Crystallography Open Database

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2104757 CIF
Paper
C Fe O3R -3 c :H4.68653; 4.68653; 15.3832
90; 90; 120
292.6Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104758 CIF
Paper
H16 N6 O10 SP 1 21/c 110.241; 11.216; 10.1672
90; 104.594; 90
1130.16Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.
Structures of relevant ammonium salts in fertilizers
Acta Crystallographica Section B, 2010, 66, 358-365
2104759 CIF
Paper
H16 N6 O10 SP 1 21/c 110.3178; 11.4014; 10.2567
90; 105.956; 90
1160.09Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.
Structures of relevant ammonium salts in fertilizers
Acta Crystallographica Section B, 2010, 66, 358-365
2104760 CIF
Paper
H20 N8 O13 SP 1 21 19.8642; 5.9636; 12.3046
90; 93.115; 90
722.763Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.
Structures of relevant ammonium salts in fertilizers
Acta Crystallographica Section B, 2010, 66, 358-365
2104761 CIF
Paper
H20 N8 O13 SP 1 21 19.9566; 5.9332; 12.4161
90; 92.817; 90
732.59Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.
Structures of relevant ammonium salts in fertilizers
Acta Crystallographica Section B, 2010, 66, 358-365
2104762 CIF
Paper
B6 SmP m -3 m4.1327; 4.1327; 4.1327
90; 90; 90
70.583Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi
X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K
Acta Crystallographica Section B, 2010, 66, 292-306
2104763 CIF
Paper
B6 SmP m -3 m4.1325; 4.1325; 4.1325
90; 90; 90
70.573Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi
X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K
Acta Crystallographica Section B, 2010, 66, 292-306
2104764 CIF
Paper
B6 SmP m -3 m4.1338; 4.1338; 4.1338
90; 90; 90
70.64Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi
X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K
Acta Crystallographica Section B, 2010, 66, 292-306
2104765 CIF
Paper
B6 SmP m -3 m4.1346; 4.1346; 4.1346
90; 90; 90
70.681Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi
X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K
Acta Crystallographica Section B, 2010, 66, 292-306
2104766 CIF
HKL
Paper
C26 H22 N2 S2 ZnP 1 21/c 19.928; 19.9226; 12.01
90; 107.924; 90
2260.18Scheins, Stephan; Zheng, Shao-Liang; Benedict, Jason B.; Coppens, Philip
Charge-density analysis of the ground state of a photochromic 1,10-phenanthroline zinc(II) bis(thiolate) complex
Acta Crystallographica Section B, 2010, 66, 366-372
2104767 CIF
HKL
Paper
Bi2 Ga4 O9P b a m7.9264; 8.2922; 5.8892
90; 90; 90
387.08Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred
Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase
Acta Crystallographica Section B, 2010, 66, 323-337
2104768 CIF
HKL
Paper
Bi2 Ga4 O9P b a m7.848; 8.23; 5.875
90; 90; 90
379.5Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred
Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase
Acta Crystallographica Section B, 2010, 66, 323-337
2104769 CIF
HKL
Paper
Bi2 Ga4 O9P b a m7.7333; 8.173; 5.8228
90; 90; 90
368Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred
Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase
Acta Crystallographica Section B, 2010, 66, 323-337
2104770 CIF
HKL
Paper
Bi2 Ga4 O9P b a m7.64; 8.114; 5.794
90; 90; 90
359.2Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred
Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase
Acta Crystallographica Section B, 2010, 66, 323-337
2104771 CIF
HKL
Paper
Bi2 Ga4 O9P b a m7.4596; 8.058; 5.747
90; 90; 90
345.45Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred
Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase
Acta Crystallographica Section B, 2010, 66, 323-337
2104772 CIF
HKL
Paper
Bi2 Ga4 O9P b n m6.966; 8.155; 11.49
90; 90; 90
652.7Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred
Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase
Acta Crystallographica Section B, 2010, 66, 323-337
2104773 CIF
HKL
Paper
Bi2 Ga4 O9P b n m6.705; 8.107; 11.393
90; 90; 90
619.3Friedrich, Alexandra; Juarez-Arellano, Erick A.; Haussühl, Eiken; Boehler, Reinhard; Winkler, Björn; Wiehl, Leonore; Morgenroth, Wolfgang; Burianek, Manfred; Mühlberg, Manfred
Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase
Acta Crystallographica Section B, 2010, 66, 323-337
2104774 CIF
Paper
C10 H20 Mn N O10P -17.7085; 7.7158; 15.9918
97.889; 91.533; 118.38
824.28Biju, A. R.; Rajasekharan, M. V.
Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion
Acta Crystallographica Section B, 2010, 66, 373-379
2104775 CIF
Paper
C10 H20 Mn N O10P -17.902; 13.238; 15.966
86.226; 80.642; 89.99
1644.3Biju, A. R.; Rajasekharan, M. V.
Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion
Acta Crystallographica Section B, 2010, 66, 373-379
2104776 CIF
Paper
C10 H20 Mn N O10P -17.901; 13.298; 16.832
109.655; 94.745; 90.033
1659Biju, A. R.; Rajasekharan, M. V.
Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion
Acta Crystallographica Section B, 2010, 66, 373-379
2104777 CIF
HKL
Paper
C10 H20 Mn N O10P 1 21/c 17.8378; 12.9697; 31.268
90; 94.69; 90
3167.9Biju, A. R.; Rajasekharan, M. V.
Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion
Acta Crystallographica Section B, 2010, 66, 373-379
2104778 CIF
HKL
Paper
C10 H22 B F4 Mn O8C 1 2/m 17.5897; 11.8987; 10.235
90; 110.549; 90
865.49Biju, A. R.; Rajasekharan, M. V.
Polymorphism in the nitrate salt of the [Mn(acetylacetonate)~2~(H~2~O)~2~]^+^ ion
Acta Crystallographica Section B, 2010, 66, 373-379
2104779 CIF
HKL
Paper
C4 H6 N2 O4 SP 21 21 215.1744; 9.3697; 13.919
90; 90; 90
674.83Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech
Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions
Acta Crystallographica Section B, 2010, 66, 451-457
2104780 CIF
Paper
C4 H6 N2 O4 SP 21 21 215.1748; 9.429; 13.9135
90; 90; 90
678.88Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech
Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions
Acta Crystallographica Section B, 2010, 66, 451-457
2104781 CIF
HKL
Paper
C4 H6 N2 O4 SP -15.3552; 7.4832; 16.506
86.484; 88.111; 77.487
644.4Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech
Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions
Acta Crystallographica Section B, 2010, 66, 451-457
2104782 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.7952; 5.933; 12.362
90; 90; 90
425Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104783 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.7464; 5.834; 12.26
90; 90; 90
411Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104784 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.6999; 5.772; 12.161
90; 90; 90
400.1Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104785 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.6729; 5.671; 12.047
90; 90; 90
387.6Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104786 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.6254; 5.573; 11.942
90; 90; 90
374.4Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104787 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.6084; 5.552; 11.857
90; 90; 90
369.2Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104788 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.6083; 5.5139; 11.815
90; 90; 90
365.36Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104789 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.5845; 5.4749; 11.721
90; 90; 90
358.36Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104790 CIF
HKL
Paper
C3 H7 N O2P 21 21 215.5441; 5.4007; 11.587
90; 90; 90
346.94Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.
Pressure-induced phase transitions in <small>L</small>-alanine, revisited
Acta Crystallographica Section B, 2010, 66, 458-471
2104791 CIF
Paper
C H6 Br3 N SnP m c 215.89406; 8.38619; 8.24063
90; 90; 90
407.32Swainson, Ian; Chi, Lisheng; Her, Jae-Hyuk; Cranswick, Lachlan; Stephens, Peter; Winkler, Björn; Wilson, Daniel J.; Milman, Victor
Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH~3~NH~3~SnBr~3~
Acta Crystallographica Section B, 2010, 66, 422-429
2104792 CIF
Paper
Cu O4 P RbP n m a8.93178; 16.1181; 8.56656
90; 90; 90
1233.27Henry, Paul F.; Kimber, Simon A. J.; Argyriou, Dimitri N.
Polymorphism and piezochromicity in the three-dimensional network-based phosphate RbCuPO~4~
Acta Crystallographica Section B, 2010, 66, 412-421
2104793 CIF
Paper
Cu O4 P RbP 1 21 18.60296; 9.6593; 5.05388
90; 91.4224; 90
419.84Henry, Paul F.; Kimber, Simon A. J.; Argyriou, Dimitri N.
