Crystallography Open Database

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Searching journal of publication like 'The Journal of Physical Chemistry C' volume of publication is 117

COD ID: 1508823
CIF file Formula: - C48 H53 N O7 Pt -
Comments: Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand The Journal of Physical Chemistry C 117(1) (2013) 532
Space group: P 1 21/c 1
Cell volume: 4183.4
Cell parameters: 18.3993; 8.58214; 27.5862; 90; 106.182; 90;  

COD ID: 1508824
CIF file Formula: - C28 H29 N O3 Pt -
Comments: Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand The Journal of Physical Chemistry C 117(1) (2013) 532
Space group: P 1 21/c 1
Cell volume: 5030.4
Cell parameters: 8.8407; 17.8439; 31.9076; 90; 92.0189; 90;  

COD ID: 1508919
CIF file Formula: - C49 H37 N2 O5 -
Comments: Cheriya, Rijo T.; Nagarajan, Kalaivanan; Hariharan, Mahesh Single-Component Organic Light-Harvesting Red Luminescent Crystal The Journal of Physical Chemistry C 117(7) (2013) 3240
Space group: P -1
Cell volume: 1962.16
Cell parameters: 10.4825; 12.3742; 16.3558; 83.7391; 86.7693; 68.5231;  

COD ID: 1508920
CIF file Formula: - C28 H24 N2 O4 -
Comments: Wei, Ruirui; Song, Panshu; Tong, Aijun Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence The Journal of Physical Chemistry C 117(7) (2013) 3467
Space group: P 1 21/c 1
Cell volume: 2376.3
Cell parameters: 11.125; 21.323; 10.4804; 90; 107.093; 90;  

COD ID: 1508921
CIF file Formula: - C28 H24 N2 O4 -
Comments: Wei, Ruirui; Song, Panshu; Tong, Aijun Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence The Journal of Physical Chemistry C 117(7) (2013) 3467
Space group: C 1 2/c 1
Cell volume: 4687.1
Cell parameters: 19.228; 12.902; 21.509; 90; 118.55; 90;  

COD ID: 1511784
CIF file Formula: - C8 H8 B F2 Li N2 O4 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P 1 21/m 1
Cell volume: 550.98
Cell parameters: 6.1948; 15.6492; 6.2164; 90; 113.897; 90;  

COD ID: 1511785
CIF file Formula: - C4 H3 B F2 Li N O4 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P n m a
Cell volume: 737.65
Cell parameters: 8.0325; 6.1722; 14.8786; 90; 90; 90;  

COD ID: 1511786
CIF file Formula: - C8 H9 B F2 Li N3 O4 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P n m a
Cell volume: 1265.47
Cell parameters: 8.0286; 6.3995; 24.6301; 90; 90; 90;  

COD ID: 1511787
CIF file Formula: - C84 H144 B6 F12 Li6 N8 O48 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P 1 21/c 1
Cell volume: 6153
Cell parameters: 21.957; 12.906; 25.723; 90; 122.419; 90;  

COD ID: 1511788
CIF file Formula: - C13 H18 B2 F4 Li2 O17 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P 1 21/n 1
Cell volume: 1119.71
Cell parameters: 8.1606; 10.7284; 12.8309; 90; 94.6107; 90;  

COD ID: 1511789
CIF file Formula: - C22 H42 B2 F4 Li2 O14 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P 1
Cell volume: 820.1
Cell parameters: 8.554; 8.841; 12.929; 93.573; 108.72; 114.576;  

COD ID: 1511790
CIF file Formula: - C10 H20 B F2 Li O8 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: C 1 2/c 1
Cell volume: 3245
Cell parameters: 25.731; 8.467; 16.921; 90; 118.327; 90;  

COD ID: 1511791
CIF file Formula: - C6 H6 B F2 Li O7 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P 1 21/m 1
Cell volume: 486.35
Cell parameters: 6.443; 6.2831; 12.1294; 90; 97.91; 90;  

