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

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