Crystallography Open Database

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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 22

COD ID: 7235237

Formula: - C12 H8 B2 D24 Mg O3 -
Comments: Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J. Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization. Physical chemistry chemical physics : PCCP 22(1) (2019) 368-378
Space group: C 1 2/c 1
Cell volume: 1732.5
Cell parameters: 11.9604; 12.4903; 19.9494; 90; 144.456; 90;

COD ID: 7235238

Formula: - C12 H8 B2 D24 Mg O3 -
Comments: Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J. Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization. Physical chemistry chemical physics : PCCP 22(1) (2019) 368-378
Space group: C 1 2/c 1
Cell volume: 1772.2
Cell parameters: 12.1152; 12.6233; 20.199; 90; 144.992; 90;

COD ID: 7239625

Formula: - C26 H12 F2 N2 O4 -
Comments: Komissarova, Ekaterina A.; Dominskiy, Dmitry I.; Zhulanov, Vladimir E.; Abashev, George G.; Siddiqui, Afzal; Singh, Surya P.; Sosorev, Andrey Yu; Paraschuk, Dmitry Yu Unraveling the unusual effect of fluorination on crystal packing in an organic semiconductor. Physical chemistry chemical physics : PCCP 22(3) (2020) 1665-1673
Space group: P 1 21/c 1
Cell volume: 978.9
Cell parameters: 16.538; 8.3933; 7.205; 90; 101.82; 90;

COD ID: 7239786

Formula: - C24 H18 N4 Pt -
Comments: Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M. On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes. Physical chemistry chemical physics : PCCP 22(6) (2020) 3217-3233
Space group: P 1 21/c 1
Cell volume: 3774.1
Cell parameters: 28.1541; 7.891; 17.6912; 90; 106.211; 90;

COD ID: 7239787

Formula: - C25 H20 Cl2 N4 Pd -
Comments: Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M. On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes. Physical chemistry chemical physics : PCCP 22(6) (2020) 3217-3233
Space group: P 1 21/c 1
Cell volume: 2228.55
Cell parameters: 12.6868; 18.9392; 9.8058; 90; 108.94; 90;

COD ID: 7239797

Formula: - C22 H18 N4 Se2 -
Comments: Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L. Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy. Physical chemistry chemical physics : PCCP 22(7) (2020) 3817-3824
Space group: P -1
Cell volume: 502.02
Cell parameters: 5.7832; 7.7601; 12.0835; 77.499; 78.664; 73.377;

COD ID: 7239798
CIF file	Formula: - C22 H18 N4 Se2 - Comments: Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L. Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy. Physical chemistry chemical physics : PCCP 22(7) (2020) 3817-3824 Space group: C 1 2/c 1 Cell volume: 2083.4 Cell parameters: 5.7217; 14.197; 25.666; 90; 92.162; 90;

COD ID: 7239799
CIF file	Formula: - C8 H7 N Te - Comments: Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L. Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy. Physical chemistry chemical physics : PCCP 22(7) (2020) 3817-3824 Space group: P 1 21/c 1 Cell volume: 845.8 Cell parameters: 6.031; 16.042; 8.787; 90; 95.82; 90;

COD ID: 7239832
CIF file	Formula: - C1.87 H1.35 N0.13 - Comments: Kim, Min-Ji; Ahn, Mina; Shim, Jun Ho; Wee, Kyung-Ryang Terphenyl backbone-based donor-π-acceptor dyads: geometric isomer effects on intramolecular charge transfer. Physical chemistry chemical physics : PCCP 22(6) (2020) 3370-3378 Space group: P -1 Cell volume: 3134 Cell parameters: 9.7503; 18.6569; 19.6036; 65.086; 76.413; 80.311;

COD ID: 7239842

Formula: - C19 H19 B F2 N2 O -
Comments: Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers. Physical chemistry chemical physics : PCCP 22(7) (2020) 4072-4079
Space group: P 1 21/n 1
Cell volume: 3287.26
Cell parameters: 14.4922; 14.2458; 15.9319; 90; 91.96; 90;

