Crystallography Open Database

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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 16

COD ID: 7214129
CIF file Formula: - C21 H29 F6 N2 P S -
Comments: Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system. Physical chemistry chemical physics : PCCP 16(3) (2014) 1208-1226
Space group: P 1 21 1
Cell volume: 1160.3
Cell parameters: 8.459; 15.354; 8.964; 90; 94.69; 90;  

COD ID: 7214130
CIF file Formula: - C19 H25 Br N2 S -
Comments: Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system. Physical chemistry chemical physics : PCCP 16(3) (2014) 1208-1226
Space group: P 21 21 21
Cell volume: 1965.98
Cell parameters: 12.0601; 12.5854; 12.9527; 90; 90; 90;  

COD ID: 7214131
CIF file Formula: - C40 H60 N2 O6 -
Comments: Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J. Structure-property relationship of anilino-squaraines in organic solar cells. Physical chemistry chemical physics : PCCP 16(3) (2014) 1067-1077
Space group: P -1
Cell volume: 890.7
Cell parameters: 5.097; 10.746; 16.604; 96.374; 94.825; 97.872;  

COD ID: 7214132
CIF file Formula: - C30 H40 N2 O6 -
Comments: Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J. Structure-property relationship of anilino-squaraines in organic solar cells. Physical chemistry chemical physics : PCCP 16(3) (2014) 1067-1077
Space group: P 1 21/c 1
Cell volume: 1357.69
Cell parameters: 5.6706; 16.8421; 14.3536; 90; 97.943; 90;  

COD ID: 7214133
CIF file Formula: - C13 H11 N3 O6 -
Comments: Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M. Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes. Physical chemistry chemical physics : PCCP 16(3) (2014) 1150-1160
Space group: C 1 2/c 1
Cell volume: 2584.8
Cell parameters: 29.713; 4.9822; 25.526; 90; 136.84; 90;  

COD ID: 7214134
CIF file Formula: - C13 H12 N2 O6 -
Comments: Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M. Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes. Physical chemistry chemical physics : PCCP 16(3) (2014) 1150-1160
Space group: P n a 21
Cell volume: 1259
Cell parameters: 12.8093; 13.1563; 7.4708; 90; 90; 90;  

COD ID: 7214135
CIF file Formula: - C47 H18 Co F15 N6 -
Comments: Lei, Haitao; Han, Ali; Li, Fengwang; Zhang, Meining; Han, Yongzhen; Du, Pingwu; Lai, Wenzhen; Cao, Rui Electrochemical, spectroscopic and theoretical studies of a simple bifunctional cobalt corrole catalyst for oxygen evolution and hydrogen production. Physical chemistry chemical physics : PCCP 16(5) (2014) 1883-1893
Space group: P -1
Cell volume: 4369
Cell parameters: 13.638; 16.772; 20.382; 71.783; 80.567; 87.282;  

COD ID: 7214136
CIF file Formula: - C22 H18 N4 O -
Comments: Bronner, Catherine; Wenger, Oliver S. Long-range proton-coupled electron transfer in phenol-Ru(2,2'-bipyrazine)3(2+) dyads. Physical chemistry chemical physics : PCCP 16(8) (2014) 3617-3622
Space group: P 1 21 1
Cell volume: 871.31
Cell parameters: 6.0346; 19.3933; 7.4728; 90; 94.931; 90;  

COD ID: 7214310
CIF file Formula: - C32 H52 Cl2 Co2 N10 O11 -
Comments: Wakerley, David W.; Reisner, Erwin Development and understanding of cobaloxime activity through electrochemical molecular catalyst screening. Physical chemistry chemical physics : PCCP 16(12) (2014) 5739-5746
Space group: P 1 21/n 1
Cell volume: 2085.72
Cell parameters: 8; 13.5322; 19.2803; 90; 92.183; 90;  

COD ID: 7214311
CIF file Formula: - C11 H16 Br3 N3 O2 -
Comments: Rosokha, Sergiy V.; Vinakos, Michael K. Halogen bond-assisted electron transfer reactions of aliphatic bromosubstituted electrophiles. Physical chemistry chemical physics : PCCP 16(5) (2014) 1809-1813
Space group: P 1 21/n 1
Cell volume: 1523.26
Cell parameters: 5.8059; 19.4214; 13.5907; 90; 96.284; 90;  

