Crystallography Open Database

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Searching journal of publication like 'Chemical Science' volume of publication is 3

COD ID: 1514934
CIF file Formula: - C28 H24 -
Comments: Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process? Chemical Science 3(2) (2012) 493
Space group: P 32
Cell volume: 4626.55
Cell parameters: 29.9106; 29.9106; 5.9714; 90; 90; 120;  

COD ID: 1514935
CIF file Formula: - C13 H14 Fe N5 O -
Comments: Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science 3(2) (2012) 364
Space group: P -1
Cell volume: 1296
Cell parameters: 8.24; 9.982; 16.64; 82.977; 83.088; 73.325;  

COD ID: 1514936
CIF file Formula: - C13 H14 Co N5 O -
Comments: Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science 3(2) (2012) 364
Space group: P 1 21/n 1
Cell volume: 1329.3
Cell parameters: 10.445; 11.723; 11.03; 90; 100.177; 90;  

COD ID: 1514937
CIF file Formula: - C68 H63 Fe3 N9 -
Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407
Space group: P -1
Cell volume: 2763.3
Cell parameters: 11.805; 12.98; 19.363; 73.794; 86.132; 75.907;  

COD ID: 1514938
CIF file Formula: - C68 H63 Fe3 N9 -
Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407
Space group: P -1
Cell volume: 2791.8
Cell parameters: 11.839; 13.026; 19.436; 73.818; 86.197; 75.893;  

COD ID: 1514939
CIF file Formula: - C68 H63 Fe3 N9 -
Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407
Space group: P -1
Cell volume: 2804
Cell parameters: 11.8394; 13.037; 19.508; 73.852; 86.214; 75.811;  

COD ID: 1514940
CIF file Formula: - C68 H63 Fe3 N9 -
Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407
Space group: P -1
Cell volume: 2850.3
Cell parameters: 11.888; 13.106; 19.649; 73.904; 86.251; 75.708;  

COD ID: 1514941
CIF file Formula: - C68 H63 Fe3 N9 -
Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407
Space group: P -1
Cell volume: 2854.4
Cell parameters: 11.881; 13.093; 19.706; 73.971; 86.265; 75.654;  

COD ID: 1514942
CIF file Formula: - C60 H74 Fe3 N6 O4.75 -
Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407
Space group: C 1 2/c 1
Cell volume: 10991.6
Cell parameters: 21.1077; 15.5695; 33.842; 90; 98.773; 90;  

COD ID: 1514943
CIF file Formula: - C65 H69 Fe3 N6 P3 -
Comments: Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science 3(2) (2012) 407
Space group: P 1 21/c 1
Cell volume: 5483
Cell parameters: 12.403; 20.06; 22.036; 90; 90; 90;  

COD ID: 1514944
CIF file Formula: - C26 H25 F3 N2 O4 -
Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537
Space group: P 21 21 21
Cell volume: 2420.39
Cell parameters: 8.6711; 9.4306; 29.5986; 90; 90; 90;  

COD ID: 1514945
CIF file Formula: - C31 H30 F3 N O6 S -
Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537
Space group: P 1 21/c 1
Cell volume: 2902.67
Cell parameters: 11.9727; 24.2406; 10.481; 90; 107.399; 90;  

COD ID: 1514946
CIF file Formula: - C27 H27 F3 N2 O4 -
Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537
Space group: P 1 21 1
Cell volume: 1236.6
Cell parameters: 10.8509; 9.3445; 12.7734; 90; 107.297; 90;  

COD ID: 1514947
CIF file Formula: - C32 H29 N O4 S -
Comments: Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science 3(2) (2012) 537
Space group: P 21 21 21
Cell volume: 2631.13
Cell parameters: 9.3165; 14.3322; 19.705; 90; 90; 90;  

COD ID: 1514948
CIF file Formula: - C44 H40 N4 Si -
Comments: Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science 3(2) (2012) 549
Space group: C 1 2/c 1
Cell volume: 3690.61
Cell parameters: 30.7917; 10.2374; 11.7082; 90; 90.481; 90;  

COD ID: 1514949
CIF file Formula: - C32 H26 O2 Si -
Comments: Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science 3(2) (2012) 549
Space group: P b c a
Cell volume: 10399.9
Cell parameters: 21.7477; 13.4689; 35.5044; 90; 90; 90;  

COD ID: 1514950
CIF file Formula: - C54 H44 N2 Si -
Comments: Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science 3(2) (2012) 549
Space group: P 1 21/c 1
Cell volume: 4099.8
Cell parameters: 20.3587; 11.0369; 18.2729; 90; 93.111; 90;  

COD ID: 1514951
CIF file Formula: - C28 H42 F6 N O6 P -
Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425
Space group: C 1 c 1
Cell volume: 3092.8
Cell parameters: 13.4798; 24.491; 11.104; 90; 122.469; 90;  

COD ID: 1514952
CIF file Formula: - C29 H44 F6 N O6 P -
Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425
Space group: P 1 21/c 1
Cell volume: 3128.7
Cell parameters: 13.7552; 13.8563; 16.5085; 90; 96.093; 90;  

COD ID: 1514953
CIF file Formula: - C30 H46 F6 N O6 P -
Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425
Space group: P 1 21/c 1
Cell volume: 3288
Cell parameters: 8.538; 33.09; 11.751; 90; 97.9; 90;  

COD ID: 1514954
CIF file Formula: - C30 H46 F6 N O7 P -
Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425
Space group: P 1 21/c 1
Cell volume: 3280.1
Cell parameters: 8.702; 32.962; 11.4583; 90; 93.616; 90;  

COD ID: 1514955
CIF file Formula: - C29 H46 F6 N O6 P -
Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425
Space group: P 1 21/c 1
Cell volume: 3234.5
Cell parameters: 15.9763; 13.6353; 15.3457; 90; 104.633; 90;  

COD ID: 1514956
CIF file Formula: - C30 H48 F6 N O7 P -
Comments: Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science 3(2) (2012) 425
Space group: P 1 21 1
Cell volume: 3380.9
Cell parameters: 8.3591; 33.576; 12.1989; 90; 99.083; 90;  

COD ID: 1514957
CIF file Formula: - C33 H16 O S4 -
Comments: Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60 Chemical Science 3(2) (2012) 498
Space group: P -1
Cell volume: 1511.8
Cell parameters: 11.03; 12.159; 12.875; 112.013; 104.449; 96.026;  

COD ID: 1514958
CIF file Formula: - C48 H46 Br2 N4 O2 -
Comments: Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science 3(2) (2012) 524
Space group: I 41/a c d :2
Cell volume: 33556
Cell parameters: 23.2637; 23.2637; 62.003; 90; 90; 90;  

COD ID: 1514959
CIF file Formula: - C54 H52 N4 O2 -
Comments: Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science 3(2) (2012) 524
Space group: I -4 c 2
Cell volume: 4675
Cell parameters: 17.198; 17.198; 15.807; 90; 90; 90;  

COD ID: 1514960
CIF file Formula: - C26 H30 B2 F8 Fe N10 O2 -
Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349
Space group: I 41/a :2
Cell volume: 6680.1
Cell parameters: 13.7494; 13.7494; 35.336; 90; 90; 90;  

COD ID: 1514961
CIF file Formula: - C26 H26 B2 F8 Fe N10 -
Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349
Space group: P 42/n :2
Cell volume: 1680.51
Cell parameters: 9.7481; 9.7481; 17.6848; 90; 90; 90;  

COD ID: 1514962
CIF file Formula: - C26 H26 B2 F8 Fe N10 -
Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349
Space group: P 42/n :2
Cell volume: 1719.47
Cell parameters: 9.8046; 9.8046; 17.8869; 90; 90; 90;  

COD ID: 1514963
CIF file Formula: - C14 H17 N5 O -
Comments: Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science 3(2) (2012) 349
Space group: P 21 21 21
Cell volume: 1453.76
Cell parameters: 10.064; 11.6546; 12.3944; 90; 90; 90;  

COD ID: 1514964
CIF file Formula: - C13 H12 B F2 N3 -
Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610
Space group: P -1
Cell volume: 598.943
Cell parameters: 7.4169; 8.3781; 11.0339; 70.296; 73.131; 71.441;  

COD ID: 1514965
CIF file Formula: - C13 H9 B F2 N4 -
Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610
Space group: P 1 21/c 1
Cell volume: 1218.2
Cell parameters: 12.6822; 6.9729; 13.8314; 90; 95.138; 90;  

COD ID: 1514966
CIF file Formula: - C14 H12 B F2 N3 O -
Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610
Space group: P 1 21/c 1
Cell volume: 1306.1
Cell parameters: 13.589; 11.4482; 8.7135; 90; 105.519; 90;  

COD ID: 1514967
CIF file Formula: - C15 H14 B F2 N3 O2 -
Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610
Space group: P 1 21/c 1
Cell volume: 1441.9
Cell parameters: 14.589; 11.456; 8.6272; 90; 90.271; 90;  

COD ID: 1514968
CIF file Formula: - C17 H11 B F2 N4 -
Comments: Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science 3(2) (2012) 610
Space group: P -1
Cell volume: 1477.3
Cell parameters: 7.7978; 8.4159; 25.529; 91.862; 95.446; 117.248;  

COD ID: 1514969
CIF file Formula: - C56 H48 Ag2 F12 N12 O4 P2 -
Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359
Space group: P 1 2/c 1
Cell volume: 3085
Cell parameters: 14.883; 11.843; 19.893; 90; 118.38; 90;  

COD ID: 1514970
CIF file Formula: - C56 H48 Ag2 B Cl F4 N12 O4 -
Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359
Space group: P 6 2 2
Cell volume: 5372.09
Cell parameters: 22.2009; 22.2009; 12.58554; 90; 90; 120;  

COD ID: 1514971
CIF file Formula: - C90 H84 Ag3 B3 F12 N18 O6 -
Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359
Space group: P 63
Cell volume: 4938.73
Cell parameters: 17.3366; 17.3366; 18.9739; 90; 90; 120;  