COD ID: 1511792
CIF file Formula: - C11 H23 B F2 Li N3 O4 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P 1 21/c 1
Cell volume: 1650.9
Cell parameters: 13.626; 8.717; 18.413; 90; 130.986; 90;  

COD ID: 1511793
CIF file Formula: - C6 H4 B F2 Li N2 O4 -
Comments: Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C 117(11) (2013) 5521
Space group: P n m a
Cell volume: 929.7
Cell parameters: 8.58; 7.781; 13.926; 90; 90; 90;  

COD ID: 1511794
CIF file Formula: - C38 H45 B F2 N2 -
Comments: Vu, Thanh Truc; Dvorko, Marina; Schmidt, Elena Y.; Audibert, Jean-Frédéric; Retailleau, Pascal; Trofimov, Boris A.; Pansu, Robert B.; Clavier, Gilles; Méallet-Renault, Rachel Understanding the Spectroscopic Properties and Aggregation Process of a New Emitting Boron Dipyrromethene (BODIPY) The Journal of Physical Chemistry C 117(10) (2013) 5373
Space group: P 1 21/c 1
Cell volume: 3087.9
Cell parameters: 14.0557; 11.4779; 19.3737; 90; 98.905; 90;  

COD ID: 1511795
CIF file Formula: - C14 H8 O2 S3 -
Comments: Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C 117(12) (2013) 6022
Space group: P c a 21
Cell volume: 1258.31
Cell parameters: 27.724; 3.8968; 11.6473; 90; 90; 90;  

COD ID: 1511796
CIF file Formula: - C10 H6 O2 S2 -
Comments: Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C 117(12) (2013) 6022
Space group: P 1 21/c 1
Cell volume: 471.28
Cell parameters: 7.2737; 4.7577; 13.719; 90; 96.938; 90;  

COD ID: 1511797
CIF file Formula: - C16 H8 O4 S3 -
Comments: Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C 117(12) (2013) 6022
Space group: P 1 21/c 1
Cell volume: 1444.75
Cell parameters: 17.4433; 7.3062; 11.3446; 90; 92.185; 90;  

COD ID: 1511798
CIF file Formula: - C62 H72 N6 S8 Si -
Comments: Zhugayevych, Andriy; Postupna, Olena; Bakus II, Ronald C.; Welch, Gregory C.; Bazan, Guillermo C.; Tretiak, Sergei Ab Initio Study of a Molecular Crystal for Photovoltaics: Light Absorption, Exciton and Charge Carrier Transport The Journal of Physical Chemistry C 117(10) (2013) 4920
Space group: C 1 2/c 1
Cell volume: 6025.8
Cell parameters: 39.3141; 15.2065; 10.3691; 90; 103.575; 90;  

COD ID: 1511799
CIF file Formula: - C3.665 D45.54 O30.33 -
Comments: Falenty, A.; Salamatin, A. N.; Kuhs, W. F. Kinetics of CO2-Hydrate Formation from Ice Powders: Data Summary and Modeling Extended to Low Temperatures The Journal of Physical Chemistry C 117(16) (2013) 8443
Space group: P m -3 n
Cell volume: 1671.56
Cell parameters: 11.8679; 11.8679; 11.8679; 90; 90; 90;  

COD ID: 1511800
CIF file Formula: - C12 H7 O P S3 -
Comments: Ren, Yi; Biegger, Felix; Baumgartner, Thomas Molecular Engineering of the Physical Properties of Highly Luminescent π-Conjugated Phospholes The Journal of Physical Chemistry C 117(9) (2013) 4748
Space group: P 1 21/c 1
Cell volume: 1230.42
Cell parameters: 10.076; 8.291; 14.934; 90; 99.516; 90;  

COD ID: 1511801
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 290.7
Cell parameters: 3.8208; 11.912; 6.388; 90; 91.11; 90;  

COD ID: 1511802
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 286.9
Cell parameters: 3.8036; 11.858; 6.3628; 90; 91.083; 90;  

