Crystallography Open Database
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Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 115
| COD ID: 1501669 | |
| CIF file | Formula: - C97 H69 Cl5 N4 O4 Sn - Comments: Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer. The journal of physical chemistry. A 115(6) (2011) 986-997 Space group: P 1 21/n 1 Cell volume: 15786 Cell parameters: 25.106; 16.854; 37.347; 90; 92.653; 90; |
| COD ID: 1501670 | |
| CIF file | Formula: - C100 H80 N4 O8 Sn - Comments: Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer. The journal of physical chemistry. A 115(6) (2011) 986-997 Space group: P -1 Cell volume: 1941.03 Cell parameters: 11.4345; 12.6971; 14.1793; 103.943; 101.911; 93.6347; |
| COD ID: 1501699 | |
| CIF file | Formula: - C36 H42 N O4 Sb - Comments: Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A. Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen. The journal of physical chemistry. A 115(29) (2011) 8271-8281 Space group: P 1 21/n 1 Cell volume: 3235.8 Cell parameters: 13.5746; 15.9506; 15.0855; 90; 97.841; 90; |
| COD ID: 1501700 | |
| CIF file | Formula: - C37 H45 N2 O3 Sb - Comments: Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A. Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen. The journal of physical chemistry. A 115(29) (2011) 8271-8281 Space group: P -1 Cell volume: 1597.88 Cell parameters: 10.0526; 11.8361; 14.5638; 88.56; 82.17; 68.61; |
| COD ID: 1501701 | |
| CIF file | Formula: - C46 H58 N8 O6 Si7 - Comments: Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A 115(45) (2011) 12474-12485 Space group: P 1 21/n 1 Cell volume: 2630.5 Cell parameters: 9.3149; 26.6012; 11.3777; 90; 111.083; 90; |
| COD ID: 1501702 | |
| CIF file | Formula: - C78 H74 N16 O7 Si8 - Comments: Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A 115(45) (2011) 12474-12485 Space group: P 1 21/n 1 Cell volume: 8018.4 Cell parameters: 13.1488; 22.8889; 27.0083; 90; 99.438; 90; |
| COD ID: 1501703 | |
| CIF file | Formula: - C110 H90 N24 O8 Si9 - Comments: Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A 115(45) (2011) 12474-12485 Space group: P -1 Cell volume: 2614 Cell parameters: 13.421; 14.371; 14.662; 85.17; 68.66; 83.53; |
| COD ID: 1501704 | |
| CIF file | Formula: - C149 H114 N32 O9 Si10 - Comments: Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E. Long, directional interactions in cofacial silicon phthalocyanine oligomers. The journal of physical chemistry. A 115(45) (2011) 12474-12485 Space group: P 1 21/n 1 Cell volume: 13131.1 Cell parameters: 13.6979; 26.0454; 36.932; 90; 94.737; 90; |
| COD ID: 1501705 | |
| CIF file | Formula: - C50 H42 N4 O4 - Comments: Mutoh, Katsuya; Abe, Jiro Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers. The journal of physical chemistry. A 115(18) (2011) 4650-4656 Space group: P 1 21/c 1 Cell volume: 3830.8 Cell parameters: 14.214; 20.356; 13.807; 90; 106.48; 90; |
| COD ID: 1501706 | |
| CIF file | Formula: - C52 H44 Cl6 N4 O4 - Comments: Mutoh, Katsuya; Abe, Jiro Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers. The journal of physical chemistry. A 115(18) (2011) 4650-4656 Space group: P -1 Cell volume: 2342.3 Cell parameters: 12.8243; 13.389; 15.859; 79.107; 75.49; 63.12; |
| COD ID: 1501708 | |
