Crystallography Open Database
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Searching journal of publication like 'Physical chemistry chemical physics : PCCP'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1544075 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1215; 14.5537; 17.0259 90; 92.957; 90 | 3742 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544076 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1192; 14.5268; 17.0178 90; 93.017; 90 | 3732.5 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544077 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.007; 14.3798; 16.6543 90; 92.812; 90 | 3589.6 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544078 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.0917; 14.196; 17.1443 90; 94.31; 90 | 3662.6 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544079 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.092; 14.1832; 17.1387 90; 94.321; 90 | 3658.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544080 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1117; 14.5148; 17.011 90; 93.032; 90 | 3726 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544081 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.0934; 14.2495; 17.147 90; 94.234; 90 | 3677.8 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544082 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1103; 14.4939; 17.0017 90; 93.063; 90 | 3718.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544083 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1196; 14.5444; 17.023 90; 92.966; 90 | 3738.4 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544084 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.0918; 14.2146; 17.1441 90; 94.286; 90 | 3667.5 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544085 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.097; 14.3013; 17.1496 90; 94.136; 90 | 3693.1 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544086 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.094; 14.2636; 17.1499 90; 94.206; 90 | 3682.3 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544087 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.0958; 14.2842; 17.1476 90; 94.159; 90 | 3687.8 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544088 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1034; 14.3594; 17.1456 90; 94.006; 90 | 3709.4 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544089 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.0995; 14.3215; 17.1475 90; 94.087; 90 | 3698.7 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544090 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1239; 14.5665; 17.0273 90; 92.929; 90 | 3746.3 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544091 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1158; 14.507; 17.0102 90; 93.051; 90 | 3724.8 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544092 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1104; 14.4217; 17.1457 90; 93.883; 90 | 3727.8 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544093 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1213; 14.5553; 17.0282 90; 92.945; 90 | 3742.9 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544094 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1221; 14.5091; 17.1448 90; 93.707; 90 | 3753.8 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544095 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1005; 14.3391; 17.147 90; 94.05; 90 | 3703.5 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544096 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.117; 14.4666; 17.1452 90; 93.793; 90 | 3741.3 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544097 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1281; 14.555; 17.1464 90; 93.621; 90 | 3767.9 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544098 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1251; 14.5335; 17.1467 90; 93.657; 90 | 3761.5 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544099 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.092; 14.2288; 17.1508 90; 94.277; 90 | 3672.7 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544100 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1195; 14.4879; 17.1458 90; 93.756; 90 | 3747.7 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544101 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.13; 14.5806; 17.1485 90; 93.558; 90 | 3775.7 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544102 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1135; 14.4437; 17.1447 90; 93.836; 90 | 3734.