COD ID: 7239843

Formula: - C19 H17 B F2 I2 N2 O -
Comments: Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers. Physical chemistry chemical physics : PCCP 22(7) (2020) 4072-4079
Space group: P 1 21/c 1
Cell volume: 3894.98
Cell parameters: 21.8579; 10.5698; 18.2672; 90; 112.645; 90;

COD ID: 7239881

Formula: - C24 H16 B2 F4 N4 -
Comments: Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R. Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions. Physical chemistry chemical physics : PCCP 22(8) (2020) 4429-4438
Space group: P 1 21/n 1
Cell volume: 1019.02
Cell parameters: 6.0437; 11.6835; 14.5203; 90; 96.343; 90;

COD ID: 7239882

Formula: - C24 H16 B2 F4 N4 -
Comments: Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R. Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions. Physical chemistry chemical physics : PCCP 22(8) (2020) 4429-4438
Space group: C 1 2/c 1
Cell volume: 2005
Cell parameters: 19.818; 10.284; 12.947; 90; 130.539; 90;

COD ID: 7239883

Formula: - C33.5 H22 B3 Cl F6 N6 -
Comments: Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R. Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions. Physical chemistry chemical physics : PCCP 22(8) (2020) 4429-4438
Space group: P 1 21/c 1
Cell volume: 3375
Cell parameters: 20.5; 20.4; 8.11; 90; 95.68; 90;

COD ID: 7239997

Formula: - C96 H108 Ni6 S12 -
Comments: Pembere, Anthony M. S.; Cui, Chaonan; Anumula, Rajini; Wu, Haiming; An, Pan; Liang, Tongling; Luo, Zhixun Correction: A hexagonal Ni<sub>6</sub> cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde. Physical chemistry chemical physics : PCCP 22(10) (2020) 6010-6010
Space group: P 1 21/n 1
Cell volume: 4528
Cell parameters: 11.244; 12.415; 32.461; 90; 92.071; 90;

COD ID: 7240068

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1281.43
Cell parameters: 9.7525; 20.6661; 6.358; 90; 90; 90;

COD ID: 7240069

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1265.7
Cell parameters: 9.7361; 20.626; 6.3029; 90; 90; 90;

COD ID: 7240070

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1225.8
Cell parameters: 9.6689; 20.509; 6.1816; 90; 90; 90;

COD ID: 7240071

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1276.6
Cell parameters: 9.7551; 20.661; 6.334; 90; 90; 90;

COD ID: 7240072

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1251.1
Cell parameters: 9.7115; 20.57; 6.2627; 90; 90; 90;

COD ID: 7240073

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1196.3
Cell parameters: 9.6376; 20.354; 6.0986; 90; 90; 90;

COD ID: 7240074

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1166.8
Cell parameters: 9.6249; 20.271; 5.9805; 90; 90; 90;

COD ID: 7240075

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1120
Cell parameters: 9.5805; 20.129; 5.8077; 90; 90; 90;

COD ID: 7240076

Formula: - C12 H10 N4 O4 Pt -
Comments: Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP 22(12) (2020) 6677-6689
Space group: I b a m
Cell volume: 1132.9
Cell parameters: 9.5883; 20.186; 5.8532; 90; 90; 90;

COD ID: 7240097

Formula: - C19 H20 N2 O3 -
Comments: Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP 22(12) (2020) 6698-6705
Space group: C 1 2/c 1
Cell volume: 3266.9
Cell parameters: 16; 6.7252; 30.665; 90; 98.08; 90;

COD ID: 7240098

Formula: - C17 H21 N3 O -
Comments: Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP 22(12) (2020) 6698-6705
Space group: P 1 21/c 1
Cell volume: 1562.8
Cell parameters: 8.949; 21.987; 8.156; 90; 103.14; 90;