COD ID: 1514972
CIF file Formula: - C90 H84 Ag3 B3 F12 N18 O6 -
Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359
Space group: P 63
Cell volume: 4862.47
Cell parameters: 17.3399; 17.3399; 18.6738; 90; 90; 120;  

COD ID: 1514973
CIF file Formula: - C90 H84 Ag3 N18 O6 -
Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359
Space group: P 63
Cell volume: 4836.03
Cell parameters: 17.2761; 17.2761; 18.7097; 90; 90; 120;  

COD ID: 1514974
CIF file Formula: - C90 H84 Au3 B3 F12 N18 O6 -
Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359
Space group: P 63
Cell volume: 4943.53
Cell parameters: 17.4164; 17.4164; 18.8187; 90; 90; 120;  

COD ID: 1514975
CIF file Formula: - C71 H93 Ag3 Cl4 F12 N18 O8 P2 -
Comments: Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science 3(2) (2012) 359
Space group: P 1
Cell volume: 2128.75
Cell parameters: 12.6553; 13.0092; 15.1663; 104.239; 112.9; 99.765;  

COD ID: 1514976
CIF file Formula: - C16 H20 N2 O6 -
Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584
Space group: P 21 21 21
Cell volume: 1655.88
Cell parameters: 7.95486; 10.00542; 20.80472; 90; 90; 90;  

COD ID: 1514977
CIF file Formula: - C18 H24 N2 O7 -
Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584
Space group: P 21 21 21
Cell volume: 1878.4
Cell parameters: 5.5811; 12.5943; 26.723; 90; 90; 90;  

COD ID: 1514978
CIF file Formula: - C17 H22 N2 O6 -
Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584
Space group: P 1 21 1
Cell volume: 860.11
Cell parameters: 10.1928; 6.6518; 12.7044; 90; 93.098; 90;  

COD ID: 1514979
CIF file Formula: - C18 H24 N2 O7 -
Comments: Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science 3(2) (2012) 584
Space group: P 1 21/c 1
Cell volume: 1866.1
Cell parameters: 12.8847; 5.6274; 25.767; 90; 92.776; 90;  

COD ID: 1514980
CIF file Formula: - C31 H28 Fe O6 Pt S4 -
Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602
Space group: P 1 21/n 1
Cell volume: 3149.5
Cell parameters: 14.6379; 11.5625; 18.7162; 90; 96.152; 90;  

COD ID: 1514981
CIF file Formula: - C47 H60 Co O9.75 Pt S4 -
Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602
Space group: I 1 2/a 1
Cell volume: 8855.2
Cell parameters: 22.814; 16.6711; 23.2989; 90; 92.135; 90;  

COD ID: 1514982
CIF file Formula: - C28 H22 Co O5 Pt S4 -
Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602
Space group: P 1 c 1
Cell volume: 2969
Cell parameters: 11.3784; 11.822; 22.0722; 90; 90.429; 90;  

COD ID: 1514983
CIF file Formula: - C32.35 H29.7 Ni O6.09 Pt S4 -
Comments: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science 3(2) (2012) 602
Space group: I -4 c 2
Cell volume: 8218.7
Cell parameters: 19.0697; 19.0697; 22.6005; 90; 90; 90;  

COD ID: 1514984
CIF file Formula: - C35 H41 B O7 -
Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221
Space group: P -1
Cell volume: 1526.94
Cell parameters: 8.0671; 12.5459; 15.4229; 83.045; 83.617; 81.899;  

COD ID: 1514985
CIF file Formula: - C28 H35 N O7 Si -
Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221
Space group: P 1 21 1
Cell volume: 1477.19
Cell parameters: 11.4194; 10.9563; 12.2162; 90; 104.877; 90;  

COD ID: 1514986
CIF file Formula: - C28 H35 N O7 Si -
Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221
Space group: P 21 21 21
Cell volume: 2765.33
Cell parameters: 10.6948; 14.0253; 18.4358; 90; 90; 90;  

COD ID: 1514987
CIF file Formula: - C28 H36 O6 Si2 -
Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221
Space group: P -1
Cell volume: 1465.19
Cell parameters: 10.3358; 10.7754; 13.7612; 103.096; 100.398; 91.195;  

COD ID: 1514988
CIF file Formula: - C29 H37 N O8 Si -
Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221
Space group: P 21 21 21
Cell volume: 3006.58
Cell parameters: 10.1179; 13.7992; 21.5342; 90; 90; 90;  

COD ID: 1514989
CIF file Formula: - C38 H47 B O8 Sn -
Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221
Space group: P -1
Cell volume: 1965.93
Cell parameters: 10.8449; 13.7385; 14.5994; 78.148; 75.225; 70.556;  

COD ID: 1514990
CIF file Formula: - C35 H39 B O8 -
Comments: Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science 3(4) (2012) 1221
Space group: P 1 21/c 1
Cell volume: 3169.02
Cell parameters: 10.2127; 10.942; 28.6657; 90; 98.392; 90;  

COD ID: 1514991
CIF file Formula: - C37 H57 Ni P3 Si -
Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313
Space group: P b c a
Cell volume: 7082.4
Cell parameters: 16.1008; 16.9634; 25.931; 90; 90; 90;  

COD ID: 1514992
CIF file Formula: - C77.75 H75.75 B F24 N2 Ni P3 Si -
Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313
Space group: C 1 2/c 1
Cell volume: 15703
Cell parameters: 47.534; 13.9003; 30.423; 90; 128.63; 90;  

COD ID: 1514993
CIF file Formula: - C70 H69 B F24 N Ni P3 Si -
Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313
Space group: P 1 21/c 1
Cell volume: 7235.8
Cell parameters: 12.8286; 14.9103; 38.095; 90; 96.779; 90;  

COD ID: 1514994
CIF file Formula: - C69 H66 B Cl F24 Ni O P3 Si -
Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313
Space group: P b c a
Cell volume: 14004.6
Cell parameters: 26.3375; 19.5435; 27.2078; 90; 90; 90;  

COD ID: 1514995
CIF file Formula: - C36 H55 Cl Ni P3 Si -
Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313
Space group: P -1
Cell volume: 1761.8
Cell parameters: 10.9905; 11.1304; 16.8144; 78.237; 79.052; 61.648;  

COD ID: 1514996
CIF file Formula: - C86 H54 B F24 N2 Ni P3 Si -
Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313
Space group: P -1
Cell volume: 3992.6
Cell parameters: 13.2952; 15.4595; 20.2687; 74.996; 84.981; 83.775;  

COD ID: 1514997
CIF file Formula: - C87 H54 B F24 Ni O P3 Si -
Comments: Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science 3(4) (2012) 1313
Space group: P -1
Cell volume: 3992.3
Cell parameters: 13.2892; 15.457; 20.2883; 74.851; 85.107; 83.842;  

COD ID: 1514998
CIF file Formula: - C37 H32 Cl2 N2 -
Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007
Space group: C 1 2/c 1
Cell volume: 3051
Cell parameters: 28.982; 11.074; 9.7067; 90; 101.66; 90;  

COD ID: 1514999
CIF file Formula: - C41 H35 Cl2 N2 -
Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007
Space group: C 1 2/c 1
Cell volume: 3342
Cell parameters: 32.92; 11.005; 9.624; 90; 106.563; 90;  

COD ID: 1515000
CIF file Formula: - C20 H14 N2 -
Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007
Space group: P 1 21/n 1
Cell volume: 737.3
Cell parameters: 10.7874; 6.1038; 11.5494; 90; 104.177; 90;  

COD ID: 1515001
CIF file Formula: - C32 H32 N4 O6 -
Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007
Space group: P -1
Cell volume: 732.4
Cell parameters: 6.2483; 7.152; 16.741; 101.417; 91.557; 92.041;  

COD ID: 1515002
CIF file Formula: - C24 H18 N2 -
Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007
Space group: P 1 21/n 1
Cell volume: 912.37
Cell parameters: 12.5981; 6.0734; 13.4724; 90; 117.737; 90;  

COD ID: 1515003
CIF file Formula: - C29 H23 Cl2 N2 -
Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007
Space group: C 1 2/c 1
Cell volume: 2436.6
Cell parameters: 22.398; 11.1946; 9.7652; 90; 95.645; 90;  

COD ID: 1515004
CIF file Formula: - C33 H28 Cl2 N2 -
Comments: Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science 3(4) (2012) 1007
Space group: C 1 2/c 1
Cell volume: 2757
Cell parameters: 25.388; 11.126; 9.788; 90; 94.187; 90;  

COD ID: 1515005
CIF file Formula: - C44 H42 Cl3 N7 O7 -
Comments: Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M. Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds Chemical Science 3(4) (2012) 1105
Space group: P 1 21/c 1
Cell volume: 4345.2
Cell parameters: 9.5229; 39.529; 11.6647; 90; 98.282; 90;  

COD ID: 1515006
CIF file Formula: - C72 H102 Nb2 O6 P4 -
Comments: Velian, Alexandra; Cummins, Christopher C. Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process Chemical Science 3(4) (2012) 1003
Space group: P 1 21/c 1
Cell volume: 7240.2
Cell parameters: 18.9443; 21.565; 17.9908; 90; 99.909; 90;  

COD ID: 1515007
CIF file Formula: - C46 H78 Co3 I4 N4 O5 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P 1 21/c 1
Cell volume: 5515.64
Cell parameters: 11.79263; 21.62584; 22.16086; 90; 102.592; 90;  

COD ID: 1515008
CIF file Formula: - C46 H78 Br4 Co3 N4 O5 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P 1 21/c 1
Cell volume: 5257.3
Cell parameters: 11.69346; 20.8757; 22.0206; 90; 102.034; 90;  

COD ID: 1515009
CIF file Formula: - C75.5 H123 Cl20 Co4 K N8 O4 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P n m a
Cell volume: 10066.8
Cell parameters: 23.2374; 30.6555; 14.1318; 90; 90; 90;  

COD ID: 1515010
CIF file Formula: - C76 H124 Cl21 Co4 K N8 O4 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P 1 21/c 1
Cell volume: 10013.2
Cell parameters: 11.78965; 31.1301; 27.4398; 90; 96.1289; 90;  

