Crystallography Open Database

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7215274 CIFFe2 La0.54 O6.64 Sr2.46I 4/m m m3.93012; 3.93012; 20.4479
90; 90; 90
315.835Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier
Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).
Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882
7215275 CIFFe2 La0.54 O7 Sr2.46I 4/m m m3.87762; 3.87762; 20.2102
90; 90; 90
303.879Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier
Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).
Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882
7215276 CIFFe2 La0.54 O6.74 Sr2.46I 4/m m m3.91937; 3.91937; 20.4121
90; 90; 90
313.56Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier
Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).
Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882
7215277 CIFFe2 La0.54 O7 Sr2.46I 4/m m m3.89243; 3.89243; 20.3558
90; 90; 90
308.411Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier
Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).
Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882
7215278 CIFFe2 La0.54 O6.94 Sr2.46I 4/m m m3.89879; 3.89879; 20.3609
90; 90; 90
309.497Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier
Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).
Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882
7215279 CIFFe2 La0.54 O6.515 Sr2.46I 4/m m m3.94156; 3.94156; 20.4927
90; 90; 90
318.372Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier
Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).
Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882
7215280 CIFFe2 La0.54 O6.82 Sr2.46I 4/m m m3.90758; 3.90758; 20.379
90; 90; 90
311.171Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier
Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).
Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882
7215448 CIFAl0.196 La3 Li6.06 O12 Zr2I a -3 d12.9727; 12.9727; 12.9727
90; 90; 90
2183.19Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen
Structure and dynamics of the fast lithium ion conductor "Li7La3Zr2O12".
Physical chemistry chemical physics : PCCP, 2011, 13, 19378-19392
7215467 CIFC17 H22 Cl N5 O5P -17.6033; 11.4827; 11.8705
83.186; 71.662; 80.423
967.59Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.
Systematic experimental charge density analysis of anion receptor complexes.
Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958
7215468 CIFC19 H25 N5 O7P -17.797; 11.214; 12.211
91.753; 104.56; 95.232
1027.5Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.
Systematic experimental charge density analysis of anion receptor complexes.
Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958
7215469 CIFC30 H32 F N9 O10P c c a35.929; 7.0153; 12.624
90; 90; 90
3181.9Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.
Systematic experimental charge density analysis of anion receptor complexes.
Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958
7215470 CIFC17 H22 Cl N5 O5P n a 216.8211; 14.4139; 19.7918
90; 90; 90
1945.9Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.
Systematic experimental charge density analysis of anion receptor complexes.
Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958
7215471 CIFC19 H23 N7 O11P -19.602; 10.807; 12.433
109.859; 96.598; 103.537
1152.7Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.
Systematic experimental charge density analysis of anion receptor complexes.
Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958
7215684 CIFCa9.921 O26 P6 Sr0.079P 63/m9.434668; 9.434669; 6.8893
90; 90; 120
531.08Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta
The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.
Physical chemistry chemical physics : PCCP, 2009, 11, 568-577
7215685 CIFCa9.569 O26 P6 Sr0.431P 63/m9.452039; 9.452039; 6.904128
90; 90; 120
534.18Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta
The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.
Physical chemistry chemical physics : PCCP, 2009, 11, 568-577
7215686 CIFCa8.542 O26 P6 Sr1.458P 63/m9.48686; 9.48686; 6.941954
90; 90; 120
541.07Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta
The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.
Physical chemistry chemical physics : PCCP, 2009, 11, 568-577
7215687 CIFCa9.045 O26 P6 Sr0.955P 63/m9.470575; 9.470575; 6.92324
90; 90; 120
537.77Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta
The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.
Physical chemistry chemical physics : PCCP, 2009, 11, 568-577
7215770 CIFC12 H11 F3 N6P -18.63283; 8.86281; 10.25772
87.4723; 78.8034; 66.0794
703.24Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław
Lithium cation conducting TDI anion-based ionic liquids.