| CIF file | Formula: - C10 H13 N3 O2 S - Comments: Farrugia, Louis J.; Khalaji, Aliakbar Dehno Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone. The journal of physical chemistry. A 115(45) (2011) 12512-12522 Space group: P b c a Cell volume: 2293.06 Cell parameters: 11.0859; 13.0805; 15.8132; 90; 90; 90; |
| COD ID: 1501709 | |
| CIF file | Formula: - C16 H18 Cl2 N4 O11 - Comments: Hao, Erhong; Meng, Ting; Zhang, Min; Pang, Weidong; Zhou, Yunyou; Jiao, Lijuan Solvent dependent fluorescent properties of a 1,2,3-triazole linked 8-hydroxyquinoline chemosensor: tunable detection from zinc(II) to iron(III) in the CH3CN/H2O system. The journal of physical chemistry. A 115(29) (2011) 8234-8241 Space group: P 1 21/c 1 Cell volume: 2092.07 Cell parameters: 16.8233; 6.6778; 18.9912; 90; 101.312; 90; |
| COD ID: 1501719 | |
| CIF file | Formula: - C42 H23 B F24 N2 - Comments: Kong, S.; Borissova, A. O.; Lesnichin, S. B.; Hartl, M.; Daemen, L. L.; Eckert, J.; Antipin, M. Yu; Shenderovich, I. G. Geometry and spectral properties of the protonated homodimer of pyridine in the liquid and solid states. A combined NMR, X-ray diffraction and inelastic neutron scattering study. The journal of physical chemistry. A 115(27) (2011) 8041-8048 Space group: P 1 21/n 1 Cell volume: 4347.8 Cell parameters: 13.1238; 18.615; 18.123; 90; 100.884; 90; |
| COD ID: 1501720 | |
| CIF file | Formula: - C28 H23 N O2 - Comments: Chudomel, J. Matthew; Yang, Boqian; Barnes, Michael D.; Achermann, Marc; Mague, Joel T.; Lahti, Paul M. Highly twisted triarylamines for photoinduced intramolecular charge transfer. The journal of physical chemistry. A 115(30) (2011) 8361-8368 Space group: P 1 21/c 1 Cell volume: 4157.6 Cell parameters: 11.7245; 11.2382; 32.084; 90; 100.429; 90; |
| COD ID: 1501721 | |
| CIF file | Formula: - C5 H10 N2 S2 - Comments: Bushmarinov, I. S.; Fedyanin, I. V.; Lyssenko, K. A.; Lapteva, V. L.; Pisarev, S. A.; Palyulin, V. A.; Zefirov, N. S.; Antipin, M. Yu The "hockey sticks" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective. The journal of physical chemistry. A 115(45) (2011) 12738-12745 Space group: C 1 2/c 1 Cell volume: 691.48 Cell parameters: 10.3212; 8.8807; 7.5565; 90; 93.299; 90; |
| COD ID: 1501722 | |
| CIF file | Formula: - C9 H10 Cl N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P 1 21/c 1 Cell volume: 953.2 Cell parameters: 6.858; 7.636; 18.221; 90; 92.605; 90; |
| COD ID: 1501723 | |
| CIF file | Formula: - C9 H10 Cl N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P 1 21/c 1 Cell volume: 952 Cell parameters: 7.705; 7.146; 17.57; 90; 100.15; 90; |
| COD ID: 1501724 | |
| CIF file | Formula: - C9 H10 Cl N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P n m a Cell volume: 930.1 Cell parameters: 13.383; 6.769; 10.267; 90; 90; 90; |
| COD ID: 1501725 | |
| CIF file | Formula: - C13 H10 Cl N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P 21 21 21 Cell volume: 1156.37 Cell parameters: 6.0806; 12.2086; 15.577; 90; 90; 90; |
| COD ID: 1501726 | |
| CIF file | Formula: - C13 H10 Cl N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P 1 21/c 1 Cell volume: 1144.2 Cell parameters: 11.754; 5.765; 16.944; 90; 94.743; 90; |
| COD ID: 1501727 | |
| CIF file | Formula: - C13 H10 Cl N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P -1 Cell volume: 548.013 Cell parameters: 5.3862; 7.8721; 13.6512; 106.554; 98.414; 90.624; |
| COD ID: 1501728 | |