COD ID: 1515011
CIF file Formula: - C42 H74 Cl7 Co2 N5 O2 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P 1 21/n 1
Cell volume: 5059.69
Cell parameters: 14.4425; 21.581; 16.8129; 90; 105.087; 90;  

COD ID: 1515012
CIF file Formula: - C50 H86 Cl3 Co2 N6 O3 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P -1
Cell volume: 2739.42
Cell parameters: 12.4636; 15.6121; 15.8197; 69.978; 71.369; 85.244;  

COD ID: 1515013
CIF file Formula: - C42 H70 Cl3 Co2 N7 O2 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P 1 21/n 1
Cell volume: 4662.54
Cell parameters: 15.09; 20.2875; 15.702; 90; 104.082; 90;  

COD ID: 1515014
CIF file Formula: - C46 H76 Cl2 Co2 N6 O4 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: P -1
Cell volume: 2448.45
Cell parameters: 11.3806; 13.8405; 15.7508; 96.278; 96.347; 91.87;  

COD ID: 1515015
CIF file Formula: - C45.5 H73 Cl11 Co2 N6 O2 -
Comments: Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science 3(4) (2012) 1245
Space group: C 1 2/c 1
Cell volume: 12003.2
Cell parameters: 35.3728; 20.4934; 19.9836; 90; 124.046; 90;  

COD ID: 1515016
CIF file Formula: - C24 H28 Cl8 I4 N8 O8 -
Comments: Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science 3(4) (2012) 1235
Space group: P 42/n m c :2
Cell volume: 2323.99
Cell parameters: 18.1726; 18.1726; 7.0372; 90; 90; 90;  

COD ID: 1515017
CIF file Formula: - C23 H29 Cl3 I4 N8 O8 -
Comments: Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science 3(4) (2012) 1235
Space group: C 1 2/c 1
Cell volume: 3688.03
Cell parameters: 26.3584; 7.034; 21.0654; 90; 109.216; 90;  

COD ID: 1515018
CIF file Formula: - C26 H36 Cl8 I4 N8 O8 -
Comments: Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science 3(4) (2012) 1235
Space group: P 43 21 2
Cell volume: 4642.34
Cell parameters: 17.2587; 17.2587; 15.5855; 90; 90; 90;  

COD ID: 1515019
CIF file Formula: - C26 H40 I4 N12 O16 -
Comments: Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science 3(4) (2012) 1235
Space group: I -4 c 2
Cell volume: 4143.37
Cell parameters: 16.8566; 16.8566; 14.5819; 90; 90; 90;  

COD ID: 1515020
CIF file Formula: - C29 H36 I4 N8 O8 -
Comments: Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science 3(4) (2012) 1235
Space group: C 1 2/c 1
Cell volume: 3662.29
Cell parameters: 26.0769; 7.0625; 20.9842; 90; 108.622; 90;  

COD ID: 1515022
CIF file Formula: - C90 H77 N12 O7 U3 -
Comments: Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science 3(4) (2012) 1075
Space group: P 1 21/n 1
Cell volume: 8232.7
Cell parameters: 16.7294; 16.6323; 29.5917; 90; 90.954; 90;  

COD ID: 1515023
CIF file Formula: - C29 H23 Cl3 N4 O2 U -
Comments: Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science 3(4) (2012) 1075
Space group: P -1
Cell volume: 1392.11
Cell parameters: 7.2599; 12.1368; 16.1046; 99.775; 90.893; 95.133;  

COD ID: 1515024
CIF file Formula: - C57.5 H44.25 N8.75 O5 U2 -
Comments: Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science 3(4) (2012) 1075
Space group: C 1 2/c 1
Cell volume: 20954.7
Cell parameters: 27.1234; 27.366; 28.2322; 90; 90.531; 90;  

COD ID: 1515025
CIF file Formula: - C52 H66 Cl2 Hg N O Sb -
Comments: Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science 3(4) (2012) 1128
Space group: P 1 21/n 1
Cell volume: 4743
Cell parameters: 11.172; 34.082; 12.621; 90; 99.244; 90;  

COD ID: 1515026
CIF file Formula: - C57 H60 F6 Hg N6 O P Sb -
Comments: Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science 3(4) (2012) 1128
Space group: C 1 c 1
Cell volume: 5341
Cell parameters: 18.171; 28.753; 13.422; 90; 130.397; 90;  

COD ID: 1515027
CIF file Formula: - C68 H52 F2 Hg2 O Sb2 -
Comments: Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science 3(4) (2012) 1128
Space group: P -1
Cell volume: 2672
Cell parameters: 12.689; 13.651; 16.06; 97.184; 95.058; 102.804;  

COD ID: 1515028
CIF file Formula: - C38 H34 F6 Hg O1.5 P Sb -
Comments: Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science 3(4) (2012) 1128
Space group: P 1 21/c 1
Cell volume: 3337.6
Cell parameters: 13.2206; 21.054; 13.5998; 90; 118.154; 90;  

COD ID: 1515029
CIF file Formula: - C18 H29 I N4 O Pd S2 -
Comments: Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science 3(4) (2012) 1211
Space group: P -1
Cell volume: 2376
Cell parameters: 11.0114; 14.456; 15.04; 86.364; 88.837; 84.021;  

COD ID: 1515030
CIF file Formula: - C28 H33 N5 Pd S3 -
Comments: Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science 3(4) (2012) 1211
Space group: P -1
Cell volume: 1475.5
Cell parameters: 9.4934; 12.8359; 12.9362; 85.96; 70.27; 84.36;  

COD ID: 1515031
CIF file Formula: - C88 H178 Cu5 Ga30 N23 S54 -
Comments: Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science 3(4) (2012) 1200
Space group: P -1
Cell volume: 9322
Cell parameters: 22.414; 23.022; 23.782; 95.8178; 116.725; 114.544;  

COD ID: 1515032
CIF file Formula: - C97.5 H192 Cl Cu5 Ga30 N24 S53.5 -
Comments: Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science 3(4) (2012) 1200
Space group: P -1
Cell volume: 9985
Cell parameters: 22.168; 22.846; 24.663; 115.174; 111.389; 96.407;  

COD ID: 1515033
CIF file Formula: - C108 H210 Cl2 Cu5 In30 N25 S54 -
Comments: Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science 3(4) (2012) 1200
Space group: C 1 2/c 1
Cell volume: 44423
Cell parameters: 23.617; 40.808; 46.252; 90; 94.748; 90;  

COD ID: 1515034
CIF file Formula: - C90 H186 Cu5 Ga30 N23 S56 -
Comments: Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science 3(4) (2012) 1200
Space group: P 63/m
Cell volume: 19419
Cell parameters: 23.018; 23.018; 42.321; 90; 90; 120;  

COD ID: 1515035
CIF file Formula: - C42 H46 Fe N2 O9 -
Comments: Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science 3(4) (2012) 1080
Space group: P 1 21/c 1
Cell volume: 3863
Cell parameters: 13.831; 16.175; 18.572; 90; 111.6; 90;  

COD ID: 1515036
CIF file Formula: - C74 H84 Cl Fe N5 O17 -
Comments: Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science 3(4) (2012) 1080
Space group: P -1
Cell volume: 3649.6
Cell parameters: 11.106; 17.783; 19.841; 95.61; 100.94; 106.08;  

COD ID: 1515037
CIF file Formula: - C152 H172 Cl14 Fe2 N10 O34 -
Comments: Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science 3(4) (2012) 1080
Space group: P -1
Cell volume: 7845.3
Cell parameters: 15.7014; 18.6485; 28.3126; 98.202; 99.703; 102.308;  

COD ID: 1515038
CIF file Formula: - C76 H92 Cl Fe N5 O17 S2 -
Comments: Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science 3(4) (2012) 1080
Space group: P 1 21/c 1
Cell volume: 7994.6
Cell parameters: 14.26; 39.5; 14.26; 90; 95.55; 90;  

COD ID: 1515039
CIF file Formula: - C93 H117 F6 N7 O8 Pt2 S2 -
Comments: Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI) Chemical Science 3(4) (2012) 1185
Space group: P -1
Cell volume: 11622.6
Cell parameters: 19.5557; 20.1957; 30.683; 99.204; 101.673; 95.081;  

COD ID: 1515040
CIF file Formula: - C69 H93 Cu2 Dy6 N11 O54 -
Comments: Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science 3(4) (2012) 1169
Space group: P 1 21 1
Cell volume: 5329.8
Cell parameters: 11.2309; 23.8183; 20.3932; 90; 102.308; 90;  

COD ID: 1515041
CIF file Formula: - C69 H93 Cu2 Gd6 N11 O54 -
Comments: Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science 3(4) (2012) 1169
Space group: P 1 21 1
Cell volume: 5506.5
Cell parameters: 11.3478; 24.0164; 20.6607; 90; 102.06; 90;  

COD ID: 1515042
CIF file Formula: - C69 H93 Cu2 Dy6 N11 O54 -
Comments: Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science 3(4) (2012) 1169
Space group: P 1 21 1
Cell volume: 5428
Cell parameters: 11.259; 24.017; 20.506; 90; 101.793; 90;  

COD ID: 1515043
CIF file Formula: - C69 H93 Cu2 N11 O54 Y6 -
Comments: Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science 3(4) (2012) 1169
Space group: P 1 21 1
Cell volume: 5509.9
Cell parameters: 11.36; 24; 20.66; 90; 101.988; 90;  

COD ID: 1515044
CIF file Formula: - C29 H26 Cl N3 O5 -
Comments: Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science 3(4) (2012) 1231
Space group: P 21 21 21
Cell volume: 2692.4
Cell parameters: 9.5107; 10.1897; 27.7823; 90; 90; 90;  

COD ID: 1515045
CIF file Formula: - C21 H21 Br N2 O4 -
Comments: Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science 3(4) (2012) 1231
Space group: C 1 2 1
Cell volume: 2171.6
Cell parameters: 21.316; 6.3205; 17.4926; 90; 112.859; 90;  

