; 8.984; 11.517 90; 90; 90 | 929.6 | Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T. Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction Acta Crystallographica Section B, 2005, 61, 381-386 |
| 2100158 | CIF Paper | C20 H16 Cl2 Zr | C 1 2/c 1 | 15.387; 10.512; 11.927 90; 121.85; 90 | 1638.7 | Stash, Adam I.; Tanaka, Kiyoaki; Shiozawa, Kazunari; Makino, Hitoshi; Tsirelson, Vladimir G. Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis Acta Crystallographica Section B, 2005, 61, 418-428 |
| 2100159 | CIF Paper | B32 K16 Nb16 O96 | P b n 21 | 7.3056; 31.1632; 9.1659 90; 90; 90 | 2086.8 | Schmid, Siegbert; Wagner, Trixie Structure of KNbOB~2~O~5~ ‒ a commensurately modulated structure Acta Crystallographica Section B, 2005, 61, 361-366 |
| 2100160 | CIF Paper | C12 H24 Cl Mn N6 O6 | C -1 | 30.5936; 18.8967; 12.8288 90.18; 111.561; 90.083 | 6897.5 | A. David Rae; Susanne Mossin; Henning O. Sørensen Structure refinement of a twinned pseudo-symmetric crystal of [Mn(C~10~H~24~N~4~)(NCO)~2~]^+^·ClO_4^- Acta Crystallographica Section B, 2005, 61, 407-417 |
| 2100161 | CIF Paper | C18 H42 N8 O10 | P 1 21/c 1 | 13.825; 5.0531; 18.804 90; 102.9; 90 | 1280.5 | Vijayan, M X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes Acta Crystallographica Section B, 2005, 61, 89-95 |
| 2100162 | CIF Paper | C18 H38 N8 O8 | P 1 21 1 | 12.494; 5.951; 16.719 90; 105.977; 90 | 1195.1 | Vijayan, M X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes Acta Crystallographica Section B, 2005, 61, 89-95 |
| 2100163 | CIF Paper | C3 H4 N2 O2 | C 1 2/c 1 | 9.3538; 12.1757; 7.2286 90; 104.593; 90 | 796.7 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100164 | CIF Paper | C22 H8 I2 O2 | P 1 21/c 1 | 4.202; 20.956; 9.276 90; 100.63; 90 | 802.8 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100165 | CIF Paper | C9 H9 N3 O5 | P 1 21/n 1 | 12.5693; 4.8531; 17.2663 90; 99.1624; 90 | 1039.81 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100166 | CIF Paper | C3 H7 N | P 1 21/c 1 | 9.507; 9.122; 9.79 90; 117.469; 90 | 753.3 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100183 | CIF Paper | C12 H22 O11 | P 1 | 7.65217; 19.8637; 4.98773 92.0279; 106.261; 97.1529 | 720.18 | Platteau, Cyril; Lefebvre, Jacques; Affouard, Frederic; Willart, Jean-François; Derollez, Patrick; Mallet, Franck Structure determination of the stable anhydrous phase of α-lactose from X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 185-191 |
| 2100184 | CIF HKL Paper | Bi2 Cu3.26 I2.62 S3.38 | C 1 2/m 1 | 28.056; 4.1048; 10.58 90; 110.572; 90 | 1140.7 | Tonci Balic-Zunic; Konstantin Mariolacos; Emil Makovicky Structure of a synthetic halogen sulfosalt, Cu~3~Bi~2~S~3~I~3~ Acta Crystallographica Section B, 2005, 61, 239-245 |
| 2100185 | CIF Paper | C144 H144 N24 O36 | P 1 21/n 1 | 10.6907; 47.1248; 6.80017 90; 94.1849; 90 | 3416.77 | Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique Structure determination of forms I and II of phenobarbital from X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 80-88 |
| 2100186 | CIF Paper | C144 H144 N24 O36 | P -1 | 10.7313; 23.5112; 6.78309 90.9687; 94.4757; 88.1533 | 1705.13 | Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique Structure determination of forms I and II of phenobarbital from X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 80-88 |
| 2100187 | CIF Paper | C Ca O3 | P m c n | 4.96183; 7.96914; 5.742852 90; 90; 90 | 227.081 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
| 2100188 | CIF Paper | O2 Si | P 32 2 1 | 4.91427; 4.91427; 5.4058 90; 90; 120 | 113.06 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