Polymorphism and piezochromicity in the three-dimensional network-based phosphate RbCuPO~4~
Acta Crystallographica Section B, 2010, 66, 412-421
2104794 CIF
Paper
C8 H18 N2 O4 SP b c a8.3222; 9.5441; 27.0123
90; 90; 90
2145.53Śledź, Paweł; Kamiński, Radosław; Chruszcz, Maksymilian; Zimmerman, Matthew D.; Minor, Wladek; Woźniak, Krzysztof
An experimental charge density of HEPES
Acta Crystallographica Section B, 2010, 66, 482-492
2104795 CIF
Paper
C15 H25 N4 O4 PP 1 21/c 19.9548; 20.3681; 8.8471
90; 96.125; 90
1783.6Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O.
Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of <i>N</i>-(4-nitrobenzoyl)-<i>N</i>',<i>N</i>''-bis(morpholino)phosphoric triamide
Acta Crystallographica Section B, 2010, 66, 441-450
2104796 CIF
Paper
C15 H21 N4 O6 PP 1 21/c 116.2973; 11.1318; 9.4354
90; 94.881; 90
1705.5Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O.
Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of <i>N</i>-(4-nitrobenzoyl)-<i>N</i>',<i>N</i>''-bis(morpholino)phosphoric triamide
Acta Crystallographica Section B, 2010, 66, 441-450
2104797 CIF
Paper
C33 H50 La N11 O23 P2P 1 21/n 18.8631; 33.466; 15.5399
90; 93.195; 90
4602.2Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O.
Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of <i>N</i>-(4-nitrobenzoyl)-<i>N</i>',<i>N</i>''-bis(morpholino)phosphoric triamide
Acta Crystallographica Section B, 2010, 66, 441-450
2104798 CIF
Paper
C32 H49 Er N11 O23 P2P 1 21/n 18.7152; 33.5889; 15.3815
90; 92.113; 90
4499.6Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O.
Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of <i>N</i>-(4-nitrobenzoyl)-<i>N</i>',<i>N</i>''-bis(morpholino)phosphoric triamide
Acta Crystallographica Section B, 2010, 66, 441-450
2104799 CIF
Paper
C15 H21 N4 O4 PP -19.1631; 9.3224; 11.4353
109.909; 110.445; 96.024
832.34Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio F.; Stoeckli-Evans, Helen; Della Védova, Carlos O.
Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of <i>N</i>-(4-nitrobenzoyl)-<i>N</i>',<i>N</i>''-bis(morpholino)phosphoric triamide
Acta Crystallographica Section B, 2010, 66, 441-450
2104800 CIF
HKL
Paper
C19 H22 N2P -110.9907; 13.8123; 17.224
71.469; 88.621; 70.319
2324.2Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey
Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons
Acta Crystallographica Section B, 2010, 66, 472-481
2104801 CIF
HKL
Paper
C21 H26 N2P -17.6347; 15.454; 15.936
66.214; 82.257; 85.37
1704.1Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey
Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons
Acta Crystallographica Section B, 2010, 66, 472-481
2104802 CIF
HKL
Paper
C21 H26 N2P 1 21/c 114.9437; 33.259; 10.7536
90; 104.713; 90
5169.4Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey
Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons
Acta Crystallographica Section B, 2010, 66, 472-481
2104803 CIF
HKL
Paper
C21 H26 N2P 1 21/c 114.985; 11.195; 10.746
90; 104.873; 90
1742.3Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey
Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons
Acta Crystallographica Section B, 2010, 66, 472-481
2104804 CIF
HKL
Paper
C23 H30 N2P 1 21/c 115.529; 12.186; 10.764
90; 110.147; 90
1912.3Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey
Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons
Acta Crystallographica Section B, 2010, 66, 472-481
2104805 CIF
HKL
Paper
C23 H30 N2C 1 2 128.37; 6.6841; 21.6271
90; 105.94; 90
3943.4Vande Velde, Christophe M. L.; Tylleman, Benoît; Zeller, Matthias; Sergeyev, Sergey
Structures of alkyl-substituted Tröger's base derivatives illustrate the importance of <i>Z</i>' for packing in the absence of strong crystal synthons
Acta Crystallographica Section B, 2010, 66, 472-481
2104806 CIF
Paper
Ge Sb6 Te10R -3 m :H4.236; 4.236; 101.5087
90; 90; 120
1577.41Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Fujita, Tomoko; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki
Structural investigation of GeSb~6~Te~10~ and GeBi~6~Te~10~ intermetallic compounds in the chalcogenide homologous series
Acta Crystallographica Section B, 2010, 66, 407-411
2104807 CIF
Paper
Bi6 Ge Te10R -3 m :H4.3515; 4.3515; 101.8739
90; 90; 120