COD ID: 7240099

Formula: - C18 H19 N3 O -
Comments: Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP 22(12) (2020) 6698-6705
Space group: P 1 21/c 1
Cell volume: 1598.3
Cell parameters: 14.488; 6.787; 16.457; 90; 98.99; 90;

COD ID: 7240100

Formula: - C19 H18 N4 O -
Comments: Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP 22(12) (2020) 6698-6705
Space group: P -1
Cell volume: 859.3
Cell parameters: 4.875; 13.717; 14.116; 112.92; 96.63; 92.67;

COD ID: 7240101

Formula: - C15 H18 N4 O -
Comments: Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP 22(12) (2020) 6698-6705
Space group: P 1 21/c 1
Cell volume: 1433.1
Cell parameters: 7.175; 14.95; 13.418; 90; 95.31; 90;

COD ID: 7240102

Formula: - C19 H18 N4 O -
Comments: Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP 22(12) (2020) 6698-6705
Space group: P 1 21/c 1
Cell volume: 1678
Cell parameters: 8.499; 8.283; 23.92; 90; 94.86; 90;

COD ID: 7240162

Formula: - B2 H11 Mg N -
Comments: Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R. The mechanism of Mg<sup>2+</sup> conduction in ammine magnesium borohydride promoted by a neutral molecule. Physical chemistry chemical physics : PCCP 22(17) (2020) 9204-9209
Space group: P n m a
Cell volume: 586.942
Cell parameters: 11.29376; 7.62235; 6.81817; 90; 90; 90;

COD ID: 7240163

Formula: - C15 H21 O6 V -
Comments: Andersen, Anders B. A.; Pyykkönen, Ari; Jensen, Hans Jørgen Aa; McKee, Vickie; Vaara, Juha; Nielsen, Ulla Gro Remarkable reversal of <sup>13</sup>C-NMR assignment in d<sup>1</sup>, d<sup>2</sup> compared to d<sup>8</sup>, d<sup>9</sup> acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations. Physical chemistry chemical physics : PCCP 22(15) (2020) 8048-8059
Space group: P 1 21/n 1
Cell volume: 1654.43
Cell parameters: 7.9785; 12.9974; 15.954; 90; 90.022; 90;

COD ID: 7240214

Formula: - C31 H28 N2 O2 -
Comments: Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives. Physical chemistry chemical physics : PCCP 22(16) (2020) 8522-8534
Space group: P 1 21/n 1
Cell volume: 2390.29
Cell parameters: 7.9995; 14.2069; 21.3942; 90; 100.552; 90;

COD ID: 7240215

Formula: - C31 H28 N2 O2 -
Comments: Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives. Physical chemistry chemical physics : PCCP 22(16) (2020) 8522-8534
Space group: P -1
Cell volume: 1177.23
Cell parameters: 9.3283; 10.2674; 13.0289; 79.338; 87.728; 73.749;

COD ID: 7240216

Formula: - C31 H28 N2 O2 -
Comments: Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives. Physical chemistry chemical physics : PCCP 22(16) (2020) 8522-8534
Space group: P 1 21/c 1
Cell volume: 5007.8
Cell parameters: 12.0942; 14.502; 28.554; 90; 90.589; 90;

COD ID: 7240335

Formula: - C29 H30 Cu F18 N2 O6 -
Comments: Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP 22(20) (2020) 11417-11430
Space group: P 1 21/c 1
Cell volume: 4018
Cell parameters: 20.337; 10.3082; 19.214; 90; 94.041; 90;

COD ID: 7240336

Formula: - C25 H22 Cu F18 N2 O6 -
Comments: Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP 22(20) (2020) 11417-11430
Space group: P b c a
Cell volume: 6824.9
Cell parameters: 10.0639; 19.418; 34.924; 90; 90; 90;