| 2100189 | CIF Paper | C Ca O3 | R -3 c :H | 4.987; 4.987; 17.058 90; 90; 120 | 367.4 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
| 2100190 | CIF Paper | C12 D18 | P -1 | 6.1803; 6.1898; 6.1993 90.041; 90.129; 90.239 | 237.15 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100191 | CIF Paper | C12 D18 | P -1 | 6.1934; 6.2008; 6.2102 90.012; 90.116; 90.266 | 238.49 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100192 | CIF Paper | C12 D18 | P -1 | 6.2055; 6.212; 6.2214 90; 90.06; 90.195 | 239.82 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100193 | CIF Paper | C12 D18 | P -1 | 6.211; 6.219; 6.2257 90; 90.02; 90.17 | 240.47 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100194 | CIF Paper | C12 D18 | P -1 | 6.2157; 6.2221; 6.2284 90; 90.02; 90.139 | 240.88 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100195 | CIF Paper | C12 D18 | P -1 | 6.2183; 6.222; 6.2281 90.01; 90.03; 90.12 | 240.97 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100196 | CIF Paper | C12 D18 | P -1 | 5.236; 6.1845; 7.952 103.816; 98.46; 100.057 | 241.36 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100197 | CIF | C4 H6 O2 | P 1 21/a 1 | 10.1282; 10.2303; 8.31325 90; 93.2908; 90 | 859.95 | Papoular, Robert J; Allouchi, Hassan; Chagnes, Alexandre; Dzyabchenko, Alexander V; Carre, Bernard; Lemordant, Daniel; Agafonov, Viatcheslav X-Ray powder diffraction structure determination of γ-butyrolactone at 180 K. Phase problem solution from the lattice energy minimization with two independent molecules. Acta Crystallographica, Section B, 2005, 61 |
| 2100198 | CIF | C21 H22 N2 O2 | P 21 21 21 | 11.309; 11.785; 12.002 90; 90; 90 | 1599.65 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100199 | CIF Paper | C21 H22 N2 O2 | P 21 21 21 | 11.326; 11.765; 11.994 90; 90; 90 | 1598.2 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100200 | CIF | C21 H22 N2 O2 | P 21 21 21 | 11.309; 11.785; 12.002 90; 90; 90 | 1599.65 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100201 | CIF Paper | C21 H22 N2 O2 | P 21 21 21 | 11.326; 11.765; 11.994 90; 90; 90 | 1598.2 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100202 | CIF Paper | C8 H10 N4 O2 | R 3 c :H | 14.9372; 14.9372; 6.898 90; 90; 120 | 1332.88 | Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc <i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 329-334 |
| 2100203 | CIF Paper | C17 H21 N O4 | P 21 21 21 | 7.431; 13.769; 14.944 90; 90; 90 | 1529 | Scheins, Stephan; Messerschmidt, Marc; Luger, Peter Submolecular partitioning of morphine hydrate based on its experimental charge density at 25K Acta Crystallographica Section B, 2005, 61, 443-448 |
| 2100204 | CIF Paper | C12 H22 O11 | P 1 | 7.6258; 19.6559; 5.0613 95.646; 105.43; 80.996 | 721.01 | Lefebvre, Jacques; Willart, J.-F.; Caron, V.; Lefort, R.; Affouard, F.; Danède, F. Structure determination of the 1/1 α/β mixed lactose by X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 455-463 |
| 2100205 | CIF | B4 Fe3 Gd O12 | P 31 2 1 | 9.5305; 9.5305; 7.5479 90; 90; 120 | 593.73 | Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M. Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4 Acta Crystallographica, Section B: Structural Science, 2005, 61, 481-485 |
| 2100206 | CIF | B4 Fe3 Gd O12 | R 3 2 :H | 9.5203; 9.5203; 7.5439 90; 90; 120 | 592.15 | Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M. Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4 Acta Crystallographica, Section B: Structural Science, 2005, 61, 481-485 |
| 2100207 | CIF Paper | C50 H77 Cl O55.25 | C 1 2 1 | 18.998; 24.82; 16.662 90; 105.29; 90 | 7579 | Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin Acta Crystallographica Section B, 2005, 61, 207-217 |