COD ID: 7214450
CIF file Formula: - C10 H20 Fe N8 O10 -
Comments: Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP 16(19) (2014) 9086-9095
Space group: P -1
Cell volume: 880.24
Cell parameters: 9.1747; 9.2567; 10.6372; 84.289; 84.409; 79.246;  

COD ID: 7214451
CIF file Formula: - C10 H20 Fe N8 O10 -
Comments: Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP 16(19) (2014) 9086-9095
Space group: P -1
Cell volume: 907.17
Cell parameters: 9.1722; 9.5972; 10.5527; 84.837; 83.709; 80.095;  

COD ID: 7214452
CIF file Formula: - C10 H20 Fe N8 O10 -
Comments: Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP 16(19) (2014) 9086-9095
Space group: P -1
Cell volume: 909.83
Cell parameters: 9.1837; 9.5706; 10.6018; 84.936; 83.959; 79.849;  

COD ID: 7214453
CIF file Formula: - C10 H20 Fe N8 O10 -
Comments: Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP 16(19) (2014) 9086-9095
Space group: P -1
Cell volume: 890.53
Cell parameters: 9.2092; 9.2785; 10.6971; 84.406; 84.601; 79.076;  

COD ID: 7214454
CIF file Formula: - C15 H12 O S -
Comments: Pietrzak, Mariusz; Dobkowski, Jacek; Gorski, Alexandr; Gawinkowski, Sylwester; Kijak, Michał; Luboradzki, Roman; Hansen, Poul Erik; Waluk, Jacek Arresting consecutive steps of a photochromic reaction: studies of β-thioxoketones combining laser photolysis with NMR detection. Physical chemistry chemical physics : PCCP 16(19) (2014) 9128-9137
Space group: P 1 21/c 1
Cell volume: 1176.59
Cell parameters: 12.4853; 7.2462; 13.1368; 90; 98.118; 90;  

COD ID: 7214455
CIF file Formula: - C16 H16 N4 -
Comments: Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT. Physical chemistry chemical physics : PCCP 16(19) (2014) 9064-9073
Space group: P -1
Cell volume: 1344.1
Cell parameters: 5.8977; 7.4177; 30.865; 91.949; 92.578; 94.343;  

COD ID: 7214456
CIF file Formula: - C16 H16 N4 -
Comments: Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT. Physical chemistry chemical physics : PCCP 16(19) (2014) 9064-9073
Space group: P 1 21/n 1
Cell volume: 1327.2
Cell parameters: 5.7857; 16.921; 13.706; 90; 98.453; 90;  

COD ID: 7215229
CIF file Formula: - C56 H47 B F2 N4 O -
Comments: Singh, Saumya; Venugopalan, Vijay; Krishnamoorthy, Kothandam Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility. Physical chemistry chemical physics : PCCP 16(26) (2014) 13376-13382
Space group: P -1
Cell volume: 2271.16
Cell parameters: 11.0667; 13.6645; 16.468; 73.484; 86.016; 72.07;  

COD ID: 7215274
CIF file Formula: - Fe2 La0.54 O6.64 Sr2.46 -
Comments: Kagomiya, 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 16(22) (2014) 10875-10882
Space group: I 4/m m m
Cell volume: 315.835
Cell parameters: 3.93012; 3.93012; 20.4479; 90; 90; 90;  

COD ID: 7215275
CIF file Formula: - Fe2 La0.54 O7 Sr2.46 -
Comments: Kagomiya, 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 16(22) (2014) 10875-10882
Space group: I 4/m m m
Cell volume: 303.879
Cell parameters: 3.87762; 3.87762; 20.2102; 90; 90; 90;  

COD ID: 7215276
CIF file Formula: - Fe2 La0.54 O6.74 Sr2.46 -
Comments: Kagomiya, 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 16(22) (2014) 10875-10882
Space group: I 4/m m m
Cell volume: 313.56
Cell parameters: 3.91937; 3.91937; 20.4121; 90; 90; 90;  