COD ID: 1511803
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 284
Cell parameters: 3.7895; 11.825; 6.34; 90; 91.096; 90;  

COD ID: 1511804
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 279.4
Cell parameters: 3.7633; 11.778; 6.305; 90; 90.85; 90;  

COD ID: 1511805
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 278.3
Cell parameters: 3.762; 11.781; 6.281; 90; 90.84; 90;  

COD ID: 1511806
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 269.9
Cell parameters: 3.722; 11.676; 6.212; 90; 90.86; 90;  

COD ID: 1511807
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 264.4
Cell parameters: 3.689; 11.651; 6.151; 90; 90.48; 90;  

COD ID: 1511808
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 186.9
Cell parameters: 5.416; 4.893; 7.294; 90; 104.78; 90;  

COD ID: 1511809
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 186
Cell parameters: 5.408; 4.887; 7.275; 90; 104.65; 90;  

COD ID: 1511810
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 178.7
Cell parameters: 5.344; 4.833; 7.15; 90; 104.63; 90;  

COD ID: 1511811
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 171.6
Cell parameters: 5.267; 4.759; 7.05; 90; 103.85; 90;  

COD ID: 1511812
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 166.2
Cell parameters: 5.236; 4.735; 6.912; 90; 104.11; 90;  

COD ID: 1511813
CIF file Formula: - C52 H50 O2 -
Comments: Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C 117(14) (2013) 7236
Space group: P -1
Cell volume: 4189.2
Cell parameters: 12.28; 15.6586; 23.5675; 76.397; 78.217; 74.138;  

COD ID: 1511814
CIF file Formula: - C60 H64 O2 -
Comments: Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C 117(14) (2013) 7236
Space group: P 1 21/c 1
Cell volume: 4798.4
Cell parameters: 12.4695; 25.1015; 16.1011; 90; 107.8; 90;  

COD ID: 1511815
CIF file Formula: - C5 H6 N2 O S -
Comments: Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C 117(15) (2013) 7764
Space group: P 1 21/c 1
Cell volume: 597.97
Cell parameters: 4.3315; 14.4396; 9.5617; 90; 90.8638; 90;  

COD ID: 1511816
CIF file Formula: - C5 H6 N2 O S -
Comments: Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C 117(15) (2013) 7764
Space group: P 1 21/c 1
Cell volume: 594.69
Cell parameters: 4.3135; 14.432; 9.5548; 90; 91.17; 90;  

COD ID: 1511817
CIF file Formula: - C28 H34 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P -1
Cell volume: 552.1
Cell parameters: 6.663; 6.883; 12.477; 94.702; 94.348; 103.397;  

COD ID: 1511818
CIF file Formula: - C38 H42 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P 1 21/c 1
Cell volume: 1434.9
Cell parameters: 8.7787; 15.673; 10.689; 90; 102.668; 90;  

COD ID: 1511819
CIF file Formula: - C33 H34 O2 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P 1 21/n 1
Cell volume: 5046
Cell parameters: 9.862; 49.707; 10.319; 90; 93.959; 90;  

COD ID: 1511820
CIF file Formula: - C50 H70 Na2 O14 S2 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P -1
Cell volume: 5042
Cell parameters: 12.824; 16.877; 25.494; 103.863; 91.782; 108.619;  

COD ID: 1511821
CIF file Formula: - C50 H58 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P -1
Cell volume: 945.9
Cell parameters: 7.617; 10.296; 13.249; 72.923; 75.218; 76.43;  

COD ID: 1511822
CIF file Formula: - C52 H54 O2 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P 1 21/c 1
Cell volume: 4019.7
Cell parameters: 15.938; 11.092; 23.495; 90; 104.583; 90;  

COD ID: 1511830
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1549.7
Cell parameters: 9.676; 16.2; 9.8866; 90; 90; 90;  

COD ID: 1511831
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1519.3
Cell parameters: 9.66; 16.126; 9.753; 90; 90; 90;  