COD ID: 1515046
CIF file Formula: - C50 H28 Cr Dy2 F38 N5 O16 -
Comments: Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science 3(4) (2012) 1024
Space group: C 1 2/c 1
Cell volume: 7021.8
Cell parameters: 26.3208; 15.7874; 18.718; 90; 115.474; 90;  

COD ID: 1515047
CIF file Formula: - C40 H24 Cr Dy F26 N4 O8 -
Comments: Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science 3(4) (2012) 1024
Space group: P -1
Cell volume: 5226
Cell parameters: 12.515; 19.836; 21.392; 85.52; 81.35; 86.229;  

COD ID: 1515048
CIF file Formula: - C348 H354 Cl6 Co24 N6 O72 S24 -
Comments: Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges Chemical Science 3(7) (2012) 2321
Space group: I a -3
Cell volume: 116545
Cell parameters: 48.8463; 48.8463; 48.8463; 90; 90; 90;  

COD ID: 1515049
CIF file Formula: - C74 H106 N4 O3 Y2 -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P -1
Cell volume: 3921
Cell parameters: 12.5958; 15.8; 20.902; 76.137; 76.659; 83.229;  

COD ID: 1515050
CIF file Formula: - C81 H114 Lu2 N4 O3 -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P -1
Cell volume: 3959.9
Cell parameters: 13.2117; 14.827; 23.057; 81.78; 73.628; 66.103;  

COD ID: 1515051
CIF file Formula: - C81 H123 N4 O4.5 Si Y2 -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P 1 21/n 1
Cell volume: 7967
Cell parameters: 13.0663; 38.724; 15.781; 90; 93.796; 90;  

COD ID: 1515052
CIF file Formula: - C83 H115 N5 O3 Y2 -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P 1 21/c 1
Cell volume: 9783
Cell parameters: 11.898; 23.121; 35.564; 90; 90.028; 90;  

COD ID: 1515053
CIF file Formula: - C88 H116 Lu2 N4 O3 -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P -1
Cell volume: 4031.9
Cell parameters: 13.437; 14.939; 22.326; 107.399; 102.549; 100.158;  

COD ID: 1515054
CIF file Formula: - C84 H108 Lu2 N4 O2 -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P -1
Cell volume: 4284
Cell parameters: 12.53; 16.733; 22.194; 107.824; 103.291; 91.97;  

COD ID: 1515055
CIF file Formula: - C80 H100 Lu2 N4 O -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P -1
Cell volume: 4388.8
Cell parameters: 15.161; 17.449; 18.27; 76.958; 76.864; 70.969;  

COD ID: 1515056
CIF file Formula: - C86 H108 N4 O2 Y2 -
Comments: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science 3(7) (2012) 2230
Space group: P -1
Cell volume: 4601.6
Cell parameters: 13.731; 15.277; 22.821; 97.855; 98.334; 99.894;  

COD ID: 1515057
CIF file Formula: - C159 H0 Co5 O25 -
Comments: Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science 3(7) (2012) 2288
Space group: P 1 21 1
Cell volume: 12470.3
Cell parameters: 19.3772; 34.3744; 20.7308; 90; 115.432; 90;  

COD ID: 1515058
CIF file Formula: - C159 H O24 Zn4 -
Comments: Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science 3(7) (2012) 2288
Space group: P 1 21 1
Cell volume: 12627.7
Cell parameters: 20.6536; 33.4974; 20.7926; 90; 118.619; 90;  

COD ID: 1515059
CIF file Formula: - C10 H18 N2 O4 S -
Comments: Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science 3(7) (2012) 2375
Space group: P 1 21/c 1
Cell volume: 1255.6
Cell parameters: 10.5431; 9.835; 12.1245; 90; 92.891; 90;  

COD ID: 1515060
CIF file Formula: - C19 H32 N2 O6 S -
Comments: Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science 3(7) (2012) 2375
Space group: P 1 21/c 1
Cell volume: 4344.1
Cell parameters: 10.1825; 21.4793; 20.4614; 90; 103.9; 90;  

COD ID: 1515061
CIF file Formula: - C15 H20 N2 O4 S -
Comments: Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science 3(7) (2012) 2375
Space group: P 1 21/n 1
Cell volume: 1517.3
Cell parameters: 5.8032; 20.518; 12.8411; 90; 97.101; 90;  

COD ID: 1515062
CIF file Formula: - C26 H26 N2 O4 S -
Comments: Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science 3(7) (2012) 2375
Space group: P 1 21/c 1
Cell volume: 2224.1
Cell parameters: 6.5173; 21.874; 15.6036; 90; 90.991; 90;  

COD ID: 1515063
CIF file Formula: - C13 H22 N2 O4 S -
Comments: Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science 3(7) (2012) 2375
Space group: P 1 21/c 1
Cell volume: 1500.3
Cell parameters: 13.355; 10.423; 11.32; 90; 107.797; 90;  

COD ID: 1515064
CIF file Formula: - C101.5 H146.5 O96 Pb14 -
Comments: Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties Chemical Science 3(7) (2012) 2282
Space group: P 21 21 21
Cell volume: 14640
Cell parameters: 15.6077; 24.196; 38.766; 90; 90; 90;  

COD ID: 1515065
CIF file Formula: - C96 H128 O89 Pb16 -
Comments: Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties Chemical Science 3(7) (2012) 2282
Space group: P 1 21 1
Cell volume: 8395
Cell parameters: 20.126; 18.866; 22.188; 90; 94.783; 90;  

COD ID: 1515066
CIF file Formula: - C22 H30 N4 O8 -
Comments: Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science 3(7) (2012) 2301
Space group: P 1 21/c 1
Cell volume: 1129.4
Cell parameters: 9.58; 16.55; 7.69; 90; 112.13; 90;  

COD ID: 1515067
CIF file Formula: - C24 H36 N4 O9 -
Comments: Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science 3(7) (2012) 2301
Space group: C 1 2/c 1
Cell volume: 2510.3
Cell parameters: 22.4706; 9.36; 16.0501; 90; 131.959; 90;  

COD ID: 1515068
CIF file Formula: - C20 H30 N6 O7 -
Comments: Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science 3(7) (2012) 2301
Space group: P 42/n :2
Cell volume: 2363.6
Cell parameters: 22.26; 22.26; 4.77; 90; 90; 90;  

COD ID: 1515069
CIF file Formula: - C84 H94 O12 -
Comments: Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro Size-selective synthesis of [9]‒[11] and [13]cycloparaphenylenes Chemical Science 3(7) (2012) 2340
Space group: P 21 21 21
Cell volume: 7253
Cell parameters: 9.824; 20.306; 36.358; 90; 90; 90;  

COD ID: 1515070
CIF file Formula: - C35.5 H31 Co N3 O9.5 -
Comments: Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework Chemical Science 3(10) (2012) 2993
Space group: P 1 21/c 1
Cell volume: 3531.9
Cell parameters: 12.565; 29.618; 9.858; 90; 105.695; 90;  

COD ID: 1515071
CIF file Formula: - C72 H66 Co2 N10 O18 -
Comments: Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework Chemical Science 3(10) (2012) 2993
Space group: P -1
Cell volume: 3734.2
Cell parameters: 10.09; 16.362; 24.453; 106.75; 92.97; 103.16;  

COD ID: 1515072
CIF file Formula: - C28 H26 O4 -
Comments: Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions Chemical Science 3(10) (2012) 3053
Space group: P 1 21/n 1
Cell volume: 2273.5
Cell parameters: 13.83; 8.0116; 21.166; 90; 104.203; 90;  

COD ID: 1515073
CIF file Formula: - C22 H25 N3 O7 -
Comments: Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions Chemical Science 3(10) (2012) 3053
Space group: C 1 c 1
Cell volume: 2180.5
Cell parameters: 15.778; 16.681; 8.324; 90; 95.55; 90;  

COD ID: 1515074
CIF file Formula: - C48 H32 -
Comments: Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science 3(10) (2012) 3018
Space group: P 1 21/n 1
Cell volume: 1934.66
Cell parameters: 12.9325; 8.0103; 19.3676; 90; 105.363; 90;  

COD ID: 1515075
CIF file Formula: - C60 H40 -
Comments: Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science 3(10) (2012) 3018
Space group: P 1 21/c 1
Cell volume: 2544.84
Cell parameters: 15.9075; 8.1405; 20.7418; 90; 108.655; 90;  

COD ID: 1515076
CIF file Formula: - C120 H40 -
Comments: Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science 3(10) (2012) 3018
Space group: P -1
Cell volume: 6087.1
Cell parameters: 12.8737; 19.0556; 27.2224; 69.54; 79.038; 79.051;  

COD ID: 1515077
CIF file Formula: - C81 H28 Cu2 O18 -
Comments: Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities Chemical Science 3(10) (2012) 3032
Space group: P b a n :2
Cell volume: 15343
Cell parameters: 28.532; 33.426; 16.0881; 90; 90; 90;  

COD ID: 1515078
CIF file Formula: - C34.71 H20 O8 Zn1.71 -
Comments: Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities Chemical Science 3(10) (2012) 3032
Space group: I -4 2 d
Cell volume: 45968.7
Cell parameters: 36.3615; 36.3615; 34.7679; 90; 90; 90;  

COD ID: 1515079
CIF file Formula: - C42 H74 I2 Mn2 O2 -
Comments: Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science 3(10) (2012) 2972
Space group: P -1
Cell volume: 1113.14
Cell parameters: 9.232; 9.9138; 13.3547; 105.125; 102.783; 100.418;  

COD ID: 1515080
CIF file Formula: - C78 H146 Mn5 -
Comments: Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science 3(10) (2012) 2972
Space group: C 1 2/c 1
Cell volume: 8088.5
Cell parameters: 27.5131; 12.7588; 25.2896; 90; 114.339; 90;  

COD ID: 1515081
CIF file Formula: - C78 H146 Mn5 -
Comments: Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science 3(10) (2012) 2972
Space group: C 1 2/c 1
Cell volume: 8064
Cell parameters: 27.484; 12.7411; 25.273; 90; 114.331; 90;  