COD ID: 7215277
CIF file Formula: - Fe2 La0.54 O7 Sr2.46 -
Comments: Kagomiya, 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 16(22) (2014) 10875-10882
Space group: I 4/m m m
Cell volume: 308.411
Cell parameters: 3.89243; 3.89243; 20.3558; 90; 90; 90;  

COD ID: 7215278
CIF file Formula: - Fe2 La0.54 O6.94 Sr2.46 -
Comments: Kagomiya, 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 16(22) (2014) 10875-10882
Space group: I 4/m m m
Cell volume: 309.497
Cell parameters: 3.89879; 3.89879; 20.3609; 90; 90; 90;  

COD ID: 7215279
CIF file Formula: - Fe2 La0.54 O6.515 Sr2.46 -
Comments: Kagomiya, 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 16(22) (2014) 10875-10882
Space group: I 4/m m m
Cell volume: 318.372
Cell parameters: 3.94156; 3.94156; 20.4927; 90; 90; 90;  

COD ID: 7215280
CIF file Formula: - Fe2 La0.54 O6.82 Sr2.46 -
Comments: Kagomiya, 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 16(22) (2014) 10875-10882
Space group: I 4/m m m
Cell volume: 311.171
Cell parameters: 3.90758; 3.90758; 20.379; 90; 90; 90;  

COD ID: 7215467
CIF file Formula: - C17 H22 Cl N5 O5 -
Comments: Kirby, 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 16(22) (2014) 10943-10958
Space group: P -1
Cell volume: 967.59
Cell parameters: 7.6033; 11.4827; 11.8705; 83.186; 71.662; 80.423;  

COD ID: 7215468
CIF file Formula: - C19 H25 N5 O7 -
Comments: Kirby, 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 16(22) (2014) 10943-10958
Space group: P -1
Cell volume: 1027.5
Cell parameters: 7.797; 11.214; 12.211; 91.753; 104.56; 95.232;  

COD ID: 7215469
CIF file Formula: - C30 H32 F N9 O10 -
Comments: Kirby, 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 16(22) (2014) 10943-10958
Space group: P c c a
Cell volume: 3181.9
Cell parameters: 35.929; 7.0153; 12.624; 90; 90; 90;  

COD ID: 7215470
CIF file Formula: - C17 H22 Cl N5 O5 -
Comments: Kirby, 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 16(22) (2014) 10943-10958
Space group: P n a 21
Cell volume: 1945.9
Cell parameters: 6.8211; 14.4139; 19.7918; 90; 90; 90;  

COD ID: 7215471
CIF file Formula: - C19 H23 N7 O11 -
Comments: Kirby, 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 16(22) (2014) 10943-10958
Space group: P -1
Cell volume: 1152.7
Cell parameters: 9.602; 10.807; 12.433; 109.859; 96.598; 103.537;  

COD ID: 7215770
CIF file Formula: - C12 H11 F3 N6 -
Comments: Niedzicki, 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 16(23) (2014) 11417-11425
Space group: P -1
Cell volume: 703.24
Cell parameters: 8.63283; 8.86281; 10.25772; 87.4723; 78.8034; 66.0794;  

COD ID: 7215771
CIF file Formula: - C19 H13 F6 Li N10 -
Comments: Niedzicki, 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 16(23) (2014) 11417-11425
Space group: P -1
Cell volume: 1113.42
Cell parameters: 8.28368; 11.45842; 12.57923; 74.9663; 77.5238; 78.6965;  

COD ID: 7215772
CIF file Formula: - C20 H15 F6 Li N10 -
Comments: Niedzicki, 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 16(23) (2014) 11417-11425
Space group: P -1
Cell volume: 1148.67
Cell parameters: 8.4241; 11.66815; 12.85431; 73.0547; 74.4505; 76.756;  

COD ID: 7215773
CIF file Formula: - C49 H56 B F2 I N4 O -
Comments: Nano, 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 16(21) (2014) 10187-10198
Space group: P -1
Cell volume: 2196.38
Cell parameters: 12.0355; 12.7527; 14.7677; 102.838; 90.637; 96.021;  

COD ID: 7215774
CIF file Formula: - C55 H69 B I N2 O5 -
Comments: Nano, 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 16(21) (2014) 10187-10198
Space group: P -1
Cell volume: 2544.5
Cell parameters: 11.669; 15.533; 15.769; 103.638; 101.205; 107.161;  