1670.6Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Fujita, Tomoko; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki
Structural investigation of GeSb~6~Te~10~ and GeBi~6~Te~10~ intermetallic compounds in the chalcogenide homologous series
Acta Crystallographica Section B, 2010, 66, 407-411
2104808 CIF
HKL
Paper
C10 H26 Ni O15 S2C m c 2117.8301; 7.4833; 14.8133
90; 90; 90
1976.51Siegler, Maxime A.; Stavitski, Eli
On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K
Acta Crystallographica Section B, 2010, 66, 430-440
2104809 CIF
HKL
Paper
C10 H26 Ni O15 S2P b c 2117.7219; 7.5069; 14.717
90; 90; 90
1957.9Siegler, Maxime A.; Stavitski, Eli
On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K
Acta Crystallographica Section B, 2010, 66, 430-440
2104810 CIF
HKL
Paper
C10 H26 Ni O15 S2P b n 2117.8198; 14.8945; 14.6052
90; 90; 90
3876.5Siegler, Maxime A.; Stavitski, Eli
On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K
Acta Crystallographica Section B, 2010, 66, 430-440
2104811 CIF
HKL
Paper
C36 H58P -115.7799; 19.394; 10.5789
94.982; 95.188; 89.963
3212Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104812 CIF
HKL
Paper
C36 H58P -115.7799; 19.394; 10.5789
94.982; 95.188; 89.963
3212Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104813 CIF
HKL
Paper
C36 H58P -115.85; 19.464; 10.596
95.112; 95.102; 90.084
3242.9Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104814 CIF
HKL
Paper
C36 H58P -19.868; 9.9061; 9.9285
77.626; 60.758; 76.286
817.15Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104815 CIF
HKL
Paper
C34 H31.98 I0.02P b c a9.7668; 16.5318; 30.463
90; 90; 90
4918.6Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104816 CIF
HKL
Paper
C34 H31.98 I0.02P b c a9.7668; 16.5318; 30.463
90; 90; 90
4918.6Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104817 CIF
HKL
Paper
C42 H50P 1 21 19.7954; 28.071; 12.519
90; 96.349; 90
3421.2Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104818 CIF
Paper
C30 H26P 1 21/c 115.8912; 15.343; 8.6285
90; 92.68; 90
2101.5Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104819 CIF
Paper
C30 H26P 1 21/c 115.8912; 15.343; 8.6285
90; 92.68; 90
2101.5Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104820 CIF
Paper
C36 H58 N2P b c a16.495; 17.36; 23.009
90; 90; 90
6589Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104821 CIF
Paper
C36 H58P -110.0239; 10.0397; 9.9982
77.364; 60.735; 76.06
845.83Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104822 CIF
Paper
C34 H31.98 I0.02P b c a9.7674; 16.534; 30.4455
90; 90; 90
4916.77Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104823 CIF
Paper
C34 H31.98 I0.02P b c a9.888; 16.6917; 30.5802
90; 90; 90
5047.2Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104824 CIF
Paper
C34 H31.98 I0.02P b c a9.8836; 16.7096; 30.5719
90; 90; 90
5049Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104825 CIF
Paper
C30 H26P 1 21/c 115.8991; 15.355; 8.622
90; 92.677; 90
2102.6Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104826 CIF
Paper
C30 H26P 1 21/c 115.99; 15.712; 8.6656
90; 92.544; 90
2175Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104827 CIF
Paper
C30 H26P 1 21/c 115.9882; 15.7045; 8.6555
90; 92.549; 90
2171.13Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.
Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well
Acta Crystallographica Section B, 2010, 66, 622-638
2104828 CIF
Paper
H17.14 K3.52 Nb8 O30.32F d -3 m :110.6554; 10.6554; 10.6554
90; 90; 90
1209.79Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N.
Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~
Acta Crystallographica Section B, 2010, 66, 594-602
2104829 CIF
Paper
K0.71 Nb O3.5F d -3 m :210.635; 10.635; 10.635
90; 90; 90
1202.9Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N.
Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~
Acta Crystallographica Section B, 2010, 66, 594-602
2104830 CIF
Paper
K0.72 Nb O3.5F d -3 m :210.645; 10.645; 10.645
90; 90; 90
1206.2Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N.
Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~
Acta Crystallographica Section B, 2010, 66, 594-602
2104831 CIF
Paper
K0.67 Nb O3.5F d -3 m :210.665; 10.665; 10.665
90; 90; 90
1213.1Smirnova, O.; Kumada, N.; Takei, T.; Yonesaki, Y.; Yashima, M.; Kinomura, N.