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544103 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1082; 14.4006; 17.1451 90; 93.924; 90 | 3721.5 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544104 | CIF | C38 H28 N10 S2 Zn | P 1 21/c 1 | 15.1058; 14.379; 17.1457 90; 93.973; 90 | 3715.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544105 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0064; 14.3397; 16.6293 90; 92.918; 90 | 3573.8 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544106 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 14.9984; 14.3524; 16.635 90; 92.822; 90 | 3576.6 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544107 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0133; 14.3893; 16.6664 90; 92.825; 90 | 3596.1 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544108 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0068; 14.35; 16.6364 90; 92.859; 90 | 3578.1 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544109 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.007; 14.3657; 16.6511 90; 92.856; 90 | 3585.3 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544110 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0091; 14.3725; 16.6495 90; 92.839; 90 | 3587.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544111 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0119; 14.3903; 16.6678 90; 92.793; 90 | 3596.4 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544112 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0171; 14.3939; 16.6705 90; 92.807; 90 | 3599.1 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544113 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.009; 14.3641; 16.6475 90; 92.803; 90 | 3584.8 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544114 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0178; 14.4001; 16.6809 90; 92.794; 90 | 3603.1 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544115 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0534; 14.4184; 16.7682 90; 92.865; 90 | 3634.9 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544116 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.08; 14.4253; 16.8673 90; 92.994; 90 | 3664.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544117 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0821; 14.4302; 16.8916 90; 93.026; 90 | 3671.1 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544118 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0294; 14.4106; 16.7098 90; 92.796; 90 | 3614.7 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544119 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0368; 14.4119; 16.7208 90; 92.815; 90 | 3619.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544120 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0266; 14.4078; 16.6985 90; 92.813; 90 | 3610.9 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544121 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0861; 14.4369; 16.927 90; 93.073; 90 | 3681.3 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544122 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0406; 14.4132; 16.7432 90; 92.832; 90 | 3625.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544123 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1046; 14.4631; 16.9754 90; 93.103; 90 | 3703 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544124 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0984; 14.4452; 16.9444 90; 93.086; 90 | 3690.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544125 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0676; 14.4217; 16.8187 90; 92.929; 90 | 3649.9 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544126 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1045; 14.4584; 16.9678 90; 93.103; 90 | 3700.1 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544127 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1063; 14.4809; 16.9914 90; 93.085; 90 | 3711.5 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544128 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0902; 14.4342; 16.9112 90; 93.056; 90 | 3678.3 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544129 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1127; 14.4897; 16.9969 90; 93.083; 90 | 3716.6 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544130 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0573; 14.42; 16.7947 90; 92.889; 90 | 3641.9 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544131 