COD ID: 7216130
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5035.9
Cell parameters: 18.429; 18.1729; 15.0366; 90; 90; 90;  

COD ID: 7216131
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5054.7
Cell parameters: 18.4633; 18.1906; 15.0501; 90; 90; 90;  

COD ID: 7216132
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5065
Cell parameters: 18.4939; 18.2041; 15.0446; 90; 90; 90;  

COD ID: 7216133
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5085.4
Cell parameters: 18.5461; 18.2325; 15.0393; 90; 90; 90;  

COD ID: 7216134
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5108.1
Cell parameters: 18.599; 18.265; 15.0367; 90; 90; 90;  

COD ID: 7216135
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5123.3
Cell parameters: 18.6446; 18.2957; 15.0193; 90; 90; 90;  

COD ID: 7216136
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5129.6
Cell parameters: 18.704; 18.303; 14.9839; 90; 90; 90;  

COD ID: 7216137
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5163.3
Cell parameters: 18.7596; 18.3558; 14.9944; 90; 90; 90;  

COD ID: 7216138
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5201.1
Cell parameters: 18.81; 18.4239; 15.008; 90; 90; 90;  

COD ID: 7216139
CIF file Formula: - C87 H36 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P n m a
Cell volume: 5214
Cell parameters: 18.833; 18.483; 14.978; 90; 90; 90;  

COD ID: 7216140
CIF file Formula: - C107 H50 Cl2 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P -1
Cell volume: 3217.9
Cell parameters: 12.6739; 14.0712; 19.438; 102.258; 97.661; 104.351;  

COD ID: 7216141
CIF file Formula: - C101 H52 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P 1 21/c 1
Cell volume: 6173.9
Cell parameters: 14.519; 19.3733; 22; 90; 93.887; 90;  

COD ID: 7216142
CIF file Formula: - C107 H50 Cl2 N2 -
Comments: Lorbach, 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 16(25) (2014) 12980-12986
Space group: P -1
Cell volume: 3217.9
Cell parameters: 12.6739; 14.0712; 19.438; 102.258; 97.661; 104.351;  

COD ID: 7216143
CIF file Formula: - C15 H18 La2 N6 O18 -
Comments: Rodrigues, 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 16(28) (2014) 14858-14866
Space group: C 1 c 1
Cell volume: 2564.15
Cell parameters: 15.8154; 8.8922; 18.4302; 90; 98.393; 90;  

COD ID: 7216144
CIF file Formula: - C13 H28 Br4 N4 -
Comments: Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP 16(25) (2014) 12968-12979
Space group: P 1 21/n 1
Cell volume: 2033.6
Cell parameters: 8.3581; 19.1124; 12.87; 90; 98.448; 90;  

COD ID: 7216145
CIF file Formula: - C14 H28 Br4 N2 O -
Comments: Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP 16(25) (2014) 12968-12979
Space group: P 1 21/n 1
Cell volume: 2031.6
Cell parameters: 8.3579; 19.0038; 12.9329; 90; 98.504; 90;  

COD ID: 7216146
CIF file Formula: - C27 H56 Br4 N4 S2 -
Comments: Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP 16(25) (2014) 12968-12979
Space group: P 1 21/n 1
Cell volume: 3638.5
Cell parameters: 7.8335; 36.215; 12.8318; 90; 91.767; 90;  

COD ID: 7216147
CIF file Formula: - C14 H28 Br3 N3 O3 -
Comments: Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP 16(25) (2014) 12968-12979
Space group: P 1 21/n 1
Cell volume: 2014.29
Cell parameters: 8.3003; 18.9573; 12.948; 90; 98.635; 90;  

COD ID: 7216148
CIF file Formula: - C28 H58 Br3 N5 O S2 -
Comments: Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP 16(25) (2014) 12968-12979
Space group: P 1 21/n 1
Cell volume: 3661.9
Cell parameters: 10.0945; 11.5019; 31.8838; 90; 98.4293; 90;  

COD ID: 7216252
CIF file Formula: - C8 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5444
Cell parameters: 13.467; 20.219; 19.994; 90; 90.088; 90;  