Structure and electrical properties of the new pyrochlore-type protonic solid electrolyte K~0.88~Nb~2~O~7.58~H~4.28~
Acta Crystallographica Section B, 2010, 66, 594-602
2104832 CIF
Paper
Cl2 H8 Mg O12C 1 2 111.48059; 8.00253; 5.93697
90; 112.328; 90
504.56Robertson, Kevin; Bish, David
Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method
Acta Crystallographica Section B, 2010, 66, 579-584
2104833 CIF
Paper
Cl2 H4 Mg O10C 1 2/m 114.38776; 5.21861; 5.43805
90; 108.199; 90
387.89Robertson, Kevin; Bish, David
Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method
Acta Crystallographica Section B, 2010, 66, 579-584
2104834 CIF
Paper
C12 H9 N3P 1 21/n 15.6182; 26.8034; 6.951
90; 110.693; 90
979.2Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104835 CIF
Paper
C12 H9 N3P 1 21/n 15.6598; 27.1299; 6.9417
90; 110.83; 90
996.23Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104836 CIF
Paper
C10 H11 N3 O2P 1 21/c 14.7195; 16.9565; 12.6172
90; 100.623; 90
992.4Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104837 CIF
Paper
C7 H5 N3 O2P -13.7639; 6.5389; 15.141
80.829; 83.77; 86.189
365.25Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104838 CIF
Paper
C8 H8 N4 OP b c a7.1342; 19.2898; 25.4147
90; 90; 90
3497.5Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104839 CIF
Paper
C6 H2 Cl3 N3P 1 21 13.7715; 13.1451; 8.3333
90; 102.138; 90
403.902Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104840 CIF
Paper
C6 H3 Br2 N3P 1 21/c 115.4939; 29.0284; 7.3042
90; 100.024; 90
3235.01Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104841 CIF
Paper
C6 H2 Br3 N3P 1 21/n 13.8918; 14.69; 15.6965
90; 95.665; 90
892.99Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi
Direct observation of arylnitrene formation in the photoreaction of arylazide crystals
Acta Crystallographica Section B, 2010, 66, 639-646
2104842 CIF
Paper
C21 H20 N4 O2C 1 c 119.9575; 10.0329; 9.9849
90; 106.64; 90
1915.57Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104843 CIF
Paper
C21 H20 N4 O2P 21 21 218.9705; 14.4208; 14.8689
90; 90; 90
1923.47Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104844 CIF
Paper
C21 H20 N4 O2P 1 21/c 110.854; 8.6662; 21.081
90; 104.51; 90
1919.7Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104845 CIF
Paper
C19 H28 N4 O2P -19.1925; 10.1813; 11.3543
110.816; 103.168; 103.37
908.51Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104846 CIF
Paper
C22 H22 N4 O2P -18.0615; 10.3615; 13.5356
72.503; 72.933; 70.506
992.76Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104847 CIF
Paper
C21 H20 N4 O2C 1 c 119.892; 9.966; 10.068
90; 107.06; 90
1908.1Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104848 CIF
Paper
C21 H20 N4 O2P 21 21 218.9378; 14.5133; 14.9386
90; 90; 90
1937.79Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104849 CIF
Paper
C21 H20 N4 O2P 1 21/c 110.908; 8.7884; 21.24
90; 104.87; 90
1968Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104850 CIF
Paper
C19 H28 N4 O2P -19.2356; 10.2844; 11.377
111.073; 103.254; 103.553
919.86Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104851 CIF
HKL
Paper
C14 H16 N2 O2P 1 21 15.619; 10.0392; 10.7068
90; 92.4862; 90
603.4Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104852 CIF
HKL
Paper
C14 H16 N2 O2P 1 21 17.8134; 6.5487; 12.1725
90; 95.0641; 90
620.41Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104853 CIF
HKL
Paper
C14 H16 N2 O2P 1 21 18.0807; 6.6311; 12.0895
90; 96.428; 90
643.73Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104854 CIF
HKL
Paper
C15 H18 N2 O2P 43 21 27.8284; 7.8284; 42.8636
90; 90; 90
2626.85Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104855 CIF
HKL
Paper
C15 H18 N2 O2P 21 21 2110.1348; 10.9014; 12.1599
90; 90; 90
1343.47Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104856 CIF
HKL
Paper
C15 H18 N2 O2P 21 21 2110.149; 10.939; 12.31
90; 90; 90
1366.66Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677

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