COD ID: 7240337

Formula: - C29 H30 F18 N2 Ni O6 -
Comments: Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP 22(20) (2020) 11417-11430
Space group: C 1 2/c 1
Cell volume: 30433
Cell parameters: 105.18; 14.433; 20.46; 90; 101.531; 90;

COD ID: 7240338

Formula: - C29 H30 Co F18 N2 O6 -
Comments: Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP 22(20) (2020) 11417-11430
Space group: C 1 2/c 1
Cell volume: 32382
Cell parameters: 107.271; 14.8819; 20.6549; 90; 100.871; 90;

COD ID: 7240348

Formula: - C58 H32 Br2 I4 N4 O4 Sn -
Comments: Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins. Physical chemistry chemical physics : PCCP 22(20) (2020) 11558-11566
Space group: P -1
Cell volume: 1390.35
Cell parameters: 8.8174; 10.8226; 15.236; 99.763; 100.739; 96.909;

COD ID: 7240349

Formula: - C58 H32 Cl2 I4 N4 O4 Sn -
Comments: Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins. Physical chemistry chemical physics : PCCP 22(20) (2020) 11558-11566
Space group: P -1
Cell volume: 1505.21
Cell parameters: 9.753; 10.7232; 15.0866; 99.562; 103.457; 93.415;

COD ID: 7240350

Formula: - C36 H27 Bi -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P 1 21/n 1
Cell volume: 2681.2
Cell parameters: 10.0767; 20.4313; 13.8429; 90; 109.817; 90;

COD ID: 7240351

Formula: - C25 H21 Bi -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P 1 21 1
Cell volume: 1950.51
Cell parameters: 15.1772; 6.7889; 19.209; 90; 99.773; 90;

COD ID: 7240352

Formula: - C24 H19 Bi I -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P -1
Cell volume: 1018.57
Cell parameters: 9.3194; 9.6034; 12.8339; 108.743; 99.713; 103.712;

COD ID: 7240353

Formula: - C24 H18 Bi2 I4 -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P -1
Cell volume: 1346.9
Cell parameters: 9.4889; 9.9731; 14.6288; 102.42; 93.506; 92.701;

COD ID: 7240354

Formula: - C12 H9 Bi Br2 -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P 1 21/c 1
Cell volume: 1302.87
Cell parameters: 7.5467; 9.2977; 18.6372; 90; 94.936; 90;

COD ID: 7240355

Formula: - C36 H27 Sb -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P 1 21/n 1
Cell volume: 2636.7
Cell parameters: 10.0086; 20.2781; 13.7772; 90; 109.442; 90;

COD ID: 7240356

Formula: - C24 H18 Bi Br -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P 1 21/n 1
Cell volume: 1988.5
Cell parameters: 9.9115; 15.7922; 13.3369; 90; 107.717; 90;

COD ID: 7240357

Formula: - C12 H9 Bi Cl2 -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P 21 21 21
Cell volume: 1217.52
Cell parameters: 7.6237; 9.0462; 17.654; 90; 90; 90;

COD ID: 7240358

Formula: - C24 H18 Bi Cl -
Comments: Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP 22(18) (2020) 10189-10211
Space group: P -1
Cell volume: 1938.16
Cell parameters: 9.9371; 11.3295; 17.9137; 78.588; 86.69; 78.695;

COD ID: 7240475

Formula: - C42 H35 Au N P S -
Comments: Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP 22(21) (2020) 11915-11927
Space group: P -1
Cell volume: 1661.94
Cell parameters: 11.8146; 12.7494; 12.7733; 74.285; 63.823; 83.926;

COD ID: 7240476

Formula: - C42 H53 Au N P S -
Comments: Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP 22(21) (2020) 11915-11927
Space group: P -1
Cell volume: 1829.6
Cell parameters: 12.571; 12.7256; 13.7715; 104.775; 104.891; 111.277;