COD ID: 7216253
CIF file Formula: - C7.1 H0 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5292
Cell parameters: 13.33; 20.04; 19.81; 90; 89.97; 90;  

COD ID: 7216254
CIF file Formula: - C4.4 H0 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5496
Cell parameters: 13.549; 20.223; 20.059; 90; 90.103; 90;  

COD ID: 7216255
CIF file Formula: - C10 H0 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5390
Cell parameters: 13.435; 20.16; 19.9; 90; 90; 90;  

COD ID: 7216256
CIF file Formula: - C8 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5382
Cell parameters: 13.418; 20.131; 19.924; 90; 90.06; 90;  

COD ID: 7216257
CIF file Formula: - C12 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5529
Cell parameters: 13.534; 20.319; 20.104; 90; 90.045; 90;  

COD ID: 7216258
CIF file Formula: - C10 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5434
Cell parameters: 13.47; 20.19; 19.98; 90; 90.02; 90;  

COD ID: 7216259
CIF file Formula: - C7.6 H0 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5423
Cell parameters: 13.465; 20.177; 19.962; 90; 90.052; 90;  

COD ID: 7216260
CIF file Formula: - C4.4 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5419.5
Cell parameters: 13.455; 20.19; 19.95; 90; 90.16; 90;  

COD ID: 7216261
CIF file Formula: - C O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5358
Cell parameters: 13.375; 20.13; 19.9; 90; 90.1; 90;  

COD ID: 7216262
CIF file Formula: - C3 H0 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5426
Cell parameters: 13.465; 20.16; 19.99; 90; 89.983; 90;  

COD ID: 7216263
CIF file Formula: - C1.3 H0 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5265
Cell parameters: 13.29; 20.02; 19.79; 90; 90.04; 90;  

COD ID: 7216264
CIF file Formula: - C3.6 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5435
Cell parameters: 13.462; 20.198; 19.99; 90; 90.091; 90;  

COD ID: 7216265
CIF file Formula: - C4 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5509
Cell parameters: 13.517; 20.307; 20.071; 90; 89.998; 90;  

COD ID: 7216266
CIF file Formula: - C5 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5391
Cell parameters: 13.431; 20.148; 19.921; 90; 90.116; 90;  

COD ID: 7216267
CIF file Formula: - C4.5 H0 O48 Si24 -
Comments: Fujiyama, 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 16(30) (2014) 15839-15845
Space group: P 1 21/n 1
Cell volume: 5413
Cell parameters: 13.448; 20.156; 19.971; 90; 89.962; 90;  

COD ID: 7216694
CIF file Formula: - C26 H24 B F2 N3 O -
Comments: Pan, 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 16(30) (2014) 16290-16301
Space group: P -1
Cell volume: 1089.47
Cell parameters: 10.2704; 10.7807; 11.5645; 73.454; 84.803; 62.697;  

COD ID: 7216695
CIF file Formula: - C30 H26 B F2 N3 O -
Comments: Pan, 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 16(30) (2014) 16290-16301
Space group: P -1
Cell volume: 1229.41
Cell parameters: 9.2908; 10.8702; 13.9066; 102.09; 94.075; 114.538;  

COD ID: 7216763
CIF file Formula: - C33 H36 N2 O3 -
Comments: Cole, 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 16(48) (2014) 26684-26690
Space group: P 1 21/c 1
Cell volume: 2962.5
Cell parameters: 6.1664; 23.5787; 20.6871; 90; 99.961; 90;  

COD ID: 7216779
CIF file Formula: - C72 H128 Fe2 N4 O44 Ti17 -
Comments: Jarzembska, 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 16(30) (2014) 15792-15795
Space group: P 1 21/n 1
Cell volume: 10540.9
Cell parameters: 15.5703; 26.9767; 25.2494; 90; 96.332; 90;  

COD ID: 7217009
CIF file Formula: - C78 H138 Fe3 La N2 O18 -
Comments: Rigamonti, 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 16(32) (2014) 17220-17230
Space group: R -3 c :H
Cell volume: 13574.2
Cell parameters: 16.821; 16.821; 55.396; 90; 90; 120;  