COD ID: 1515082
CIF file Formula: - C26.5 H22 Cl3 N O3 -
Comments: Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols Chemical Science 3(10) (2012) 2949
Space group: P 1 21 1
Cell volume: 2315.36
Cell parameters: 10.149; 11.5785; 19.7361; 90; 93.295; 90;  

COD ID: 1515083
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 512.3
Cell parameters: 7.8946; 5.9692; 10.8812; 90; 92.454; 90;  

COD ID: 1515084
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 508.08
Cell parameters: 7.8401; 5.9549; 10.8935; 90; 92.556; 90;  

COD ID: 1515085
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 504.18
Cell parameters: 7.7899; 5.9402; 10.9075; 90; 92.67; 90;  

COD ID: 1515086
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 500.14
Cell parameters: 7.7378; 5.9245; 10.9232; 90; 92.821; 90;  

COD ID: 1515087
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 496.18
Cell parameters: 7.6885; 5.9097; 10.9351; 90; 92.984; 90;  

COD ID: 1515088
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 512.46
Cell parameters: 7.8926; 5.9767; 10.8739; 90; 92.47; 90;  

COD ID: 1515089
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 470.09
Cell parameters: 7.433; 5.8092; 10.9101; 90; 93.736; 90;  

COD ID: 1515090
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 445.78
Cell parameters: 7.2027; 5.6926; 10.9057; 90; 94.504; 90;  

COD ID: 1515091
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 428.61
Cell parameters: 7.0544; 5.6024; 10.8873; 90; 95.062; 90;  

COD ID: 1515092
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 420.86
Cell parameters: 6.992; 5.559; 10.875; 90; 95.344; 90;  

COD ID: 1515093
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 412.01
Cell parameters: 6.9259; 5.5072; 10.8549; 90; 95.667; 90;  

COD ID: 1515094
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 405.02
Cell parameters: 6.871; 5.467; 10.8393; 90; 95.878; 90;  

COD ID: 1515095
CIF file Formula: - C4 H5 Ag N2 -
Comments: Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science 3(10) (2012) 3011
Space group: P 1 21/n 1
Cell volume: 398.93
Cell parameters: 6.828; 5.4298; 10.8209; 90; 96.076; 90;  

COD ID: 1515096
CIF file Formula: - C69 H54 Ag F9 N8 O9 S3 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21/c 1
Cell volume: 7595.7
Cell parameters: 17.533; 20.0767; 21.7131; 90; 96.387; 90;  

COD ID: 1515097
CIF file Formula: - C136 H104 Ag4 F12 N16 O12 S4 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 2/n 1
Cell volume: 6900.7
Cell parameters: 17.1508; 16.7972; 24.955; 90; 106.286; 90;  

COD ID: 1515098
CIF file Formula: - C132 H104 Ag4 F24 N16 P4 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P -1
Cell volume: 7543
Cell parameters: 14.122; 17.707; 32.571; 93.111; 97.694; 109.952;  

COD ID: 1515099
CIF file Formula: - C68 H52 F6 N8 O6 Pt S2 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21/c 1
Cell volume: 7346.9
Cell parameters: 28.295; 8.808; 29.743; 90; 97.637; 90;  

COD ID: 1515100
CIF file Formula: - C72 H64 F6 N8 O8 Ru S4 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21/n 1
Cell volume: 3627.7
Cell parameters: 12.306; 18.427; 16.292; 90; 100.907; 90;  

COD ID: 1515101
CIF file Formula: - C69 H54 Cl2 Co F6 N8 O6 S2 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21/n 1
Cell volume: 6304
Cell parameters: 16.995; 13.564; 27.388; 90; 93.097; 90;  

COD ID: 1515102
CIF file Formula: - C70 H58 Cl2 Cr F6 N10 P -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21 1
Cell volume: 3166
Cell parameters: 12.1931; 13.7529; 18.886; 90; 91.471; 90;  

COD ID: 1515103
CIF file Formula: - C68 H54 Ag3 Cl4 F3 N8 O3 S -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: C 1 2/c 1
Cell volume: 12580.1
Cell parameters: 33.096; 16.4589; 26.678; 90; 120.04; 90;  

COD ID: 1515104
CIF file Formula: - C68 H52 F6 N8 O6 Pd S2 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21/c 1
Cell volume: 7341.8
Cell parameters: 28.29; 8.8229; 29.69; 90; 97.815; 90;  

COD ID: 1515105
CIF file Formula: - C68 H52 F6 N8 Ni O6 S2 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21/n 1
Cell volume: 14160.7
Cell parameters: 17.1544; 28.6906; 29.7309; 90; 104.592; 90;  

COD ID: 1515106
CIF file Formula: - C66 H52 F6 I2 N8 P Rh -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21 1
Cell volume: 3273
Cell parameters: 12.646; 13.785; 18.779; 90; 90.702; 90;  

COD ID: 1515107
CIF file Formula: - C69 H52 Au F9 N8 O9 S3 -
Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081
Space group: P 1 21/n 1
Cell volume: 6884.7
Cell parameters: 18.2751; 13.6076; 27.721; 90; 92.926; 90;  

COD ID: 1515108
CIF file Formula: - C45 H35 Cl4 Co2 F18 N10 O2 P3 -
Comments: Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science 3(10) (2012) 3058
Space group: P 1 21/c 1
Cell volume: 6158.5
Cell parameters: 13.6543; 24.252; 18.6535; 90; 94.437; 90;  

COD ID: 1515109
CIF file Formula: - C47 H53 Co2 F18 N14 O3 P3 -
Comments: Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science 3(10) (2012) 3058
Space group: P -1
Cell volume: 2648
Cell parameters: 12.15; 13.31; 17.433; 95.7; 96.001; 107.53;  

COD ID: 1515110
CIF file Formula: - C25 H29 Br2 Cl3 N2 O2 -
Comments: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science 3(10) (2012) 2986
Space group: P 1 21/n 1
Cell volume: 2733
Cell parameters: 8.6872; 24.892; 12.6503; 90; 92.44; 90;  

COD ID: 1515111
CIF file Formula: - C23 H29 Br2 Cl3 N2 -
Comments: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science 3(10) (2012) 2986
Space group: P 1 2/c 1
Cell volume: 2660.7
Cell parameters: 18.893; 8.2648; 17.927; 90; 108.099; 90;  

COD ID: 1515112
CIF file Formula: - C22.5 H27.5 Br2 Cl4.5 N2 -
Comments: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science 3(10) (2012) 2986
Space group: P b c a
Cell volume: 11370
Cell parameters: 28.784; 28.621; 13.801; 90; 90; 90;  

COD ID: 1515113
CIF file Formula: - C24 H28 N2 O3 -
Comments: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science 3(10) (2012) 2986
Space group: P -1
Cell volume: 1078.5
Cell parameters: 8.005; 8.772; 16.048; 91.431; 103.924; 98.836;  

COD ID: 1515114
CIF file Formula: - C26 H34 N2 O2 S2 -
Comments: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science 3(10) (2012) 2986
Space group: P 1 21/c 1
Cell volume: 2411
Cell parameters: 14.9337; 11.8693; 13.6108; 90; 92.054; 90;  

COD ID: 1515115
CIF file Formula: - C36 H38 N2 O2 S2 -
Comments: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science 3(10) (2012) 2986
Space group: P -1
Cell volume: 1588.5
Cell parameters: 11.0307; 12.136; 12.8498; 69.777; 79.796; 85.828;  

COD ID: 1515116
CIF file Formula: - C36 H34 N2 O4 -
Comments: Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science 3(10) (2012) 2986
Space group: P 1 21/n 1
Cell volume: 2868.2
Cell parameters: 11.5; 17.626; 14.155; 90; 91.498; 90;  

COD ID: 1515117
CIF file Formula: - C10 H10 B2 N2 -
Comments: Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science 3(3) (2012) 825
Space group: P b c n
Cell volume: 1951.2
Cell parameters: 19.076; 9.301; 10.997; 90; 90; 90;  

COD ID: 1515118
CIF file Formula: - C12 H10 B N -
Comments: Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science 3(3) (2012) 825
Space group: F d d 2
Cell volume: 4050
Cell parameters: 23.388; 31.934; 5.423; 90; 90; 90;  

COD ID: 1515119
CIF file Formula: - C19 H23 N7 O11 -
Comments: Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science 3(3) (2012) 683
Space group: P -1
Cell volume: 1196.4
Cell parameters: 9.537; 11.248; 12.439; 107.701; 97.463; 104.937;  

COD ID: 1515120
CIF file Formula: - C19 H23 N7 O11 -
Comments: Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science 3(3) (2012) 683
Space group: P -1
Cell volume: 1204
Cell parameters: 9.51; 11.31; 12.46; 107.583; 97.533; 104.719;  

COD ID: 1515121
CIF file Formula: - C19 H23 N7 O11 -
Comments: Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science 3(3) (2012) 683
Space group: P -1
Cell volume: 1214
Cell parameters: 9.525; 11.38; 12.488; 107.619; 97.507; 104.894;  

COD ID: 1515122
CIF file Formula: - C22 H22 O4 -
Comments: Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science 3(3) (2012) 766
Space group: P 1 21/c 1
Cell volume: 1923
Cell parameters: 9.534; 19.6; 10.977; 90; 110.365; 90;  

COD ID: 1515123
CIF file Formula: - C22 H29 N O4 -
Comments: Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science 3(3) (2012) 766
Space group: P 1 21/c 1
Cell volume: 2054.8
Cell parameters: 16.399; 7.8427; 16.851; 90; 108.538; 90;  

COD ID: 1515124
CIF file Formula: - C14 H16 O5 -
Comments: Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science 3(3) (2012) 766
Space group: P 1 21/n 1
Cell volume: 2703.9
Cell parameters: 14.348; 11.622; 16.672; 90; 103.442; 90;  

COD ID: 1515125
CIF file Formula: - C21 H29 N O4 -
Comments: Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science 3(3) (2012) 766
Space group: P 1 21/n 1
Cell volume: 2015.4
Cell parameters: 11.21; 16.029; 11.499; 90; 102.731; 90;  