| CIF file | Formula: - C20 H32 Cl N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P 1 21/n 1 Cell volume: 2019.1 Cell parameters: 6.1089; 9.7134; 34.042; 90; 91.716; 90; |
| COD ID: 1501729 | |
| CIF file | Formula: - C9 H9 Cl2 N O - Comments: Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A 115(26) (2011) 7834-7848 Space group: P -1 Cell volume: 532 Cell parameters: 7.034; 7.673; 10.57; 83.42; 70.6; 82.082; |
| COD ID: 1501730 | |
| CIF file | Formula: - C5 H17 B5 N2 O10 - Comments: Hathwar, Venkatesha R.; Paul, Avijit Kumar; Natarajan, Srinivasan; Row, Tayur N Guru Charge density analysis of a pentaborate ion in an ammonium borate: toward the understanding of topological features in borate minerals. The journal of physical chemistry. A 115(45) (2011) 12818-12825 Space group: P 1 21/c 1 Cell volume: 1408.44 Cell parameters: 9.5031; 14.1216; 10.4957; 90; 90.586; 90; |
| COD ID: 1501731 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1577.6 Cell parameters: 9.3541; 7.8376; 21.571; 90; 93.994; 90; |
| COD ID: 1501732 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1623.77 Cell parameters: 9.4963; 8.0181; 21.3804; 90; 94.107; 90; |
| COD ID: 1501733 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1623.77 Cell parameters: 9.4963; 8.0181; 21.3804; 90; 94.107; 90; |
| COD ID: 1501734 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1653.24 Cell parameters: 9.5862; 8.1401; 21.2445; 90; 94.236; 90; |
| COD ID: 1501735 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1670.7 Cell parameters: 9.6404; 8.2037; 21.187; 90; 94.384; 90; |
| COD ID: 1501736 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1673.1 Cell parameters: 9.6444; 8.216; 21.172; 90; 94.206; 90; |
| COD ID: 1501737 | |
| CIF file | Formula: - C22 H12 O2 S - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 1679.3 Cell parameters: 9.656; 8.247; 21.156; 90; 94.6; 90; |
| COD ID: 1501738 | |
| CIF file | Formula: - C28 H16 O2 - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 920.2 Cell parameters: 10.1199; 8.2949; 11.6257; 90; 109.455; 90; |
| COD ID: 1501739 | |
| CIF file | Formula: - C28 H16 O2 - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 943.03 Cell parameters: 10.1822; 8.4359; 11.6494; 90; 109.537; 90; |
| COD ID: 1501740 | |
| CIF file | Formula: - C28 H16 O2 - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 962.67 Cell parameters: 10.2391; 8.5602; 11.6621; 90; 109.646; 90; |
| COD ID: 1501741 | |
| CIF file | Formula: - C28 H16 O2 - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 973.31 Cell parameters: 10.2759; 8.6249; 11.6667; 90; 109.729; 90; |
| COD ID: 1501742 | |
| CIF file | Formula: - C28 H16 O2 - Comments: Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes. The journal of physical chemistry. A 115(30) (2011) 8563-8570 Space group: P 1 21/n 1 Cell volume: 974.35 Cell parameters: 10.2832; 8.6313; 11.6644; 90; 109.758; 90; |
| COD ID: 1501744 | |
| CIF file | Formula: - C56 H38 N4 - Comments: Yamashita, Hiroaki; Abe, Jiro Photochromic properties of [2.2]paracyclophane-bridged imidazole dimer with increased photosensitivity by introducing pyrenyl moiety. The journal of physical chemistry. A 115(46) (2011) 13332-13337 Space group: P -1 Cell volume: 1950.5 Cell parameters: 12.15; 13.307; 14.206; 64.599; 71.92; 74.904; |
| COD ID: 1501745 | |