COD ID: 7217125
CIF file Formula: - C11 H12 N2 O2 -
Comments: Majhi, 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 16(34) (2014) 18349
Space group: P 1 21/n 1
Cell volume: 1016.23
Cell parameters: 7.7124; 8.9272; 14.9003; 90; 97.869; 90;  

COD ID: 7217839
CIF file Formula: - C34 H27 N3 O2 -
Comments: Bessette, 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 16(40) (2014) 22207-22221
Space group: P 1 21/n 1
Cell volume: 2562.57
Cell parameters: 14.2562; 14.1356; 14.3787; 90; 117.825; 90;  

COD ID: 7217840
CIF file Formula: - C30 H21 N5 -
Comments: Bessette, 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 16(40) (2014) 22207-22221
Space group: P 1 21 1
Cell volume: 1124.11
Cell parameters: 5.6755; 11.9628; 16.5633; 90; 91.632; 90;  

COD ID: 7217841
CIF file Formula: - C33 H25 N3 O2 -
Comments: Bessette, 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 16(40) (2014) 22207-22221
Space group: P 1 c 1
Cell volume: 4879.36
Cell parameters: 20.1555; 9.6757; 25.46; 90; 100.668; 90;  

COD ID: 7217842
CIF file Formula: - C32 H24 N4 O -
Comments: Bessette, 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 16(40) (2014) 22207-22221
Space group: P 1 21/c 1
Cell volume: 2414.1
Cell parameters: 11.3385; 13.9762; 15.3735; 90; 97.732; 90;  

COD ID: 7217843
CIF file Formula: - C20 H14 F N O3 -
Comments: Mukherjee, 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 16(38) (2014) 20866-20877
Space group: P 1 21/c 1
Cell volume: 1608.6
Cell parameters: 8.972; 7.295; 24.757; 90; 96.902; 90;  

COD ID: 7217844
CIF file Formula: - C20 H14 Br N O3 -
Comments: Mukherjee, 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 16(38) (2014) 20866-20877
Space group: P 1 21/c 1
Cell volume: 1676
Cell parameters: 9.008; 7.848; 24.086; 90; 100.229; 90;  

COD ID: 7217845
CIF file Formula: - C20 H14 N2 O5 -
Comments: Mukherjee, 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 16(38) (2014) 20866-20877
Space group: P 1 21/c 1
Cell volume: 1643.7
Cell parameters: 13.916; 11.329; 10.53; 90; 98.067; 90;  

COD ID: 7217888
CIF file Formula: - C19 H94 N O33.7 -
Comments: Muromachi, 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 16(39) (2014) 21467-21472
Space group: P -4
Cell volume: 6684.2
Cell parameters: 23.361; 23.361; 12.248; 90; 90; 90;  

COD ID: 7217900
CIF file Formula: - C44 H36 F6 Ir N4 P -
Comments: Fan, 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 16(39) (2014) 21577-21585
Space group: P 1 21/c 1
Cell volume: 3798.7
Cell parameters: 14.1492; 14.633; 18.3617; 90; 92.289; 90;  

COD ID: 7218036
CIF file Formula: - C6 H2 Cl2 O2 -
Comments: Vijaya 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 16(37) (2014) 19928-19940
Space group: P 1 21/c 1
Cell volume: 320.25
Cell parameters: 6.0187; 5.3451; 9.9651; 90; 92.604; 90;  

COD ID: 7218072
CIF file Formula: - C16 H36 F6 P2 -
Comments: Matsumoto, 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 16(43) (2014) 23616-23626
Space group: P 1 21/c 1
Cell volume: 2121.89
Cell parameters: 9.7465; 14.0652; 15.5029; 90; 93.217; 90;  

COD ID: 7218073
CIF file Formula: - C16 H36 F6 P2 -
Comments: Matsumoto, 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 16(43) (2014) 23616-23626
Space group: P 1 21/c 1
Cell volume: 2196.7
Cell parameters: 9.8567; 14.1385; 15.777; 90; 92.422; 90;  

COD ID: 7218074
CIF file Formula: - C16 H36 F6 P2 -
Comments: Matsumoto, 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 16(43) (2014) 23616-23626
Space group: P m c n
Cell volume: 2250.9
Cell parameters: 9.9807; 13.8901; 16.2367; 90; 90; 90;  