COD ID: 1515126
CIF file Formula: - C19 H21 N3 O4 -
Comments: Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science 3(3) (2012) 766
Space group: I b a 2
Cell volume: 3726.6
Cell parameters: 17.443; 21.703; 9.844; 90; 90; 90;  

COD ID: 1515127
CIF file Formula: - C46 H63 N5 Ti -
Comments: Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science 3(3) (2012) 819
Space group: P -1
Cell volume: 2418.67
Cell parameters: 9.6914; 12.1082; 22.0163; 80.771; 79.72; 73.3185;  

COD ID: 1515128
CIF file Formula: - C52 H69 Li3 N6 Ti -
Comments: Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science 3(3) (2012) 819
Space group: P 1 21 1
Cell volume: 2557.8
Cell parameters: 10.2991; 19.4178; 13.0747; 90; 101.982; 90;  

COD ID: 1515129
CIF file Formula: - C57.5 H82.5 Li2 N5.5 O0.5 Ti -
Comments: Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science 3(3) (2012) 819
Space group: P n a 21
Cell volume: 5553.22
Cell parameters: 18.4575; 16.9731; 17.726; 90; 90; 90;  

COD ID: 1515130
CIF file Formula: - C40 H46 N2 O14 Ru2 -
Comments: Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science 3(3) (2012) 701
Space group: C 1 2/c 1
Cell volume: 4946.3
Cell parameters: 23.769; 15.938; 13.3495; 90; 102.022; 90;  

COD ID: 1515131
CIF file Formula: - C259 H247 Cl69 N8 O56 Ru8 -
Comments: Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science 3(3) (2012) 701
Space group: P -1
Cell volume: 9699
Cell parameters: 16.0499; 24.504; 26.963; 70.041; 77.399; 81.696;  

COD ID: 1515132
CIF file Formula: - C122 H120 Cl8 N4 O28 Ru4 -
Comments: Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science 3(3) (2012) 701
Space group: P -1
Cell volume: 3766.9
Cell parameters: 12.0083; 15.379; 20.885; 85.969; 78.367; 87.615;  

COD ID: 1515133
CIF file Formula: - C28 H24 Au F6 N4 P -
Comments: Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations Chemical Science 3(3) (2012) 752
Space group: P 1 21/c 1
Cell volume: 2704.3
Cell parameters: 16.2749; 7.2655; 22.8836; 90; 91.975; 90;  

COD ID: 1515134
CIF file Formula: - F6 Fe2 Rb -
Comments: Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J. RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride Chemical Science 3(3) (2012) 741
Space group: P n m a
Cell volume: 532.04
Cell parameters: 7.0177; 7.4499; 10.1765; 90; 90; 90;  

COD ID: 1515135
CIF file Formula: - C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -
Comments: Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science 3(3) (2012) 778
Space group: P -1
Cell volume: 3012.7
Cell parameters: 12.85; 15.422; 16.768; 66.868; 88.549; 80.667;  

COD ID: 1515136
CIF file Formula: - C76 H56 Cl4 N16 Pd2 Pt2 -
Comments: Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science 3(3) (2012) 778
Space group: P -1
Cell volume: 2493.3
Cell parameters: 11.9663; 12.345; 17.495; 76.455; 83.846; 85.135;  

COD ID: 1515138
CIF file Formula: - C24 H32 Fe -
Comments: Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science 3(3) (2012) 830
Space group: P -1
Cell volume: 1909.2
Cell parameters: 9.731; 11.057; 18.275; 89.321; 76.443; 87.163;  

COD ID: 1515139
CIF file Formula: - C18 H16 Fe -
Comments: Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science 3(3) (2012) 830
Space group: P 1 21/c 1
Cell volume: 1287.3
Cell parameters: 8.2905; 11.7186; 13.8485; 90; 106.91; 90;  

COD ID: 1515140
CIF file Formula: - C12 H8 D4 Fe -
Comments: Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science 3(3) (2012) 830
Space group: P b c a
Cell volume: 1775.85
Cell parameters: 7.3925; 12.3693; 19.4209; 90; 90; 90;  

COD ID: 1515141
CIF file Formula: - C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3 -
Comments: Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties Chemical Science 3(3) (2012) 705
Space group: C 1 2/c 1
Cell volume: 9313.8
Cell parameters: 30.829; 14.572; 24.908; 90; 123.658; 90;  

COD ID: 1515142
CIF file Formula: - C104.75 H113.5 Dy2 N10 O16.25 -
Comments: Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science 3(6) (2012) 2158
Space group: P 1 21/n 1
Cell volume: 10151.4
Cell parameters: 21.5894; 20.9227; 23.8146; 90; 109.321; 90;  

COD ID: 1515143
CIF file Formula: - C129.5 H133.5 Dy2 N10.5 O17.5 -
Comments: Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science 3(6) (2012) 2158
Space group: P -1
Cell volume: 6102.5
Cell parameters: 14.3544; 18.9741; 23.049; 86.019; 81.988; 79.315;  

COD ID: 1515144
CIF file Formula: - C144.5 H165 Dy2 N10 O19.5 -
Comments: Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science 3(6) (2012) 2158
Space group: P 1 21/n 1
Cell volume: 14004
Cell parameters: 11.784; 22.87; 52.23; 90; 95.811; 90;  

COD ID: 1515145
CIF file Formula: - C28 H29 N O S -
Comments: Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro Hindered biaryls by C‒H coupling: bisoxazoline-Pd catalysis leading to enantioselective C‒H coupling Chemical Science 3(6) (2012) 2165
Space group: P 21 21 21
Cell volume: 2346
Cell parameters: 9.357; 13.439; 18.66; 90; 90; 90;  

COD ID: 1515146
CIF file Formula: - C6 H3 N4 Ni0.1 O3.25 Zn -
Comments: Brozek, Carl K.; Dincă, Mircea Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+ Chemical Science 3(6) (2012) 2110
Space group: F m -3 m
Cell volume: 17249.5
Cell parameters: 25.838; 25.838; 25.838; 90; 90; 90;  

COD ID: 1515147
CIF file Formula: - C21 H15 Br N2 O2 -
Comments: Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D. Catalytic asymmetric α-amination of carboxylic acids using isothioureas Chemical Science 3(6) (2012) 2088
Space group: P 21 21 21
Cell volume: 1761.1
Cell parameters: 8.712; 12.244; 16.51; 90; 90; 90;  

COD ID: 1515148
CIF file Formula: - C49.9 H48.6 Cl0.2 N O3.9 S -
Comments: Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect Chemical Science 3(6) (2012) 1804
Space group: P 1 21/c 1
Cell volume: 3966.2
Cell parameters: 20.1837; 9.1091; 23.0754; 90; 110.794; 90;  

COD ID: 1515149
CIF file Formula: - C8 H4 Br2 O2 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: C 1 2/c 1
Cell volume: 850.86
Cell parameters: 17.3296; 3.8995; 13.8867; 90; 114.947; 90;  

COD ID: 1515150
CIF file Formula: - C16 H8 Br2 O4 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: C 1 2/c 1
Cell volume: 1438.72
Cell parameters: 13.2036; 7.7069; 14.7968; 90; 107.154; 90;  

COD ID: 1515151
CIF file Formula: - C32 H16 Br2 O8 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: C 1 2/c 1
Cell volume: 2647.35
Cell parameters: 13.3084; 6.8541; 29.076; 90; 93.477; 90;  

COD ID: 1515152
CIF file Formula: - C12 H6 I2 O3 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: P 1 21/c 1
Cell volume: 1286.13
Cell parameters: 8.6955; 11.3755; 13.3637; 90; 103.355; 90;  

COD ID: 1515153
CIF file Formula: - C20 H10 Br2 O5 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: C 1 c 1
Cell volume: 1762
Cell parameters: 8.1262; 15.991; 13.825; 90; 101.243; 90;  

COD ID: 1515154
CIF file Formula: - C28 H14 Br2 O7 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: P -1
Cell volume: 1188.6
Cell parameters: 7.3671; 12.397; 13.127; 92.975; 93.428; 95.781;  

COD ID: 1515155
CIF file Formula: - C24 H12 Br2 O6 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: P -1
Cell volume: 508.68
Cell parameters: 6.9255; 7.3969; 11.6514; 72.785; 78.03; 63.603;  

COD ID: 1515156
CIF file Formula: - C24 H14 O6 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: P 1 21/a 1
Cell volume: 915.66
Cell parameters: 5.9382; 22.9614; 6.718; 90; 91.539; 90;  

COD ID: 1515157
CIF file Formula: - C8 H6 O2 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: P 1 21/n 1
Cell volume: 978.66
Cell parameters: 8.9805; 7.2435; 15.1904; 90; 97.9427; 90;  

COD ID: 1515158
CIF file Formula: - C12 H8 O3 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: P c a 21
Cell volume: 933.88
Cell parameters: 24.2219; 5.1953; 7.4212; 90; 90; 90;  

COD ID: 1515159
CIF file Formula: - C12 H6 O3 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: C 1 2/c 1
Cell volume: 850.27
Cell parameters: 15.185; 8.7609; 7.1418; 90; 116.501; 90;  

COD ID: 1515160
CIF file Formula: - C16 H8 O4 -
Comments: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science 3(6) (2012) 2133
Space group: A b a 2
Cell volume: 3670.12
Cell parameters: 8.8594; 8.8592; 46.7607; 90; 90; 90;  

COD ID: 1515161
CIF file Formula: - C40 H34 N10 O9 -
Comments: Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science 3(6) (2012) 2042
Space group: P 21 21 21
Cell volume: 3626.4
Cell parameters: 10.3551; 13.6824; 25.595; 90; 90; 90;  

COD ID: 1515162
CIF file Formula: - C40 H32 Cl2 N10 O8 -
Comments: Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science 3(6) (2012) 2042
Space group: P 21 21 21
Cell volume: 3666.9
Cell parameters: 10.5103; 13.662; 25.537; 90; 90; 90;  