Physical chemistry chemical physics : PCCP, 2014, 16, 11417-11425
7215771 CIFC19 H13 F6 Li N10P -18.28368; 11.45842; 12.57923
74.9663; 77.5238; 78.6965
1113.42Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław
Lithium cation conducting TDI anion-based ionic liquids.
Physical chemistry chemical physics : PCCP, 2014, 16, 11417-11425
7215772 CIFC20 H15 F6 Li N10P -18.4241; 11.66815; 12.85431
73.0547; 74.4505; 76.756
1148.67Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław
Lithium cation conducting TDI anion-based ionic liquids.
Physical chemistry chemical physics : PCCP, 2014, 16, 11417-11425
7215773 CIFC49 H56 B F2 I N4 OP -112.0355; 12.7527; 14.7677
102.838; 90.637; 96.021
2196.38Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond
A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations.
Physical chemistry chemical physics : PCCP, 2014, 16, 10187-10198
7215774 CIFC55 H69 B I N2 O5P -111.669; 15.533; 15.769
103.638; 101.205; 107.161
2544.5Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond
A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations.
Physical chemistry chemical physics : PCCP, 2014, 16, 10187-10198
7216130 CIFC87 H36 N2P n m a18.429; 18.1729; 15.0366
90; 90; 90
5035.9Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216131 CIFC87 H36 N2P n m a18.4633; 18.1906; 15.0501
90; 90; 90
5054.7Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216132 CIFC87 H36 N2P n m a18.4939; 18.2041; 15.0446
90; 90; 90
5065Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216133 CIFC87 H36 N2P n m a18.5461; 18.2325; 15.0393
90; 90; 90
5085.4Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216134 CIFC87 H36 N2P n m a18.599; 18.265; 15.0367
90; 90; 90
5108.1Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216135 CIFC87 H36 N2P n m a18.6446; 18.2957; 15.0193
90; 90; 90
5123.3Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216136 CIFC87 H36 N2P n m a18.704; 18.303; 14.9839
90; 90; 90
5129.6Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216137 CIFC87 H36 N2P n m a18.7596; 18.3558; 14.9944
90; 90; 90
5163.3Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216138 CIFC87 H36 N2P n m a18.81; 18.4239; 15.008
90; 90; 90
5201.1Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216139 CIFC87 H36 N2P n m a18.833; 18.483; 14.978
90; 90; 90
5214Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216140 CIFC107 H50 Cl2 N2P -112.6739; 14.0712; 19.438
102.258; 97.661; 104.351
3217.9Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216141 CIFC101 H52 N2P 1 21/c 114.519; 19.3733; 22
90; 93.887; 90
6173.9Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216142 CIFC107 H50 Cl2 N2P -112.6739; 14.0712; 19.438
102.258; 97.661; 104.351
3217.9Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986
7216143 CIFC15 H18 La2 N6 O18C 1 c 115.8154; 8.8922; 18.4302
90; 98.393; 90
2564.15Rodrigues, Carime V.; Luz, Leonis L.; Dutra, José Diogo L; Junior, Severino A.; Malta, Oscar L.; Gatto, Claudia C.; Streit, Huayna C.; Freire, Ricardo O.; Wickleder, Claudia; Rodrigues, Marcelo Oliveira
Unusual photoluminescence properties of the 3D mixed-lanthanide-organic frameworks induced by dimeric structures: a theoretical and experimental approach.
Physical chemistry chemical physics : PCCP, 2014, 16, 14858-14866
7216144 CIFC13 H28 Br4 N4P 1 21/n 18.3581; 19.1124; 12.87
90; 98.448; 90
2033.6Rosokha, 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
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
7218597 CIFC60 H40 B Cl3 F2 N5 O4 S2P -17.9981; 15.012; 22.533
108.53; 99.724; 92.76
2513.3Bandi, Venugopal; Gobeze, Habtom B.; Nesterov, Vladimir N.; Karr, Paul A.; D'Souza, Francis
Phenothiazine-azaBODIPY-fullerene supramolecules: syntheses, structural characterization, and photochemical studies.