| 2100208 | CIF Paper | C141.5 H238 Cl2 O80 | P 1 21 1 | 10.926; 25.284; 29.954 90; 92.86; 90 | 8265 | Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin Acta Crystallographica Section B, 2005, 61, 207-217 |
| 2100209 | CIF | ? | R -3 m :H | 4.27125; 4.27125; 63.8957 90; 90; 120 | 1009.51 | Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru Extremely long period stacking structure in the Sb-Te binary system Acta Crystallographica, Section B: Structural Science, 2005, 61, 492-497 |
| 2100210 | CIF | ? | R -3 m :H | 4.28168; 4.28168; 108.7017 90; 90; 120 | 1725.82 | Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru Extremely long period stacking structure in the Sb-Te binary system Acta Crystallographica, Section B: Structural Science, 2005, 61, 492-497 |
| 2100211 | CIF Paper | Ba0.0504 Bi0.2661 O1.8165 Ti0.6835 | ?P? | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275) Acta Crystallographica Section B, 2005, 61, 145-153 |
| 2100212 | CIF Paper | C24 H38 O5 | P 21 21 21 | 8.9879; 9.4028; 26.4369 90; 90; 90 | 2234.22 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100213 | CIF Paper | C24 H38 O5 | P 21 21 21 | 6.3122; 10.8884; 32.0624 90; 90; 90 | 2203.64 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100214 | CIF Paper | C24 H36 O5 | P 1 21 1 | 10.2677; 7.1108; 15.227 90; 92.34; 90 | 1110.82 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100215 | CIF Paper | C24 H36 O5 | P 21 21 21 | 8.4953; 12.706; 20.8011 90; 90; 90 | 2245.3 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100216 | CIF Paper | C24 H37 O5.5 | C 1 2 1 | 26.6049; 7.7044; 22.9126 90; 93.424; 90 | 4688.12 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100217 | CIF Paper | C24 H34 O5 | P 1 21 1 | 12.0863; 6.8301; 13.1153 90; 101.138; 90 | 1062.28 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100218 | CIF Paper | C4 H9 Cd N7 Ni O0 | ?P? | 8.4867; 15.951; 7.604 90; 90.48; 90 | 1029.3 | Petříček, Václav; Dušek, Michal; Černák, Juraj Modulated one-dimensional structure of [Cd(NH~3~)~3~Ni(CN)~4~] Acta Crystallographica Section B, 2005, 61, 280-286 |
| 2100219 | CIF Paper | C2 H3 K N8 O2 | P -1 | 7.031; 11.4089; 4.6788 93.158; 106.749; 83.473 | 356.964 | Leonid A. Solovyov; Alexander M. Astachov; Maxim S. Molokeev; Alexander D. Vasiliev Powder diffraction crystal structure analysis using derivative difference minimization: example of the potassium salt of 1-(tetrazol-5-yl)-2-nitroguanidine Acta Crystallographica Section B, 2005, 61, 435-442 |
| 2100220 | CIF Paper | K5 Mo4 O16 Yb | ?P? | 10.4054; 6.1157; 19.7751 90; 136.625; 90 | 864.2 | Alla Arakcheeva; Gervais Chapuis; Vaclav Petricek; Vladimir Morozov The role of second coordination-sphere interactions in incommensurately modulated structures, using β-K~5~Yb(MoO~4~)~4~ as an example Acta Crystallographica Section B, 2005, 61, 400-406 |
| 2100221 | CIF | C2 H2 N4 O3 | P -1 | 5.1233; 10.314; 17.998 106.61; 97.81; 90.13 | 902.1 | Bolotina, Nadezhda B.; Kirschbaum, Kristin; Pinkerton, A.Alan Acta Crystallographica, Section B, 2005, 61, 577-584 |
| 2100222 | CIF Paper | C20 H24 O7 | C 1 2/c 1 | 15.3519; 10.4044; 11.8506 90; 109.607; 90 | 1783.11 | Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W. Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography Acta Crystallographica Section B, 2005, 61, 335-345 |
| 2100223 | CIF Paper | C21 H29 Cl N O6.5 | C 1 2/c 1 | 36.0403; 7.8165; 17.0066 90; 111.792; 90 | 4448.5 | Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W. Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography Acta Crystallographica Section B, 2005, 61, 335-345 |