COD ID: 7240477

Formula: - C59.61 H67.34 Au N3 S -
Comments: Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP 22(21) (2020) 11915-11927
Space group: P -1
Cell volume: 5261.1
Cell parameters: 14.8591; 15.918; 24.8004; 91.478; 98.399; 114.388;

COD ID: 7240483

Formula: - C32 H23 F7 N O5 P S2 -
Comments: Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP 22(21) (2020) 12301-12311
Space group: P b c a
Cell volume: 6365.7
Cell parameters: 18.0015; 18.7263; 18.8837; 90; 90; 90;

COD ID: 7240484

Formula: - C32 H24 F6 N O5 P S2 -
Comments: Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP 22(21) (2020) 12301-12311
Space group: P c a 21
Cell volume: 3124.7
Cell parameters: 18.1884; 9.1975; 18.6788; 90; 90; 90;

COD ID: 7240485

Formula: - C26 H19 F7 N O4 P S2 -
Comments: Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP 22(21) (2020) 12301-12311
Space group: P -1
Cell volume: 2658.5
Cell parameters: 9.5981; 13.6324; 22.2398; 102.938; 92.159; 109.211;

COD ID: 7240486

Formula: - C32 H23 F7 N O5 P S2 -
Comments: Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP 22(21) (2020) 12301-12311
Space group: P 1 21/n 1
Cell volume: 6363.5
Cell parameters: 18.0534; 19.0695; 20.2712; 90; 114.239; 90;

COD ID: 7240623

Formula: - C27 H25 N7 O15 Th -
Comments: Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP 22(25) (2020) 14293-14308
Space group: P 1 21/c 1
Cell volume: 3105.2
Cell parameters: 9.8122; 20.4453; 15.9721; 90; 104.283; 90;

COD ID: 7240624

Formula: - C27 H25 N7 O15 U -
Comments: Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP 22(25) (2020) 14293-14308
Space group: P 1 21/c 1
Cell volume: 3086.4
Cell parameters: 9.8225; 20.3779; 15.9018; 90; 104.149; 90;

COD ID: 7240625

Formula: - C27 H25 N7 Np O15 -
Comments: Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP 22(25) (2020) 14293-14308
Space group: P 1 21/c 1
Cell volume: 3074
Cell parameters: 9.8352; 20.3151; 15.8431; 90; 103.807; 90;

COD ID: 7240626

Formula: - C27 H25 N7 O15 Pu -
Comments: Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP 22(25) (2020) 14293-14308
Space group: P 1 21/c 1
Cell volume: 3073.9
Cell parameters: 9.8486; 20.3166; 15.8306; 90; 103.965; 90;

COD ID: 7240678

Formula: - C10 H9 N O2 S -
Comments: Bai, Tianwen; Shen, Bo; Cai, Da; Luo, Yifan; Zhou, Peng; Xia, Jingya; Zheng, Botuo; Zhang, Ke; Xie, Rongze; Ni, Xufeng; Xu, Maosheng; Ling, Jun; Sun, Jihong Understanding ring-closing and racemization to prepare α-amino acid NCA and NTA monomers: a DFT study. Physical chemistry chemical physics : PCCP 22(26) (2020) 14868-14874
Space group: P 21 21 21
Cell volume: 1975.21
Cell parameters: 5.2044; 14.896; 25.4784; 90; 90; 90;

COD ID: 7240826

Formula: - C44 H53 Au N P S -
Comments: Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP 22(21) (2020) 11915-11927
Space group: P -1
Cell volume: 1878.03
Cell parameters: 10.5754; 14.0285; 14.1291; 106.091; 98.004; 106.36;

COD ID: 7240827

Formula: - C44 H35 Au N P S -
Comments: Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP 22(21) (2020) 11915-11927
Space group: P -1
Cell volume: 1736.22
Cell parameters: 8.7524; 13.692; 16.4993; 114.397; 90.4473; 103.778;