| CIF file | Formula: - C11 H8 N4 S - Comments: Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J. Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine. The journal of physical chemistry. A 115(42) (2011) 11775-11787 Space group: C 1 2/c 1 Cell volume: 2000.2 Cell parameters: 10.97; 8.986; 20.881; 90; 103.66; 90; |
| COD ID: 1501750 | |
| CIF file | Formula: - C13 H18 N2 - Comments: Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 115(40) (2011) 10823-10845 Space group: C 1 2/c 1 Cell volume: 4888.2 Cell parameters: 16.649; 14.441; 20.354; 90; 92.7; 90; |
| COD ID: 1501751 | |
| CIF file | Formula: - C11 H9 N3 - Comments: Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 115(40) (2011) 10823-10845 Space group: P -1 Cell volume: 462.9 Cell parameters: 7.947; 8.13; 8.153; 85.9; 76.26; 64.85; |
| COD ID: 1501752 | |
| CIF file | Formula: - C12 H13 N3 - Comments: Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 115(40) (2011) 10823-10845 Space group: P 1 21/c 1 Cell volume: 1103.31 Cell parameters: 7.462; 10.6319; 14.242; 90; 102.453; 90; |
| COD ID: 1501753 | |
| CIF file | Formula: - C12 H13 N3 - Comments: Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 115(40) (2011) 10823-10845 Space group: P 1 21/c 1 Cell volume: 1100.39 Cell parameters: 10.2495; 6.8618; 15.9772; 90; 101.686; 90; |
| COD ID: 1501754 | |
| CIF file | Formula: - C12 H13 N3 - Comments: Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 115(40) (2011) 10823-10845 Space group: P 1 21/n 1 Cell volume: 1097.25 Cell parameters: 8.9832; 12.6212; 9.6863; 90; 92.414; 90; |
| COD ID: 1501755 | |
| CIF file | Formula: - C10 H9 N3 - Comments: Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 115(40) (2011) 10823-10845 Space group: P -1 Cell volume: 457.56 Cell parameters: 8.0083; 8.1614; 8.1965; 85.25; 62.613; 74.373; |
| COD ID: 1501756 | |
| CIF file | Formula: - Cl4 Cs2 O2 U - Comments: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density. The journal of physical chemistry. A 115(45) (2011) 13016-13023 Space group: C 1 2/m 1 Cell volume: 511.01 Cell parameters: 11.7882; 7.6411; 5.7686; 90; 100.438; 90; |
| COD ID: 1501759 | |
| CIF file | Formula: - C10 H16 N6 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P b c a Cell volume: 2571.3 Cell parameters: 16.138; 7.0036; 22.75; 90; 90; 90; |
| COD ID: 1501760 | |
| CIF file | Formula: - C18 H14 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/c 1 Cell volume: 1659.38 Cell parameters: 10.9187; 10.9859; 14.7065; 90; 109.838; 90; |
| COD ID: 1501761 | |
| CIF file | Formula: - C18 H14 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/n 1 Cell volume: 1715.82 Cell parameters: 9.2057; 9.0165; 21.1691; 90; 102.445; 90; |
| COD ID: 1501762 | |
| CIF file | Formula: - C18 H14 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P -1 Cell volume: 1668.26 Cell parameters: 7.865; 9.6359; 23.304; 89.901; 88.777; 70.877; |
| COD ID: 1501763 | |
| CIF file | Formula: - C20 H18 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P -1 Cell volume: 891.7 Cell parameters: 9.6792; 10.0246; 10.2564; 108.14; 97.415; 104.581; |
| COD ID: 1501764 | |
| CIF file | Formula: - C20 H30 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P n m a Cell volume: 2098.8 Cell parameters: 11.6274; 6.7904; 26.582; 90; 90; 90; |
| COD ID: 1501765 | |
| CIF file | Formula: - C12 H18 N4 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/c 1 Cell volume: 1401.5 Cell parameters: 8.3647; 21.533; 7.79; 90; 92.707; 90; |
| COD ID: 1501766 | |
