Crystallography Open Database

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7216145 CIFC14 H28 Br4 N2 OP 1 21/n 18.3579; 19.0038; 12.9329
90; 98.504; 90
2031.6Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory
Halogen bonding of electrophilic bromocarbons with pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979
7216146 CIFC27 H56 Br4 N4 S2P 1 21/n 17.8335; 36.215; 12.8318
90; 91.767; 90
3638.5Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory
Halogen bonding of electrophilic bromocarbons with pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979
7216147 CIFC14 H28 Br3 N3 O3P 1 21/n 18.3003; 18.9573; 12.948
90; 98.635; 90
2014.29Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory
Halogen bonding of electrophilic bromocarbons with pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979
7216148 CIFC28 H58 Br3 N5 O S2P 1 21/n 110.0945; 11.5019; 31.8838
90; 98.4293; 90
3661.9Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory
Halogen bonding of electrophilic bromocarbons with pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979
7216252 CIFC8 O48 Si24P 1 21/n 113.467; 20.219; 19.994
90; 90.088; 90
5444Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216253 CIFC7.1 H0 O48 Si24P 1 21/n 113.33; 20.04; 19.81
90; 89.97; 90
5292Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216254 CIFC4.4 H0 O48 Si24P 1 21/n 113.549; 20.223; 20.059
90; 90.103; 90
5496Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216255 CIFC10 H0 O48 Si24P 1 21/n 113.435; 20.16; 19.9
90; 90; 90
5390Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216256 CIFC8 O48 Si24P 1 21/n 113.418; 20.131; 19.924
90; 90.06; 90
5382Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216257 CIFC12 O48 Si24P 1 21/n 113.534; 20.319; 20.104
90; 90.045; 90
5529Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216258 CIFC10 O48 Si24P 1 21/n 113.47; 20.19; 19.98
90; 90.02; 90
5434Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216259 CIFC7.6 H0 O48 Si24P 1 21/n 113.465; 20.177; 19.962
90; 90.052; 90
5423Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216260 CIFC4.4 O48 Si24P 1 21/n 113.455; 20.19; 19.95
90; 90.16; 90
5419.5Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216261 CIFC O48 Si24P 1 21/n 113.375; 20.13; 19.9
90; 90.1; 90
5358Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216262 CIFC3 H0 O48 Si24P 1 21/n 113.465; 20.16; 19.99
90; 89.983; 90
5426Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216263 CIFC1.3 H0 O48 Si24P 1 21/n 113.29; 20.02; 19.79
90; 90.04; 90
5265Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216264 CIFC3.6 O48 Si24P 1 21/n 113.462; 20.198; 19.99
90; 90.091; 90
5435Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216265 CIFC4 O48 Si24P 1 21/n 113.517; 20.307; 20.071
90; 89.998; 90
5509Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216266 CIFC5 O48 Si24P 1 21/n 113.431; 20.148; 19.921
90; 90.116; 90
5391Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216267 CIFC4.5 H0 O48 Si24P 1 21/n 113.448; 20.156; 19.971
90; 89.962; 90
5413Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845
7216694 CIFC26 H24 B F2 N3 OP -110.2704; 10.7807; 11.5645
73.454; 84.803; 62.697
1089.47Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng
Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.
Physical chemistry chemical physics : PCCP, 2014, 16, 16290-16301
7216695 CIFC30 H26 B F2 N3 OP -19.2908; 10.8702; 13.9066
102.09; 94.075; 114.538
1229.41Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng
Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.
Physical chemistry chemical physics : PCCP, 2014, 16, 16290-16301
7216763 CIFC33 H36 N2 O3P 1 21/c 16.1664; 23.5787; 20.6871
90; 99.961; 90
2962.5Cole, Jacqueline M.; Low, Kian Sing; Ozoe, Hiroaki; Stathi, Panagiota; Kitamura, Chitoshi; Kurata, Hiroyuki; Rudolf, Petra; Kawase, Takeshi
Data mining with molecular design rules identifies new class of dyes for dye-sensitised solar cells.
Physical chemistry chemical physics : PCCP, 2014, 16, 26684-26690
7216779 CIFC72 H128 Fe2 N4 O44 Ti17P 1 21/n 115.5703; 26.9767; 25.2494
90; 96.332; 90
10540.9Jarzembska, Katarzyna N.; Chen, Yang; Nasca, Justin N.; Trzop, Elżbieta; Watson, David F.; Coppens, Philip
Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles.
Physical chemistry chemical physics : PCCP, 2014, 16, 15792-15795
7217009 CIFC78 H138 Fe3 La N2 O18R -3 c :H16.821; 16.821; 55.396
90; 90; 120
13574.2Rigamonti, Luca; Cornia, Andrea; Nava, Andrea; Perfetti, Mauro; Boulon, Marie-Emmanuelle; Barra, Anne-Laure; Zhong, Xiaoliang; Park, Kyungwha; Sessoli, Roberta
Mapping of single-site magnetic anisotropy tensors in weakly coupled spin clusters by torque magnetometry.
Physical chemistry chemical physics : PCCP, 2014, 16, 17220-17230
7217125 CIFC11 H12 N2 O2P 1 21/n 17.7124; 8.9272; 14.9003
90; 97.869; 90
1016.23Majhi, Debashis; Das, Sudhir Kumar; Sahu, Prabhat Kumar; Pratik, Saied Md; Kumar, Arun; Sarkar, Moloy
Probing the aggregation behavior of 4-aminophthalimide and 4-(N,N-dimethyl) amino-N-methylphthalimide: a combined photophysical, crystallographic, microscopic and theoretical (DFT) study.