COD ID: 1511832
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1507.1
Cell parameters: 9.676; 16.179; 9.627; 90; 90; 90;  

COD ID: 1511833
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1471.2
Cell parameters: 9.634; 16.132; 9.466; 90; 90; 90;  

COD ID: 1511834
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1456.2
Cell parameters: 9.637; 16.135; 9.365; 90; 90; 90;  

COD ID: 1511835
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1382.9
Cell parameters: 5.825; 28.908; 8.224; 90; 93.03; 90;  

COD ID: 1511836
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1374.4
Cell parameters: 5.8185; 28.941; 8.173; 90; 93.01; 90;  

COD ID: 1511837
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1344.4
Cell parameters: 5.806; 28.807; 8.05; 90; 93.12; 90;  

COD ID: 1511838
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1311.2
Cell parameters: 5.786; 28.65; 7.924; 90; 93.44; 90;  

COD ID: 1511979
CIF file Formula: - C19 H18 N2 O -
Comments: Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C 117(18) (2013) 9416
Space group: P n a 21
Cell volume: 1601.7
Cell parameters: 15.399; 10.82; 9.613; 90; 90; 90;  

COD ID: 1511980
CIF file Formula: - C19 H18 N2 O -
Comments: Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C 117(18) (2013) 9416
Space group: P n a 21
Cell volume: 1593.2
Cell parameters: 15.393; 10.798; 9.5855; 90; 90; 90;  

COD ID: 1511981
CIF file Formula: - C19 H18 N2 O -
Comments: Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C 117(18) (2013) 9416
Space group: P n a 21
Cell volume: 1583.1
Cell parameters: 15.3711; 10.7478; 9.5826; 90; 90; 90;  

COD ID: 1511983
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 745.6
Cell parameters: 7.054; 12.84; 8.232; 90; 90; 90;  

COD ID: 1511984
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 734.9
Cell parameters: 6.971; 12.783; 8.247; 90; 90; 90;  

COD ID: 1511985
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 715.5
Cell parameters: 6.8805; 12.6682; 8.209; 90; 90; 90;  

COD ID: 1511986
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 696.5
Cell parameters: 6.749; 12.599; 8.191; 90; 90; 90;  

COD ID: 1511987
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 680.3
Cell parameters: 6.6851; 12.492; 8.146; 90; 90; 90;  

COD ID: 1511988
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 663.2
Cell parameters: 6.612; 12.385; 8.099; 90; 90; 90;  

COD ID: 1511989
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 635.9
Cell parameters: 6.45; 12.224; 8.0651; 90; 90; 90;  

COD ID: 1511990
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 619.7
Cell parameters: 6.392; 12.04; 8.052; 90; 90; 90;  

COD ID: 1511991
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 610.6
Cell parameters: 6.3573; 12.03; 7.984; 90; 90; 90;  

COD ID: 1511992
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 563.9
Cell parameters: 6.147; 11.648; 7.876; 90; 90; 90;  

COD ID: 1511993
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 547.7
Cell parameters: 6.0669; 11.554; 7.814; 90; 90; 90;  

COD ID: 1511994
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 703.34
Cell parameters: 6.8012; 12.5689; 8.2278; 90; 90; 90;  

COD ID: 1511995
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 704.13
Cell parameters: 6.8045; 12.5768; 8.2278; 90; 90; 90;  

COD ID: 1511996
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 705.88
Cell parameters: 6.8163; 12.5868; 8.2275; 90; 90; 90;  

COD ID: 1511997
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 707.3
Cell parameters: 6.8245; 12.5972; 8.2273; 90; 90; 90;  

COD ID: 1511998
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 708.76
Cell parameters: 6.8306; 12.6103; 8.2284; 90; 90; 90;  

COD ID: 1511999
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 710.87
Cell parameters: 6.8442; 12.6228; 8.2283; 90; 90; 90;  