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0961; 14.4493; 16.955 90; 93.099; 90 | 3693 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544132 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1081; 14.4721; 16.9844 90; 93.095; 90 | 3708.2 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544133 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.0713; 14.4223; 16.8453 90; 92.962; 90 | 3656.7 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1544134 | CIF | C38 H28 Fe N10 S2 | P 1 21/c 1 | 15.1186; 14.5293; 17.0171 90; 93.012; 90 | 3732.9 | Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P. Structural movies of the gradual spin-crossover in a molecular complex at various physical scales. Physical chemistry chemical physics : PCCP, 2016, 18, 28307-28315 |
1550826 | CIF | C40 H34 Cl3 N3 O9 | P -1 | 12.7636; 13.1274; 14.2142 81.027; 74.327; 61.269 | 2009.81 | Kielesiński, Łukasz; Morawski, Olaf W.; Sobolewski, Andrzej L.; Gryko, Daniel T. The synthesis and photophysical properties of tris-coumarins. Physical chemistry chemical physics : PCCP, 2019, 21, 8314-8325 |
7202767 | CIF | C19 H13 N5 O12 | P n a 21 | 6.86; 13.404; 22.474 90; 90; 90 | 2066.5 | Balevicius, Vytautas; Bariseviciute, Ruta; Aidas, Kestutis; Svoboda, Ingrid; Ehrenberg, Helmut; Fuess, Hartmut Proton transfer in hydrogen-bonded pyridine/acid systems: the role of higher aggregation. Physical chemistry chemical physics : PCCP, 2007, 9, 3181-3189 |
7202841 | CIF | C2 H7 N O3 S | P 1 21/c 1 | 5.2737; 11.658; 7.7995 90; 94.07; 90 | 478.31 | Beukes, J. A.; Mo, F.; van Beek, W. X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study. Physical chemistry chemical physics : PCCP, 2007, 9, 4709-4720 |
7202842 | CIF | C2 H7 N O3 S | P 1 21/c 1 | 5.2815; 11.644; 7.9276 90; 94.09; 90 | 486.29 | Beukes, J. A.; Mo, F.; van Beek, W. X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study. Physical chemistry chemical physics : PCCP, 2007, 9, 4709-4720 |
7203146 | CIF | C23.33 H21.33 Cl0.67 I O0.33 P | P 1 21/n 1 | 10.636; 17.24; 34.915 90; 96.66; 90 | 6359 | Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel EPR and DFT studies of the one-electron reduction product of phospholium cations. Physical chemistry chemical physics : PCCP, 2006, 8, 862-868 |
7203147 | CIF | C13 H18 I O P | P b c a | 14.354; 11.207; 17.548 90; 90; 90 | 2822.9 | Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel EPR and DFT studies of the one-electron reduction product of phospholium cations. Physical chemistry chemical physics : PCCP, 2006, 8, 862-868 |
7203148 | CIF | C20 H18 Cl2 I P | P 1 21/n 1 | 19.007; 10.697; 20.438 90; 104.57; 90 | 4021.8 | Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel EPR and DFT studies of the one-electron reduction product of phospholium cations. Physical chemistry chemical physics : PCCP, 2006, 8, 862-868 |
7203250 | CIF | C44 H32 F6 N4 O4 S4 | I 1 2 1 | 16.2521; 16.252; 15.5357 90; 90; 90 | 4103.4 | Brückner, Christian; Foss, Paul C. D.; Sullivan, James O.; Pelto, Ryan; Zeller, Matthias; Birge, Robert R.; Crundwell, Guy Origin of the bathochromically shifted optical spectra of meso-tetrathien-2'- and 3'-ylporphyrins as compared to meso-tetraphenylporphyrin. Physical chemistry chemical physics : PCCP, 2006, 8, 2402-2412 |
7203823 | CIF | C26 H20 O2 | P 1 21/a 1 | 13.848; 9.052; 17.146 90; 114.32; 90 | 1959 | Pedro D. Vaz; Mariela Nolasco; Nelson Fonseca; Ana M. Amado; António M. Amorim da Costa; Vitor Félix; Michael G. B. Drew; Brian J. Goodfellow; Paulo J. A. Ribeiro-Claro C-H...O hydrogen bonding in 4-phenyl-benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study. Physical chemistry chemical physics : PCCP, 2005, 7, 3027-3034 |
7205528 | CIF | C19 H24 N5 O40 P W12 | C 1 2/c 1 | 23.5058; 14.3158; 16.6984 90; 119.933; 90 | 4869.6 | Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals. Physical chemistry chemical physics : PCCP, 2011, 13, 322-327 |
7205529 | CIF | C15 H18 N3 O40 P W12 | P 1 21/n 1 | 12.216; 14.035; 12.988 90; 98.045; 90 | 2204.9 | Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals. Physical chemistry chemical physics : PCCP, 2011, 13, 322-327 |
7205530 | CIF | C13 H6 N4 O4 S4 | P 1 21/n 1 | 12.8201; 16.9483; 14.7822 90; 90.024; 90 | 3211.9 | Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene. Physical chemistry chemical physics : PCCP, 2011, 13, 2857-2869 |
7205531 | CIF | C12 H5 N5 O2 S6 | P -1 | 7.5426; 9.0675; 13.3535 75.171; 76.615; 73.739 | 834.88 | Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene. Physical chemistry chemical physics : PCCP, 2011, 13, 2857-2869 |