| 2100224 | CIF Paper | C20 H24 O6 S | C 1 2/c 1 | 8.6029; 12.2965; 17.6032 90; 104.038; 90 | 1806.55 | Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W. Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography Acta Crystallographica Section B, 2005, 61, 335-345 |
| 2100225 | CIF Paper | C20 H24 O7 S | C 1 2/c 1 | 8.8113; 12.2699; 17.564 90; 103.988; 90 | 1842.6 | Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W. Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography Acta Crystallographica Section B, 2005, 61, 335-345 |
| 2100226 | CIF Paper | C20 H24 O8 S | P 1 21/n 1 | 8.7886; 15.3454; 15.4972 90; 106.277; 90 | 2006.25 | Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W. Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography Acta Crystallographica Section B, 2005, 61, 335-345 |
| 2100227 | CIF Paper | Li2 O2 | P 63/m m c | 3.183; 3.183; 7.7258 90; 90; 120 | 67.787 | Luis Guillermo Cota; Pablo de la Mora On the structure of lithium peroxide, Li~2~O~2~ Acta Crystallographica Section B, 2005, 61, 133-136 |
| 2100228 | CIF HKL Paper | C10 H10 N2 O2 | P 1 21/c 1 | 8.901; 7.666; 6.984 90; 90.091; 90 | 476.6 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100229 | CIF HKL Paper | C10 H16 N2 O2 | P -1 | 5.706; 6.7599; 7.0771 100.269; 112.446; 90.163 | 247.5 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100230 | CIF HKL Paper | C14 H28 N2 O4 | P 1 21/n 1 | 6.6652; 5.5881; 20.034 90; 94.942; 90 | 743.4 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100231 | CIF Paper | C16 H16 N2 O2 | P 1 21/c 1 | 6.499; 16.459; 7.1794 90; 112.986; 90 | 706.98 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100232 | CIF Paper | C16 H28 N2 O2 | P 1 21/c 1 | 10.423; 5.2619; 15.221 90; 109.92; 90 | 784.85 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100233 | CIF HKL Paper | C26 H22 N4 O2 | P -1 | 7.82; 8.619; 9.201 111.897; 109.851; 94.657 | 525.6 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100234 | CIF Paper | C16 H28 N2 O4 | P -1 | 6.9612; 7.3146; 9.659 106.182; 104.481; 106.201 | 423.96 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100235 | CIF HKL Paper | C12 H20 N2 O2 | P -1 | 8.962; 9.4944; 14.7119 90.501; 92.919; 99.664 | 1232.26 | Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon Formation of quinol co-crystals with hydrogen-bond acceptors Acta Crystallographica Section B, 2005, 61, 46-57 |
| 2100236 | CIF Paper | C17 H13 N3 O2 | P 21 21 21 | 23.97; 10.609; 5.457 90; 90; 90 | 1387.7 | Ryabova, Svetlana Yu.; Rastorgueva, Nina A.; Sonneveld, Eduard J.; Peschar, Rene; Schenk, Henk; Tafeenko, Viktor A.; Aslanov, Leonid A.; Chernyshev, Vladimir V. Structural characterization of [1,4]diazepino[6,5-<i>b</i>]indoles by powder diffraction Acta Crystallographica Section B, 2005, 61, 192-199 |
| 2100237 | CIF HKL Paper | C3 H7 N O3 | P 21 21 21 | 8.5213; 9.172; 5.5847 90; 90; 90 | 436.49 | Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa Acta Crystallographica Section B, 2005, 61, 58-68 |
| 2100238 | CIF HKL Paper | C3 H7 N O3 | P 21 21 21 | 8.4365; 8.9506; 5.5512 90; 90; 90 | 419.18 | Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa Acta Crystallographica Section B, 2005, 61, 58-68 |
| 2100239 | CIF HKL Paper | C3 H7 N O3 | P 21 21 21 | 8.3702; 8.7699; 5.5103 90; 90; 90 | 404.49 | Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa Acta Crystallographica Section B, 2005, 61, 58-68 |
| 2100240 | CIF HKL Paper | C3 H7 N O3 | P 21 21 21 | 8.3266; 8.665; 5.4851 90; 90; 90 | 395.75 | Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa Acta Crystallographica Section B, 2005, 61, 58-68 |
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