COD ID: 1512000
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 712.51
Cell parameters: 6.8508; 12.6373; 8.2299; 90; 90; 90;  

COD ID: 1512001
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 714.11
Cell parameters: 6.8614; 12.65; 8.2274; 90; 90; 90;  

COD ID: 1512002
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 717.09
Cell parameters: 6.8794; 12.6652; 8.2302; 90; 90; 90;  

COD ID: 1512003
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 719.4
Cell parameters: 6.8902; 12.6822; 8.2327; 90; 90; 90;  

COD ID: 1512004
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 721.51
Cell parameters: 6.903; 12.6968; 8.2321; 90; 90; 90;  

COD ID: 1512005
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 723.44
Cell parameters: 6.9155; 12.7076; 8.2322; 90; 90; 90;  

COD ID: 1512006
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 725.3
Cell parameters: 6.9234; 12.7234; 8.2337; 90; 90; 90;  

COD ID: 1512007
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 727.49
Cell parameters: 6.9397; 12.7371; 8.2303; 90; 90; 90;  

COD ID: 1512008
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 730.23
Cell parameters: 6.9533; 12.7634; 8.2281; 90; 90; 90;  

COD ID: 1512009
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 732.63
Cell parameters: 6.9692; 12.7818; 8.2245; 90; 90; 90;  

COD ID: 1512010
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 734.43
Cell parameters: 6.9782; 12.798; 8.2237; 90; 90; 90;  

COD ID: 1512011
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 737.02
Cell parameters: 6.9934; 12.8124; 8.2255; 90; 90; 90;  

COD ID: 1512012
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 740.11
Cell parameters: 7.01; 12.831; 8.2285; 90; 90; 90;  

COD ID: 1512013
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 741.31
Cell parameters: 7.0252; 12.8396; 8.2185; 90; 90; 90;  

COD ID: 1512014
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 744.36
Cell parameters: 7.0396; 12.8637; 8.22; 90; 90; 90;  

COD ID: 1512015
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 752.6
Cell parameters: 7.0814; 12.8818; 8.2503; 90; 90; 90;  

COD ID: 1512130
CIF file Formula: - C16 H15 N O4 -
Comments: Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C 117(27) (2013) 14130
Space group: P b c a
Cell volume: 2504.2
Cell parameters: 7.707; 13.875; 23.418; 90; 90; 90;  

COD ID: 1512131
CIF file Formula: - C22 H27 N O4 -
Comments: Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C 117(27) (2013) 14130
Space group: C 1 2/c 1
Cell volume: 3813
Cell parameters: 25.115; 11.99; 15.721; 90; 126.342; 90;  

COD ID: 1512132
CIF file Formula: - C12 H13 N O2 -
Comments: Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C 117(27) (2013) 14130
Space group: P 1 21/c 1
Cell volume: 1015
Cell parameters: 13.786; 5.596; 15.675; 90; 122.93; 90;  

COD ID: 1512133
CIF file Formula: - C17 H18 F3 N O2 -
Comments: Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C 117(27) (2013) 14130
Space group: P 1 21/m 1
Cell volume: 1534.4
Cell parameters: 12.365; 7.358; 16.939; 90; 95.378; 90;  

COD ID: 1512134
CIF file Formula: - Br6.06 Cl8.31 H92 O46 -
Comments: Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C 117(27) (2013) 14176
Space group: P m -3 n
Cell volume: 1711.59
Cell parameters: 11.9619; 11.9619; 11.9619; 90; 90; 90;  

COD ID: 1512135
CIF file Formula: - C12 H4 N2 S2 -
Comments: Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C 117(33) (2013) 16759
Space group: P 21 21 21
Cell volume: 1021.8
Cell parameters: 3.8226; 8.471; 31.554; 90; 90; 90;  

COD ID: 1512136
CIF file Formula: - C12 H4 N2 S2 -
Comments: Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C 117(33) (2013) 16759
Space group: P 21 21 21
Cell volume: 979.03
Cell parameters: 3.8268; 14.7465; 17.3489; 90; 90; 90;  