Physical chemistry chemical physics : PCCP, 2014, 16, 25537-25547
7218677 CIFF4 Mg SrC m c 213.937; 14.488; 5.638
90; 90; 90
321.6Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.
Structures and optical properties of two phases of SrMgF4.
Physical chemistry chemical physics : PCCP, 2015, 17, 500-508
7218678 CIFF4 Mg SrP 1 21 17.4736; 16.8835; 7.801
90; 105.03; 90
950.66Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.
Structures and optical properties of two phases of SrMgF4.
Physical chemistry chemical physics : PCCP, 2015, 17, 500-508
7218686 CIFC12 H40 Cl Er N8 O20P -111.1; 11.164; 13.061
90.629; 91.51; 111.09
1509.2Janicki, Rafał; Mondry, Anna
A new approach to determination of hydration equilibria constants for the case of [Er(EDTA)(H2O)n](-) complexes.
Physical chemistry chemical physics : PCCP, 2014, 16, 26823-26831
7218748 CIFC26 H30 N2 O2P 1 21/a 18.8404; 8.9886; 13.346
90; 94.802; 90
1056.79Ravat, Prince; Baumgarten, Martin
"Tschitschibabin type biradicals": benzenoid or quinoid?
Physical chemistry chemical physics : PCCP, 2015, 17, 983-991
7218749 CIFC40 H42 N2 O6C 1 2/c 118.1306; 11.2298; 17.6135
90; 113.427; 90
3290.6Ravat, Prince; Baumgarten, Martin
"Tschitschibabin type biradicals": benzenoid or quinoid?
Physical chemistry chemical physics : PCCP, 2015, 17, 983-991
7218750 CIFC10 H13 N OP 1 21/a 18.6143; 9.1073; 11.3382
90; 101.959; 90
870.21Ravat, Prince; Baumgarten, Martin
"Tschitschibabin type biradicals": benzenoid or quinoid?
Physical chemistry chemical physics : PCCP, 2015, 17, 983-991
7218871 CIFC45 H32 N2P -18.479; 12.9948; 16.2781
68.455; 84.347; 73.048
1595.69Li, Jie; Jiang, Yibin; Cheng, Juan; Zhang, Yilin; Su, Huimin; Lam, Jacky W. Y.; Sung, Herman H. Y.; Wong, Kam Sing; Kwok, Hoi Sing; Tang, Ben Zhong
Tuning the singlet-triplet energy gap of AIE luminogens: crystallization-induced room temperature phosphorescence and delay fluorescence, tunable temperature response, highly efficient non-doped organic light-emitting diodes.
Physical chemistry chemical physics : PCCP, 2015, 17, 1134-1141
7218975 CIFC7 H8 Cl N3 O4C 1 c 14.8198; 21.7824; 9.3616
90; 104.264; 90
952.54Sarkar, Sounak; Pavan, Mysore S.; Guru Row, T. N.
Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis.
Physical chemistry chemical physics : PCCP, 2015, 17, 2330-2334
7218994 CIFC11 H26 Cl2 N4 Ni O3P 1 21/n 16.66207; 17.0552; 15.01109
90; 102.416; 90
1665.71Neri, Gaia; Walsh, James J.; Wilson, Calum; Reynal, Anna; Lim, Jason Y. C.; Li, Xiaoe; White, Andrew J. P.; Long, Nicholas J.; Durrant, James R.; Cowan, Alexander J.
A functionalised nickel cyclam catalyst for CO2 reduction: electrocatalysis, semiconductor surface immobilisation and light-driven electron transfer.
Physical chemistry chemical physics : PCCP, 2015, 17, 1562-1566
7219026 CIFC13 H26 F3 K O9 SP b c a16.209; 15.443; 16.537
90; 90; 90
4139.5Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.
Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849
7219027 CIFC13 H24 F3 K O9 SP 1 21/n 18.6188; 16.5613; 14.2025
90; 95.439; 90
2018.1Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.
Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849
7219028 CIFC12 H24 F6 K O6 PP n n 27.84; 10.813; 11.426
90; 90; 90
968.6Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.
Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849

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