| CIF file | Formula: - C14 H24 N6 O4 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/c 1 Cell volume: 1761.48 Cell parameters: 12.7313; 15.6701; 9.4477; 90; 110.843; 90; |
| COD ID: 1501767 | |
| CIF file | Formula: - C10 H12 Cl2 N4 O6 - Comments: Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A 115(35) (2011) 10087-10096 Space group: P 1 21/n 1 Cell volume: 1477.89 Cell parameters: 10.3054; 4.4342; 32.6413; 90; 97.77; 90; |
| COD ID: 1501771 | |
| CIF file | Formula: - C463.98 H239.98 N32 O313.66 Zn52 - Comments: Larsen, Randy W.; Miksovska, Jaroslava; Musselman, Ronald L.; Wojtas, Lukasz Ground- and excited-state properties of Zn(II) tetrakis(4-tetramethylpyridyl) pophyrin specifically encapsulated within a Zn(II) HKUST metal-organic framework. The journal of physical chemistry. A 115(42) (2011) 11519-11524 Space group: F m -3 m Cell volume: 18496.3 Cell parameters: 26.4461; 26.4461; 26.4461; 90; 90; 90; |
| COD ID: 1501774 | |
| CIF file | Formula: - C29 H25 F4 N8 S2 - Comments: von Eschwege, Karel G.; Conradie, Jeanet; Kuhn, Annemarie Dithizone and Its oxidation products: a DFT, spectroscopic, and X-ray structural study. The journal of physical chemistry. A 115(51) (2011) 14637-14646 Space group: P -1 Cell volume: 1447.96 Cell parameters: 7.6537; 12.4352; 16.3279; 73.674; 85.27; 76.176; |
| COD ID: 1516189 | |
| CIF file | Formula: - C7 H5 F O2 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P 1 21/n 1 Cell volume: 644.6 Cell parameters: 3.816; 6.3759; 26.571; 90; 94.353; 90; |
| COD ID: 1516190 | |
| CIF file | Formula: - C13 H11 F N2 O3 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: C 1 2/c 1 Cell volume: 2348.8 Cell parameters: 22.913; 5.2046; 20.0132; 90; 100.212; 90; |
| COD ID: 1516191 | |
| CIF file | Formula: - C7 H5 F O2 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P 1 21/n 1 Cell volume: 634.8 Cell parameters: 3.7812; 6.3418; 26.539; 90; 94.11; 90; |
| COD ID: 1516192 | |
| CIF file | Formula: - C13 H10 F N2 O3 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P -1 Cell volume: 596.12 Cell parameters: 7.0275; 7.4474; 12.6005; 74.371; 87.185; 70.004; |
| COD ID: 1516193 | |
| CIF file | Formula: - C7 H5 F O2 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P 1 21/n 1 Cell volume: 614.5 Cell parameters: 6.5525; 3.7524; 25.021; 90; 92.82; 90; |
| COD ID: 1516194 | |
| CIF file | Formula: - C7 H5 F O2 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P 1 21/c 1 Cell volume: 617.78 Cell parameters: 3.7041; 6.2642; 26.6604; 90; 92.96; 90; |
| COD ID: 1516195 | |
| CIF file | Formula: - C7 H5 F O2 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P 1 21/c 1 Cell volume: 625.4 Cell parameters: 3.7411; 6.305; 26.564; 90; 93.54; 90; |
| COD ID: 1516196 | |
| CIF file | Formula: - C7 H5 F O2 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P 1 21/c 1 Cell volume: 632.7 Cell parameters: 3.7637; 6.3314; 26.607; 90; 93.76; 90; |
| COD ID: 1516197 | |
| CIF file | Formula: - C7 H5 F O2 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: P 1 21/n 1 Cell volume: 608.6 Cell parameters: 6.7465; 3.7192; 24.285; 90; 92.91; 90; |
| COD ID: 1516198 | |
| CIF file | Formula: - C13 H11 F N2 O3 - Comments: Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A 115(45) (2011) 12852-12863 Space group: C 1 2/c 1 Cell volume: 2397.7 Cell parameters: 22.046; 5.2078; 20.995; 90; 95.888; 90; |
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