COD ID: 1512137
CIF file Formula: - C15 H20 O S2 Si2 -
Comments: Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C 117(33) (2013) 16759
Space group: P b c a
Cell volume: 3711.9
Cell parameters: 6.9752; 21.458; 24.8; 90; 90; 90;  

COD ID: 1512140
CIF file Formula: - C40 H34 Cl4 N8 O10 -
Comments: Wang, Liang; Chen, Yanli; Bian, Yongzhong; Jiang, Jianzhuang Porphyrin Nanocrystal Synthesized via Chemical Reaction Route: pH-Sensitive Reversible Transformation between Nanocrystals and Bulk Single Crystal The Journal of Physical Chemistry C 117(33) (2013) 17352
Space group: P -1
Cell volume: 1085.63
Cell parameters: 5.6982; 13.6181; 14.318; 79.003; 88.852; 84.498;  

COD ID: 1512147
CIF file Formula: - Br38.27 H344 O172 -
Comments: Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C 117(27) (2013) 14176
Space group: P 42/m n m
Cell volume: 6411.7
Cell parameters: 23.0436; 23.0436; 12.0745; 90; 90; 90;  

COD ID: 1512149
CIF file Formula: - Cl13.3 H92 O46 -
Comments: Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C 117(27) (2013) 14176
Space group: P m -3 n
Cell volume: 1715.5
Cell parameters: 11.971; 11.971; 11.971; 90; 90; 90;  

COD ID: 1512251
CIF file Formula: - C18 H10 N2 O4 -
Comments: Ganin, Eduard V.; Masunov, Artëm E.; Siminel, Anatolii V.; Fonari, Marina S. Preparation, Characterization, and Electronic Structure of Asymmetric Isonaphthalimide: Mechanism of Dual Fluorescence in Solid State The Journal of Physical Chemistry C 117(35) (2013) 18154
Space group: C 1 2/c 1
Cell volume: 2798.2
Cell parameters: 29.36; 3.8228; 24.968; 90; 93.109; 90;  

COD ID: 1512252
CIF file Formula: - C4 H12 Al Li -
Comments: Pourpoint, Frédérique; Morin, Yohann; Gauvin, Régis M.; Trébosc, Julien; Capet, Frédéric; Lafon, Olivier; Amoureux, Jean-Paul Advances in Structural Studies on Alkylaluminum Species in the Solid State via Challenging27Al‒13C NMR Spectroscopy and X-ray Diffraction The Journal of Physical Chemistry C 117(35) (2013) 18091
Space group: P 1 21/n 1
Cell volume: 702.1
Cell parameters: 6.2978; 11.6066; 9.6537; 90; 95.748; 90;  

COD ID: 1512558
CIF file Formula: - Eu0.08 Na3.92 O24 Sc4 Si8 -
Comments: Xia, Zhiguo; Zhang, Yuanyuan; Molokeev, Maxim S.; Atuchin, Victor V. Structural and Luminescence Properties of Yellow-Emitting NaScSi2O6:Eu2+Phosphors: Eu2+Site Preference Analysis and Generation of Red Emission by Codoping Mn2+for White-Light-Emitting Diode Applications The Journal of Physical Chemistry C 117(40) (2013) 20847
Space group: C 1 2/c 1
Cell volume: 456.01
Cell parameters: 9.83355; 9.07414; 5.34456; 90; 107.021; 90;  

COD ID: 1513083
CIF file Formula: - C23 H18 F6 S8 -
Comments: Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C 117(45) (2013) 23529
Space group: P -1
Cell volume: 1371.4
Cell parameters: 8.7188; 11.3511; 14.6792; 78.45; 74.701; 89.477;  

COD ID: 1513084
CIF file Formula: - C24 H17 F6 N S5 -
Comments: Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C 117(45) (2013) 23529
Space group: P 1 21/c 1
Cell volume: 2466.93
Cell parameters: 12.4181; 10.4442; 19.0213; 90; 90.457; 90;  