COD ID: 7218075
CIF file Formula: - C12 F6 P2 -
Comments: Matsumoto, 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 16(43) (2014) 23616-23626
Space group: P m -3 n
Cell volume: 3472
Cell parameters: 15.142; 15.142; 15.142; 90; 90; 90;  

COD ID: 7218080
CIF file Formula: - C26 H18 B F N2 O -
Comments: Wesela-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 16(41) (2014) 22762-22774
Space group: P -1
Cell volume: 2010.9
Cell parameters: 11.18331; 12.02706; 15.06878; 91.5953; 91.9937; 96.6478;  

COD ID: 7218081
CIF file Formula: - C26 H18 B F N2 O -
Comments: Wesela-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 16(41) (2014) 22762-22774
Space group: P c a 21
Cell volume: 4056.1
Cell parameters: 12.3765; 14.9478; 21.9246; 90; 90; 90;  

COD ID: 7218206
CIF file Formula: - C18 H18 B F2 N3 -
Comments: Luo, 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 16(43) (2014) 23884-23894
Space group: P 1 21/c 1
Cell volume: 3184
Cell parameters: 24.7836; 6.7289; 20.9423; 90; 114.264; 90;  

COD ID: 7218207
CIF file Formula: - C18 H12 B F2 I2 N3 -
Comments: Luo, 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 16(43) (2014) 23884-23894
Space group: C m c m
Cell volume: 1968.3
Cell parameters: 16.771; 15.274; 7.6839; 90; 90; 90;  

COD ID: 7218208
CIF file Formula: - C18 H18 B F2 N3 -
Comments: Luo, 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 16(43) (2014) 23884-23894
Space group: P 1 21 1
Cell volume: 1638.55
Cell parameters: 7.1055; 12.1329; 19.1171; 90; 96.167; 90;  

COD ID: 7218209
CIF file Formula: - C26 H32 B Cl Co F2 N7 O4 -
Comments: Luo, 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 16(43) (2014) 23884-23894
Space group: P 1 21/c 1
Cell volume: 2992.6
Cell parameters: 14.3736; 14.8242; 14.1707; 90; 97.653; 90;  

COD ID: 7218210
CIF file Formula: - C26 H30 B Cl Co F2 I2 N7 O4 -
Comments: Luo, 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 16(43) (2014) 23884-23894
Space group: P 1 21/n 1
Cell volume: 3612.4
Cell parameters: 8.658; 13.6093; 30.699; 90; 92.969; 90;  

COD ID: 7218211
CIF file Formula: - C26 H32 B Cl Co F2 N7 O4 -
Comments: Luo, 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 16(43) (2014) 23884-23894
Space group: C 1 2/m 1
Cell volume: 3644.8
Cell parameters: 32.1886; 13.8873; 8.432; 90; 104.759; 90;  

COD ID: 7218298
CIF file Formula: - C26 H17 N3 O -
Comments: Planells, 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 16(42) (2014) 23404-23411
Space group: P 1 21/c 1
Cell volume: 1985.1
Cell parameters: 10.3685; 26.786; 7.3961; 90; 104.892; 90;  

COD ID: 7218299
CIF file Formula: - C29 H21 Cl2 N3 O -
Comments: Planells, 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 16(42) (2014) 23404-23411
Space group: P 1 21/c 1
Cell volume: 2306.7
Cell parameters: 22.424; 15.2492; 6.8252; 90; 98.75; 90;  

COD ID: 7218597
CIF file Formula: - C60 H40 B Cl3 F2 N5 O4 S2 -
Comments: Bandi, 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 16(46) (2014) 25537-25547
Space group: P -1
Cell volume: 2513.3
Cell parameters: 7.9981; 15.012; 22.533; 108.53; 99.724; 92.76;  

COD ID: 7218686
CIF file Formula: - C12 H40 Cl Er N8 O20 -
Comments: Janicki, 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 16(48) (2014) 26823-26831
Space group: P -1
Cell volume: 1509.2
Cell parameters: 11.1; 11.164; 13.061; 90.629; 91.51; 111.09;  


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