Physical chemistry chemical physics : PCCP, 2014, 16, 18349
7217839 CIFC34 H27 N3 O2P 1 21/n 114.2562; 14.1356; 14.3787
90; 117.825; 90
2562.57Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.
Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.
Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221
7217840 CIFC30 H21 N5P 1 21 15.6755; 11.9628; 16.5633
90; 91.632; 90
1124.11Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.
Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.
Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221
7217841 CIFC33 H25 N3 O2P 1 c 120.1555; 9.6757; 25.46
90; 100.668; 90
4879.36Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.
Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.
Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221
7217842 CIFC32 H24 N4 OP 1 21/c 111.3385; 13.9762; 15.3735
90; 97.732; 90
2414.1Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.
Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.
Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221
7217843 CIFC20 H14 F N O3P 1 21/c 18.972; 7.295; 24.757
90; 96.902; 90
1608.6Mukherjee, Sanjoy; Thilagar, Pakkirisamy
Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.
Physical chemistry chemical physics : PCCP, 2014, 16, 20866-20877
7217844 CIFC20 H14 Br N O3P 1 21/c 19.008; 7.848; 24.086
90; 100.229; 90
1676Mukherjee, Sanjoy; Thilagar, Pakkirisamy
Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.
Physical chemistry chemical physics : PCCP, 2014, 16, 20866-20877
7217845 CIFC20 H14 N2 O5P 1 21/c 113.916; 11.329; 10.53
90; 98.067; 90
1643.7Mukherjee, Sanjoy; Thilagar, Pakkirisamy
Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.
Physical chemistry chemical physics : PCCP, 2014, 16, 20866-20877
7217888 CIFC19 H94 N O33.7P -423.361; 23.361; 12.248
90; 90; 90
6684.2Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi
Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion.
Physical chemistry chemical physics : PCCP, 2014, 16, 21467-21472
7217900 CIFC44 H36 F6 Ir N4 PP 1 21/c 114.1492; 14.633; 18.3617
90; 92.289; 90
3798.7Fan, Shengqiang; Zong, Xu; Shaw, Paul E.; Wang, Xin; Geng, Yan; Smith, Arthur R. G.; Burn, Paul L.; Wang, Lianzhou; Lo, Shih-Chun
Energetic requirements of iridium(iii) complex based photosensitisers in photocatalytic hydrogen generation.
Physical chemistry chemical physics : PCCP, 2014, 16, 21577-21585
7218036 CIFC6 H2 Cl2 O2P 1 21/c 16.0187; 5.3451; 9.9651
90; 92.604; 90
320.25Vijaya Pandiyan, B.; Deepa, P.; Kolandaivel, P.
On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers - ground- and excited-state properties.
Physical chemistry chemical physics : PCCP, 2014, 16, 19928-19940
7218072 CIFC16 H36 F6 P2P 1 21/c 19.7465; 14.0652; 15.5029
90; 93.217; 90
2121.89Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko
The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).
Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626
7218073 CIFC16 H36 F6 P2P 1 21/c 19.8567; 14.1385; 15.777
90; 92.422; 90
2196.7Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko
The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).
Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626
7218074 CIFC16 H36 F6 P2P m c n9.9807; 13.8901; 16.2367
90; 90; 90
2250.9Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko
The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).
Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626
7218075 CIFC12 F6 P2P m -3 n15.142; 15.142; 15.142
90; 90; 90
3472Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko
The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).
Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626
7218080 CIFC26 H18 B F N2 OP -111.18331; 12.02706; 15.06878
91.5953; 91.9937; 96.6478
2010.9Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.
Physical chemistry chemical physics : PCCP, 2014, 16, 22762-22774
7218081 CIFC26 H18 B F N2 OP c a 2112.3765; 14.9478; 21.9246
90; 90; 90
4056.1Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.
Physical chemistry chemical physics : PCCP, 2014, 16, 22762-22774
7218206 CIFC18 H18 B F2 N3P 1 21/c 124.7836; 6.7289; 20.9423
90; 114.264; 90
3184Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894
7218207 CIFC18 H12 B F2 I2 N3C m c m16.771; 15.274; 7.6839
90; 90; 90
1968.3Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894
7218208 CIFC18 H18 B F2 N3P 1 21 17.1055; 12.1329; 19.1171
90; 96.167; 90
1638.55Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894
7218209 CIFC26 H32 B Cl Co F2 N7 O4P 1 21/c 114.3736; 14.8242; 14.1707
90; 97.653; 90
2992.6Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894
7218210 CIFC26 H30 B Cl Co F2 I2 N7 O4P 1 21/n 18.658; 13.6093; 30.699
90; 92.969; 90
3612.4Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894
7218211 CIFC26 H32 B Cl Co F2 N7 O4C 1 2/m 132.1886; 13.8873; 8.432
90; 104.759; 90
3644.8Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894
7218298 CIFC26 H17 N3 OP 1 21/c 110.3685; 26.786; 7.3961
90; 104.892; 90
1985.1Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil
Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives.
Physical chemistry chemical physics : PCCP, 2014, 16, 23404-23411
7218299 CIFC29 H21 Cl2 N3 OP 1 21/c 122.424; 15.2492; 6.8252
90; 98.75; 90
2306.7Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil
Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives.
Physical chemistry chemical physics : PCCP, 2014, 16, 23404-23411

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