COD ID: 7240828

Formula: - C53.78 H57.57 Au Cl1.57 N3 S -
Comments: Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP 22(21) (2020) 11915-11927
Space group: P 21 21 21
Cell volume: 5131.4
Cell parameters: 15.0586; 17.686; 19.2675; 90; 90; 90;

COD ID: 7240937

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 520.59
Cell parameters: 8.97809; 8.97809; 6.4585; 90; 90; 90;

COD ID: 7240938

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 480.34
Cell parameters: 8.7712; 8.7712; 6.2436; 90; 90; 90;

COD ID: 7240939

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 513.94
Cell parameters: 8.9435; 8.9435; 6.4253; 90; 90; 90;

COD ID: 7240940

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 485.22
Cell parameters: 8.7949; 8.7949; 6.273; 90; 90; 90;

COD ID: 7240941

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 475.1
Cell parameters: 8.7425; 8.7425; 6.2161; 90; 90; 90;

COD ID: 7240942

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 497.11
Cell parameters: 8.8591; 8.8591; 6.3339; 90; 90; 90;

COD ID: 7240943

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 504.57
Cell parameters: 8.8963; 8.8963; 6.3753; 90; 90; 90;

COD ID: 7240944

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 471.14
Cell parameters: 8.722; 8.722; 6.1933; 90; 90; 90;

COD ID: 7240945

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 449
Cell parameters: 8.6076; 8.6076; 6.0602; 90; 90; 90;

COD ID: 7240946

Formula: - Cl4 H12 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 458.47
Cell parameters: 8.6538; 8.6538; 6.122; 90; 90; 90;

COD ID: 7240947

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 691.07
Cell parameters: 10.3266; 10.3266; 6.4805; 90; 90; 90;

COD ID: 7240948

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 687.57
Cell parameters: 10.3078; 10.3078; 6.4712; 90; 90; 90;

COD ID: 7240949

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 696.25
Cell parameters: 10.35151; 10.35151; 6.4977; 90; 90; 90;

COD ID: 7240950

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 654.41
Cell parameters: 10.1452; 10.1452; 6.3581; 90; 90; 90;

COD ID: 7240951

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 644.6
Cell parameters: 10.0908; 10.0908; 6.3306; 90; 90; 90;

COD ID: 7240952

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 639.1
Cell parameters: 10.056; 10.056; 6.32; 90; 90; 90;

COD ID: 7240953

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 664.1
Cell parameters: 10.1964; 10.1964; 6.3876; 90; 90; 90;

COD ID: 7240954

Formula: - C4 H20 Cl4 N4 Pt2 -
Comments: Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP 22(31) (2020) 17668-17676
Space group: P 4/m n c
Cell volume: 675.41
Cell parameters: 10.2482; 10.2482; 6.4309; 90; 90; 90;

COD ID: 7240975
CIF file	Formula: - C23 H15 N3 - Comments: Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli. Physical chemistry chemical physics : PCCP 22(34) (2020) 19195-19201 Space group: P 1 21/c 1 Cell volume: 1718.2 Cell parameters: 8.4001; 27.6987; 7.49; 90; 99.621; 90;

COD ID: 7241040

Formula: - C34 H24 O2 -
Comments: Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP 22(35) (2020) 19855-19863
Space group: P 1 21/n 1
Cell volume: 1180.62
Cell parameters: 6.0757; 16.4664; 11.9301; 90; 98.44; 90;

COD ID: 7241041

Formula: - C34 H24 O2 -
Comments: Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP 22(35) (2020) 19855-19863
Space group: P -1
Cell volume: 1181.03
Cell parameters: 10.3715; 10.426; 12.2917; 92.1911; 108.336; 108.655;

COD ID: 7241042

Formula: - C41 H32 O2 -
Comments: Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP 22(35) (2020) 19855-19863
Space group: C 1 2/c 1
Cell volume: 2917.9
Cell parameters: 31.5547; 6.137; 17.2488; 90; 119.126; 90;