COD ID: 1515163
CIF file Formula: - C40 H32 Cl2 N10 O8 -
Comments: Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science 3(6) (2012) 2042
Space group: P 21 21 21
Cell volume: 3661.5
Cell parameters: 10.5003; 13.6695; 25.51; 90; 90; 90;  

COD ID: 1515164
CIF file Formula: - C41 H33.25 Cl0.25 F N9 O8.75 -
Comments: Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science 3(6) (2012) 2042
Space group: P 21 21 21
Cell volume: 3659.7
Cell parameters: 10.4183; 13.6836; 25.671; 90; 90; 90;  

COD ID: 1515165
CIF file Formula: - C41 H33 N9 O9 -
Comments: Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science 3(6) (2012) 2042
Space group: P 1 21/n 1
Cell volume: 3674
Cell parameters: 7.8466; 33.387; 14.0698; 90; 94.602; 90;  

COD ID: 1515166
CIF file Formula: - C46 H36 N10 O9 -
Comments: Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science 3(6) (2012) 2042
Space group: P -1
Cell volume: 2051.8
Cell parameters: 10.611; 12.959; 16.4525; 73.499; 77.989; 72.668;  

COD ID: 1515167
CIF file Formula: - C32 H60 N4 O6 Rh2 -
Comments: Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science 3(6) (2012) 1785
Space group: P 1 21/c 1
Cell volume: 1865.64
Cell parameters: 6.9865; 19.2728; 14.239; 90; 103.327; 90;  

COD ID: 1515168
CIF file Formula: - C20 H34 N6 O6 Rh2 -
Comments: Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science 3(6) (2012) 1785
Space group: P 1 21/n 1
Cell volume: 2393.71
Cell parameters: 16.372; 8.7441; 17.2355; 90; 104.039; 90;  

COD ID: 1515169
CIF file Formula: - C108 H168 N12 -
Comments: Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science 3(6) (2012) 2153
Space group: C 2 2 21
Cell volume: 12743.8
Cell parameters: 18.9708; 25.2751; 26.5778; 90; 90; 90;  

COD ID: 1515170
CIF file Formula: - C123 H195 Cl9 N12 -
Comments: Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science 3(6) (2012) 2153
Space group: I 2 3
Cell volume: 7118
Cell parameters: 19.2362; 19.2362; 19.2362; 90; 90; 90;  

COD ID: 1515172
CIF file Formula: - C49 H50 F O9 P -
Comments: Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science 3(6) (2012) 1866
Space group: P 21 21 2
Cell volume: 4463.2
Cell parameters: 24.661; 27.676; 6.5393; 90; 90; 90;  

COD ID: 1515173
CIF file Formula: - C49 H50 F O9 P -
Comments: Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science 3(6) (2012) 1866
Space group: P 1 21 1
Cell volume: 2128.9
Cell parameters: 17.7436; 5.5873; 22.281; 90; 105.469; 90;  

COD ID: 1515174
CIF file Formula: - C18 H21 Au N3 P -
Comments: Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line Chemical Science 3(6) (2012) 2062
Space group: P 21 21 21
Cell volume: 3681
Cell parameters: 10.131; 16.286; 22.312; 90; 90; 90;  

COD ID: 1515175
CIF file Formula: - C44 H57 I2 N7 O -
Comments: Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate Chemical Science 3(6) (2012) 1819
Space group: P 1 21/c 1
Cell volume: 4606.6
Cell parameters: 9.249; 36.15; 14.659; 90; 109.97; 90;  

COD ID: 1515176
CIF file Formula: - C35.5 B Cl D F25 O -
Comments: Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science 3(6) (2012) 1814
Space group: C 1 2/c 1
Cell volume: 6751.1
Cell parameters: 28.351; 13.1576; 19.608; 90; 112.633; 90;  

COD ID: 1515177
CIF file Formula: - C41.25 H10.5 B Cl0.25 F25 N2 -
Comments: Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science 3(6) (2012) 1814
Space group: P -1
Cell volume: 3943.8
Cell parameters: 11.003; 19.158; 20.004; 76.77; 85.03; 73.96;  

COD ID: 1515178
CIF file Formula: - C23 H22 O5 -
Comments: Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun Asymmetric Diels‒Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity Chemical Science 3(6) (2012) 1879
Space group: P 1
Cell volume: 476.75
Cell parameters: 7.7512; 8.1381; 8.4256; 69.558; 79.669; 74.031;  

COD ID: 1515179
CIF file Formula: - C12 H12 O3 -
Comments: Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science 3(6) (2012) 1975
Space group: P 1 21/c 1
Cell volume: 997.9
Cell parameters: 11.846; 6.8888; 12.417; 90; 99.999; 90;  

COD ID: 1515180
CIF file Formula: - C13 H14 O3 -
Comments: Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science 3(6) (2012) 1975
Space group: P -1
Cell volume: 2346
Cell parameters: 9.013; 9.018; 28.9; 87.731; 87.947; 89.841;  

COD ID: 1515181
CIF file Formula: - C16 H18 O2 S2 -
Comments: Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science 3(6) (2012) 1975
Space group: P 1 21/c 1
Cell volume: 1503.2
Cell parameters: 7.089; 15.631; 13.579; 90; 92.518; 90;  

COD ID: 1515182
CIF file Formula: - C18 H16 O2 -
Comments: Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science 3(6) (2012) 1975
Space group: P n a 21
Cell volume: 2733
Cell parameters: 19.372; 5.761; 24.488; 90; 90; 90;  

COD ID: 1515183
CIF file Formula: - C30 H32 B F16 O P -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P -1
Cell volume: 1573.5
Cell parameters: 11.177; 11.228; 13.582; 69.214; 82.733; 82.327;  

COD ID: 1515184
CIF file Formula: - C21 H14 B F16 O P -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P 1 21/c 1
Cell volume: 2351.6
Cell parameters: 16.1479; 9.9549; 15.5394; 90; 109.713; 90;  

COD ID: 1515185
CIF file Formula: - C25 H14 B F16 N O -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P -1
Cell volume: 1256.7
Cell parameters: 9.1801; 10.333; 13.984; 82.073; 74.808; 80.634;  

COD ID: 1515186
CIF file Formula: - C27 H24 B F16 N O -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P 1 21/n 1
Cell volume: 2836.4
Cell parameters: 11.1705; 16.0049; 15.9286; 90; 95.113; 90;  

COD ID: 1515187
CIF file Formula: - C25.5 H17 B Cl F16 N O -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P -1
Cell volume: 2708.1
Cell parameters: 11.938; 15.0103; 16.2877; 108.689; 100.946; 90.15;  

COD ID: 1515188
CIF file Formula: - C26 H18 B F16 N O -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P 1 21/n 1
Cell volume: 2628
Cell parameters: 9.4047; 11.0955; 25.2965; 90; 95.391; 90;  

COD ID: 1515189
CIF file Formula: - C29 H22 B F16 N2 O -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P -1
Cell volume: 3420.7
Cell parameters: 10.7955; 17.5647; 20.0048; 67.706; 77.881; 89.561;  

COD ID: 1515190
CIF file Formula: - C43.99 H27.98 B Cl1.98 F16 O P -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P 1 21/c 1
Cell volume: 4166.3
Cell parameters: 17.2019; 14.7018; 16.5689; 90; 96.135; 90;  

COD ID: 1515191
CIF file Formula: - C28 H28 B F16 N O -
Comments: Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science 3(6) (2012) 2123
Space group: P 1 21/n 1
Cell volume: 2914.5
Cell parameters: 11.1411; 17.8797; 14.7969; 90; 98.591; 90;  

COD ID: 1515192
CIF file Formula: - C8 H10 N12 O Zn -
Comments: Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery Chemical Science 3(6) (2012) 2114
Space group: R -3 :H
Cell volume: 7241.8
Cell parameters: 23.862; 23.862; 14.686; 90; 90; 120;  

COD ID: 1515193
CIF file Formula: - C44 H38 N6 O2 S6 Zn2 -
Comments: Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science 3(6) (2012) 2015
Space group: P -1
Cell volume: 2041.3
Cell parameters: 12.575; 13.205; 14.031; 112.044; 95.622; 104.585;  

COD ID: 1515194
CIF file Formula: - C31 H47 B N6 O3 Zn -
Comments: Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science 3(6) (2012) 2015
Space group: P 1 21/n 1
Cell volume: 3314
Cell parameters: 10.75; 19.725; 15.634; 90; 91.283; 90;  

COD ID: 1515195
CIF file Formula: - C39 H30 N6 O3 S6 Zn2 -
Comments: Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science 3(6) (2012) 2015
Space group: P 1 21/c 1
Cell volume: 3959.8
Cell parameters: 22.3176; 10.4067; 17.2733; 90; 99.229; 90;  

COD ID: 1515196
CIF file Formula: - C23 H19 N3 O3 S3 Zn -
Comments: Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science 3(6) (2012) 2015
Space group: P 1 21/n 1
Cell volume: 2344.9
Cell parameters: 8.928; 14.6268; 18.4948; 90; 103.861; 90;  

COD ID: 1515197
CIF file Formula: - C35 H28 N6 O3.5 S6 Zn2 -
Comments: Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science 3(6) (2012) 2015
Space group: C 1 2/c 1
Cell volume: 7481
Cell parameters: 31.669; 8.7545; 28.505; 90; 108.802; 90;  

COD ID: 1515198
CIF file Formula: - C40.75 H36 N6 O2 S6 Zn2 -
Comments: Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science 3(6) (2012) 2015
Space group: P -1
Cell volume: 4225.2
Cell parameters: 12.632; 15.474; 22.903; 93.59; 96.263; 107.39;  

COD ID: 1515199
CIF file Formula: - C33 H24 N6 O3 S6 Zn2 -
Comments: Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science 3(6) (2012) 2015
Space group: P 1 21/n 1
Cell volume: 3502
Cell parameters: 8.8656; 28.048; 14.4431; 90; 102.816; 90;  