COD ID: 1513085
CIF file Formula: - C34 H40 N4 -
Comments: Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene The Journal of Physical Chemistry C 117(47) (2013) 24997
Space group: C 1 2/c 1
Cell volume: 3021
Cell parameters: 21.767; 5.973; 23.372; 90; 96.26; 90;  

COD ID: 1513086
CIF file Formula: - C34 H40 N4 -
Comments: Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene The Journal of Physical Chemistry C 117(47) (2013) 24997
Space group: P 1 21/c 1
Cell volume: 2930.5
Cell parameters: 11.81; 11.257; 23.291; 90; 108.84; 90;  

COD ID: 1513087
CIF file Formula: - Fe2 O4 Zn -
Comments: Teh, Pei Fen; Pramana, Stevin S.; Kim, Chunjoong; Chen, Chieh-Ming; Chuang, Cheng-Hao; Sharma, Yogesh; Cabana, Jordi; Madhavi, Srinivasan Electrochemical Reactivity with Lithium of Spinel-type ZnFe2‒yCryO4(0 ≤y≤ 2) The Journal of Physical Chemistry C 117(46) (2013) 24213
Space group: F d -3 m :1
Cell volume: 599.35
Cell parameters: 8.4313; 8.4313; 8.4313; 90; 90; 90;  

COD ID: 1513088
CIF file Formula: - C10 H4 N4 S4 -
Comments: Tao, Tao; Geng, Jiao; Hong, Liu; Huang, Wei; Tanaka, Hirofumi; Tanaka, Daisuke; Ogawa, Takuji Temperature-Dependent Current‒Voltage and Photoresponsive Properties for Semiconducting Nanodevices Fabricated from an Oligothiazole Dithiol and Gold Nanoparticles The Journal of Physical Chemistry C 117(48) (2013) 25325
Space group: P 1 21/c 1
Cell volume: 574.6
Cell parameters: 5.8139; 5.8101; 17.366; 90; 101.604; 90;  

COD ID: 1513089
CIF file Formula: - C17 H33 Er O10 -
Comments: Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C 117(45) (2013) 23970
Space group: P 1 21/n 1
Cell volume: 2234.4
Cell parameters: 10.4187; 19.6076; 10.9402; 90; 91.235; 90;  

COD ID: 1513090
CIF file Formula: - C72 Er F60 N3 O6 P6 -
Comments: Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C 117(45) (2013) 23970
Space group: P 1 2/n 1
Cell volume: 4009.2
Cell parameters: 12.3554; 13.8738; 23.392; 90; 90.974; 90;  

COD ID: 1513091
CIF file Formula: - C72 H60 Er N3 O6 P6 -
Comments: Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C 117(45) (2013) 23970
Space group: P -1
Cell volume: 3238.21
Cell parameters: 14.329; 14.8267; 17.7919; 89.86; 76.118; 62.792;  

COD ID: 1556093
CIF file Formula: - C9 H13 N O3 -
Comments: Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M. Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes The Journal of Physical Chemistry C 117(23) (2013) 12136
Space group: P 1 21 1
Cell volume: 966.16
Cell parameters: 13.0075; 5.43017; 13.93996; 90; 101.113; 90;  

COD ID: 1556094
CIF file Formula: - C18 H22 N2 O5 -
Comments: Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M. Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes The Journal of Physical Chemistry C 117(23) (2013) 12136
Space group: P 1 21 1
Cell volume: 890.29
Cell parameters: 12.1112; 5.4213; 13.7691; 90; 100.011; 90;  

COD ID: 1556095
CIF file Formula: - C9 H11 N O2 -
Comments: Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M. Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes The Journal of Physical Chemistry C 117(23) (2013) 12136
Space group: P 1 21 1
Cell volume: 880.3
Cell parameters: 12.063; 5.412; 13.676; 90; 99.5976; 90;  


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