COD ID: 7241043

Formula: - C34 H24 O2 -
Comments: Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP 22(35) (2020) 19855-19863
Space group: P 1 21 1
Cell volume: 1172.6
Cell parameters: 6.0678; 16.401; 11.9151; 90; 98.556; 90;

COD ID: 7241044

Formula: - C40 H29 Cl O2 -
Comments: Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP 22(35) (2020) 19855-19863
Space group: C 1 2/c 1
Cell volume: 2917
Cell parameters: 31.3116; 6.1363; 17.3304; 90; 118.835; 90;

COD ID: 7241108

Formula: - C24 H28 Cl4 N4 O4 -
Comments: Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric Counterintuitive torsional barriers controlled by hydrogen bonding. Physical chemistry chemical physics : PCCP 22(36) (2020) 20602-20611
Space group: P 1 21/c 1
Cell volume: 2822.2
Cell parameters: 9.8228; 15.994; 18.5143; 90; 104.008; 90;

COD ID: 7241109

Formula: - C24 H26 O6 -
Comments: Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric Counterintuitive torsional barriers controlled by hydrogen bonding. Physical chemistry chemical physics : PCCP 22(36) (2020) 20602-20611
Space group: P -1
Cell volume: 2134
Cell parameters: 9.6496; 12.0424; 19.8345; 81.278; 82.463; 70.074;

COD ID: 7241148

Formula: - C19 H21 B O3 -
Comments: Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP 22(37) (2020) 21445-21452
Space group: P 1 21/n 1
Cell volume: 1710.67
Cell parameters: 6.3536; 11.4414; 23.5584; 90; 92.688; 90;

COD ID: 7241149

Formula: - C19 H21 B O3 -
Comments: Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP 22(37) (2020) 21445-21452
Space group: P 1 21/n 1
Cell volume: 1717.82
Cell parameters: 6.27903; 10.62604; 25.7596; 90; 91.8497; 90;

COD ID: 7241150

Formula: - C19 H21 B O3 -
Comments: Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP 22(37) (2020) 21445-21452
Space group: P 1 21/c 1
Cell volume: 1765.16
Cell parameters: 12.4558; 12.11252; 12.7411; 90; 113.325; 90;

COD ID: 7241151

Formula: - C19 H21 B O3 -
Comments: Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP 22(37) (2020) 21445-21452
Space group: P 1 21/c 1
Cell volume: 1692.23
Cell parameters: 8.73519; 9.35255; 21.1327; 90; 101.428; 90;

COD ID: 7241237

Formula: - C11 H13 N5 O5 S2 -
Comments: Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L. Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods. Physical chemistry chemical physics : PCCP 22(36) (2020) 20867-20879
Space group: C 1 2/c 1
Cell volume: 3038.2
Cell parameters: 28.8618; 7.5904; 14.3121; 90; 104.306; 90;

COD ID: 7241296

Formula: - C20 H11 F3 N3 O -
Comments: Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics. Physical chemistry chemical physics : PCCP 22(41) (2020) 23637-23644
Space group: P 1 21/n 1
Cell volume: 1563
Cell parameters: 7.5809; 19.0996; 11.1263; 90; 104.022; 90;

COD ID: 7241361

Formula: - C42 H20 B F24 S8 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P 1 21/c 1
Cell volume: 4816.8
Cell parameters: 10.1692; 22.6293; 20.9402; 90; 91.6312; 90;

COD ID: 7241362

Formula: - C7 H10 B11 Br6 S4 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P 1 21/m 1
Cell volume: 1151.68
Cell parameters: 8.1423; 13.7726; 10.2776; 90; 92.209; 90;

COD ID: 7241363

Formula: - C85 H50 B2 Cl2 F48 Se8 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P -1
Cell volume: 4840.1
Cell parameters: 13.8745; 14.2009; 26.1484; 93.003; 99.251; 106.843;