COD ID: 1515200
CIF file Formula: - C48 H72 K2 N6 O18 -
Comments: Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science 3(5) (2012) 1436
Space group: P 1 21/n 1
Cell volume: 5389
Cell parameters: 22.76; 7.558; 31.61; 90; 97.626; 90;  

COD ID: 1515201
CIF file Formula: - C56 H104 N8 O10 P2 -
Comments: Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science 3(5) (2012) 1436
Space group: C 1 2/c 1
Cell volume: 6211.4
Cell parameters: 19.3998; 20.67; 16.7096; 90; 112.026; 90;  

COD ID: 1515205
CIF file Formula: - C39 H37 Cl2 N2 O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/c 1
Cell volume: 3679.6
Cell parameters: 10.7223; 21.7779; 16.3387; 90; 105.321; 90;  

COD ID: 1515206
CIF file Formula: - C39 H37 Cl2 N2 O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/c 1
Cell volume: 3684.7
Cell parameters: 10.7119; 21.742; 16.4105; 90; 105.404; 90;  

COD ID: 1515207
CIF file Formula: - C39 H37 Cl2 N2 O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/c 1
Cell volume: 3703.7
Cell parameters: 10.7245; 21.8948; 16.3488; 90; 105.251; 90;  

COD ID: 1515208
CIF file Formula: - C39 H37 Cl2 N2 O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/c 1
Cell volume: 3823
Cell parameters: 10.786; 22.362; 16.405; 90; 104.945; 90;  

COD ID: 1515209
CIF file Formula: - C39 H37 Cl2 N2 O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/c 1
Cell volume: 3720.1
Cell parameters: 10.7248; 22.0346; 16.3099; 90; 105.166; 90;  

COD ID: 1515210
CIF file Formula: - C39 H37 Cl2 N2 O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/c 1
Cell volume: 3687.7
Cell parameters: 10.7075; 21.8698; 16.3273; 90; 105.309; 90;  

COD ID: 1515211
CIF file Formula: - C39 H37 Cl2 N2 O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/c 1
Cell volume: 3657.7
Cell parameters: 10.6878; 21.7334; 16.3349; 90; 105.419; 90;  

COD ID: 1515212
CIF file Formula: - C50 H55 N5 O12 Pd2 -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P -1
Cell volume: 2430.9
Cell parameters: 11.125; 15.392; 15.758; 74.695; 77.903; 70.463;  

COD ID: 1515213
CIF file Formula: - C42 H48 N8 O12 Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P -1
Cell volume: 1073.86
Cell parameters: 8.435; 10.2678; 13.5105; 77.953; 76.502; 72.666;  

COD ID: 1515214
CIF file Formula: - C41 H40 Cl2 N O6 P Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: C 1 2/c 1
Cell volume: 8829.7
Cell parameters: 47.4181; 11.0136; 17.7382; 90; 107.608; 90;  

COD ID: 1515215
CIF file Formula: - C12 H25 N3 O4 Pd -
Comments: Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science 3(5) (2012) 1656
Space group: P 1 21/n 1
Cell volume: 1577.12
Cell parameters: 10.5351; 9.7782; 15.3104; 90; 90.555; 90;  

COD ID: 1515216
CIF file Formula: - C122 H124 Br2 Cl12 N8 O4 Zn2 -
Comments: Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science 3(5) (2012) 1541
Space group: P -1
Cell volume: 3069.2
Cell parameters: 10.337; 15.431; 19.611; 82.82; 84.35; 82.95;  

COD ID: 1515217
CIF file Formula: - C150 H162 N12 O2 Zn2 -
Comments: Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science 3(5) (2012) 1541
Space group: P -1
Cell volume: 3242.3
Cell parameters: 11.998; 14.379; 19.482; 82.891; 87.456; 76.474;  

COD ID: 1515218
CIF file Formula: - C154.044 H162.374 N11.518 O2 Zn2 -
Comments: Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science 3(5) (2012) 1541
Space group: P -1
Cell volume: 3543
Cell parameters: 10.038; 18.807; 19.38; 78.31; 84.46; 82.55;  

COD ID: 1515219
CIF file Formula: - C184 H178 N10 Zn2 -
Comments: Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science 3(5) (2012) 1541
Space group: P -1
Cell volume: 3653.1
Cell parameters: 11.254; 16.718; 19.85; 83.634; 79.865; 87.849;  

COD ID: 1515220
CIF file Formula: - C236 H235 Br2 Cl3 N16 O8 Zn4 -
Comments: Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science 3(5) (2012) 1541
Space group: P -1
Cell volume: 5478.4
Cell parameters: 15.4354; 16.6155; 21.9618; 98.915; 98.974; 93.126;  

COD ID: 1515221
CIF file Formula: - C172 H182 N16 Zn2 -
Comments: Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science 3(5) (2012) 1541
Space group: P -1
Cell volume: 3592
Cell parameters: 12.428; 14.323; 21.854; 80.953; 87.36; 69.226;  

COD ID: 1515222
CIF file Formula: - C28 H28 N4 O5 -
Comments: Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations Chemical Science 3(5) (2012) 1623
Space group: P 21 21 21
Cell volume: 2445.7
Cell parameters: 8.5307; 9.5523; 30.0128; 90; 90; 90;  

COD ID: 1515223
CIF file Formula: - C26 H25 N3 O3.35 Pd -
Comments: Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations Chemical Science 3(5) (2012) 1623
Space group: P 21 21 21
Cell volume: 2465.19
Cell parameters: 10.6627; 13.0584; 17.7049; 90; 90; 90;  

COD ID: 1515225
CIF file Formula: - C134 Cl6 D2 F28 -
Comments: Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H. Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated Chemical Science 3(5) (2012) 1399
Space group: P n m a
Cell volume: 3962
Cell parameters: 9.9798; 16.4442; 24.1424; 90; 90; 90;  

COD ID: 1515226
CIF file Formula: - C35 H33 Fe N2 O4.41 P -
Comments: Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science 3(5) (2012) 1486
Space group: P 21 21 21
Cell volume: 3037.9
Cell parameters: 8.45; 11.0814; 32.443; 90; 90; 90;  

COD ID: 1515227
CIF file Formula: - C34 H31 Fe N2 O4 P -
Comments: Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science 3(5) (2012) 1486
Space group: P 1 21 1
Cell volume: 1476.81
Cell parameters: 7.0453; 24.2072; 9.1599; 90; 109.031; 90;  

COD ID: 1515228
CIF file Formula: - C14 H12 Cl3 N5 Os -
Comments: Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science 3(5) (2012) 1582
Space group: C 1 2/c 1
Cell volume: 1689.2
Cell parameters: 14.4225; 13.237; 9.0745; 90; 102.821; 90;  

COD ID: 1515229
CIF file Formula: - C8 H12 Cl3 N5 Os -
Comments: Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science 3(5) (2012) 1582
Space group: C 1 2/c 1
Cell volume: 1355.9
Cell parameters: 10.314; 15.45; 8.562; 90; 96.39; 90;  

COD ID: 1515230
CIF file Formula: - C10 H16 Cl3 N5 Os -
Comments: Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science 3(5) (2012) 1582
Space group: C 1 2/c 1
Cell volume: 1535.31
Cell parameters: 10.466; 14.595; 10.063; 90; 92.79; 90;  

COD ID: 1515231
CIF file Formula: - C16 H16 Cl3 N5 Os -
Comments: Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science 3(5) (2012) 1582
Space group: P -1
Cell volume: 1135.25
Cell parameters: 10.4137; 11.0728; 11.4646; 87.628; 70.662; 66.25;  

COD ID: 1515232
CIF file Formula: - C23.5 H27 Cl F6 N2 Rh Sb -
Comments: Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science 3(5) (2012) 1634
Space group: P 1 21/c 1
Cell volume: 5256
Cell parameters: 24.2; 13.427; 16.2572; 90; 95.747; 90;  

COD ID: 1515233
CIF file Formula: - C35 H36 F6 N2 O2 Rh S Sb -
Comments: Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science 3(5) (2012) 1634
Space group: P 1 21/c 1
Cell volume: 3459
Cell parameters: 18.507; 10.873; 17.673; 90; 103.416; 90;  

COD ID: 1515234
CIF file Formula: - C86 H109 F30 N16 O10 P -
Comments: Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science 3(5) (2012) 1522
Space group: P 21 21 21
Cell volume: 10028
Cell parameters: 19.21; 20.782; 25.12; 90; 90; 90;  

COD ID: 1515235
CIF file Formula: - C43 H54 F15 N8 O4 -
Comments: Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science 3(5) (2012) 1522
Space group: P -1
Cell volume: 2491.5
Cell parameters: 13.939; 14.194; 14.511; 93.624; 118.198; 96.509;  

COD ID: 1515236
CIF file Formula: - C21 H19 B -
Comments: Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science 3(5) (2012) 1461
Space group: P 1 21/a 1
Cell volume: 3272.8
Cell parameters: 7.9976; 30.448; 13.5205; 90; 96.2528; 90;  

COD ID: 1515237
CIF file Formula: - C24 H22 B N -
Comments: Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science 3(5) (2012) 1461
Space group: P 4/n :2
Cell volume: 3619.4
Cell parameters: 22.546; 22.546; 7.1203; 90; 90; 90;  

COD ID: 1515238
CIF file Formula: - C23 H19 B O -
Comments: Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science 3(5) (2012) 1461
Space group: C 1 2/c 1
Cell volume: 3398.1
Cell parameters: 25.956; 8.077; 16.85; 90; 105.859; 90;  

COD ID: 1515239
CIF file Formula: - C23 H19 B S -
Comments: Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science 3(5) (2012) 1461
Space group: C 1 2/c 1
Cell volume: 3631
Cell parameters: 32.132; 7.89; 14.955; 90; 106.728; 90;  

COD ID: 1515240
CIF file Formula: - C11 H23 Cl N6 -
Comments: Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains Chemical Science 3(11) (2012) 3227
Space group: P -1
Cell volume: 735.28
Cell parameters: 4.4289; 9.6455; 17.6718; 101.395; 95.279; 92.673;  


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