COD ID: 7241364

Formula: - C42 H24 B F24 Se4 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P -1
Cell volume: 2267.35
Cell parameters: 10.4486; 14.0122; 15.7753; 89.036; 83.401; 81.206;

COD ID: 7241365

Formula: - C23 H44 B11 S8 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P -1
Cell volume: 3626.2
Cell parameters: 14.9617; 15.7799; 17.0816; 111.658; 101.268; 94.4328;

COD ID: 7241366

Formula: - C12 H16 B11 Br6 Cl2 S8 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P 1 21/c 1
Cell volume: 3388.7
Cell parameters: 11.0183; 11.7862; 26.111; 90; 92.046; 90;

COD ID: 7241367

Formula: - C11 H18 B11 Br6 Se4 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P 1 21/c 1
Cell volume: 2848.6
Cell parameters: 8.8819; 21.3136; 15.0603; 90; 92.345; 90;

COD ID: 7241368

Formula: - C70 H146 B33 Cl2 Se12 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P 1 21/c 1
Cell volume: 10361
Cell parameters: 9.1263; 74.893; 15.658; 90; 104.505; 90;

COD ID: 7241369

Formula: - C11 H18 B11 Br6 S4 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P 1 21/c 1
Cell volume: 2782
Cell parameters: 9.0536; 20.5662; 15.0317; 90; 96.2939; 90;

COD ID: 7241370

Formula: - C23 H48 B11 S4 -
Comments: Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP 22(43) (2020) 25054-25065
Space group: P -1
Cell volume: 826.7
Cell parameters: 9.0883; 9.2043; 10.2496; 83.788; 76.145; 85.976;

COD ID: 7241380

Formula: - C12 H30 Cl14 N4 O4 W6 -
Comments: Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP 22(43) (2020) 25344-25352
Space group: P 1 21/n 1
Cell volume: 1871.05
Cell parameters: 10.6059; 10.3846; 17.1139; 90; 96.948; 90;

COD ID: 7241381

Formula: - C12 H30 Cl14 N4 O4 W6 -
Comments: Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP 22(43) (2020) 25344-25352
Space group: P 1 21/n 1
Cell volume: 1870.4
Cell parameters: 10.6198; 10.3883; 17.0912; 90; 97.256; 90;

COD ID: 7241382

Formula: - C12 H30 Cl14 N4 O4 W6 -
Comments: Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP 22(43) (2020) 25344-25352
Space group: P 1 21/n 1
Cell volume: 1970.2
Cell parameters: 10.892; 10.536; 17.354; 90; 98.397; 90;

COD ID: 7241650

Formula: - C14 H17 F6 O P Ru -
Comments: Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP 22(44) (2020) 25803-25810
Space group: P 21 21 21
Cell volume: 1523.87
Cell parameters: 9.5873; 12.2766; 12.9471; 90; 90; 90;

COD ID: 7241651

Formula: - C15 H29 B11 O Ru -
Comments: Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP 22(44) (2020) 25803-25810
Space group: P 1 21/c 1
Cell volume: 2100.5
Cell parameters: 9.59; 22.809; 9.636; 90; 94.756; 90;

COD ID: 7241652

Formula: - C15 H29 B11 O Ru -
Comments: Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP 22(44) (2020) 25803-25810
Space group: P -1
Cell volume: 1038.1
Cell parameters: 8.7042; 10.1448; 12.0722; 99.046; 95.893; 96.477;

COD ID: 7241704

Formula: - C12 H17 N O2 S -
Comments: Scholten, Kevin; Engelage, Elric; Merten, Christian Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions. Physical chemistry chemical physics : PCCP 22(48) (2020) 27979-27986
Space group: P 21 21 21
Cell volume: 1227.97
Cell parameters: 6.27149; 13.8374; 14.1502; 90; 90; 90;

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