7205532 | CIF | C7 H2 N4 O4 | P 1 21/c 1 | 9.8632; 8.1924; 10.8 90; 111.484; 90 | 812 | Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene. Physical chemistry chemical physics : PCCP, 2011, 13, 2857-2869 |
7205533 | CIF | C27 H15 N6 S6 | P 1 21/c 1 | 5.8286; 22.7537; 19.7775 90; 94.418; 90 | 2615.14 | Kurach, Ewa; Djurado, David; Rimarčik, Jan; Kornet, Aleksandra; Wlostowski, Marek; Lukeš, Vladimir; Pécaut, Jacques; Zagorska, Malgorzata; Pron, Adam Effect of substituents on redox, spectroscopic and structural properties of conjugated diaryltetrazines-a combined experimental and theoretical study. Physical chemistry chemical physics : PCCP, 2011, 13, 2690-2700 |
7205534 | CIF | C14 H14 O3 | P 1 21 1 | 7.7354; 5.7181; 13.3641 90; 93.737; 90 | 589.86 | King, Matthew D.; Buchanan, William D.; Korter, Timothy M. Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals. Physical chemistry chemical physics : PCCP, 2011, 13, 4250-4259 |
7205897 | CIF | C15 H8 Ba O6 | P 1 | 6.7676; 7.2311; 14.1591 82.763; 84.102; 66.047 | 627.17 | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K. Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting. Physical chemistry chemical physics : PCCP, 2011, 13, 7622-7629 |
7205898 | CIF | C15 H12 Cd O8 | P 1 21/c 1 | 7.7123; 28.5057; 6.6459 90; 105.05; 90 | 1410.95 | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K. Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting. Physical chemistry chemical physics : PCCP, 2011, 13, 7622-7629 |
7205899 | CIF | C15 H10 Mn O7 | C 1 2/c 1 | 26.943; 7.2476; 6.9261 90; 97.703; 90 | 1340.27 | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K. Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting. Physical chemistry chemical physics : PCCP, 2011, 13, 7622-7629 |
7205900 | CIF | C18 H26 Ni2 Si2 | C 1 2/c 1 | 18.1708; 6.5265; 17.4683 90; 116.771; 90 | 1849.55 | Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B.; Woźniak, Krzysztof On the nature of NiNi interaction in a model dimeric Ni complex. Physical chemistry chemical physics : PCCP, 2011, 13, 10280-10284 |
7205901 | CIF | C57 H70 N6 O20 | P -1 | 11.932; 16.268; 16.358 77.24; 72.99; 72.58 | 2866 | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J. Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations. Physical chemistry chemical physics : PCCP, 2011, 13, 6423-6433 |
7205902 | CIF | C108 H118 N12 O33 | P 1 21/n 1 | 16.375; 27.574; 23.898 90; 109.868; 90 | 10148 | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J. Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations. Physical chemistry chemical physics : PCCP, 2011, 13, 6423-6433 |
7205903 | CIF | C34 H37 N3 O8 | P 1 21/c 1 | 13.471; 18.802; 12.373 90; 95.42; 90 | 3119.8 | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J. Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations. Physical chemistry chemical physics : PCCP, 2011, 13, 6423-6433 |
7205904 | CIF | C99 H99 Bi8 I33 N18 | P n m a | 24.862; 31.758; 20.555 90; 90; 90 | 16230 | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties. Physical chemistry chemical physics : PCCP, 2011, 13, 5659-5667 |
7205905 | CIF | C36 H39 Bi2.67 I11 N6 | P n m a | 8.4498; 31.165; 21.534 90; 90; 90 | 5670.7 | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties. Physical chemistry chemical physics : PCCP, 2011, 13, 5659-5667 |
7205906 | CIF | C14 H18 Bi2 I8 N2 | P b c a | 20.254; 11.741; 25.352 90; 90; 90 | 6029 | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties. Physical chemistry chemical physics : PCCP, 2011, 13, 5659-5667 |
7206030 | CIF | C96 H216 Mo24 N6 O79 S2 | P 1 21/n 1 | 22.2013; 30.4426; 24.1244 90; 91.274; 90 | 16300.8 | Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy Exploring the thermochromism of sulfite-embedded polyoxometalate capsules. Physical chemistry chemical physics : PCCP, 2011, 13, 7295-7297 |
7206031 | CIF | C96 H216 Mo24 N6 O79 S2 | P 1 21/n 1 | 22.0259; 29.9732; 23.9492 90; 90.628; 90 | 15810 | Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy Exploring the thermochromism of sulfite-embedded polyoxometalate capsules. Physical chemistry chemical physics : PCCP, 2011, 13, 7295-7297 |
7206032 | CIF | C16 H22 Cu I3 N2 | P 1 21/c 1 | 12.469; 11.529; 14.906 90; 91.38; 90 | 2142.2 | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Lang, Jian-Ping Dielectric anisotropy of the single crystal of isopropylviologen copper(i) triiodide. Physical chemistry chemical physics : PCCP, 2011, 13, 10781-10786 |
7206161 | CIF | C H2 O | P -4 21 c | 8.7411; 8.7411; 4.474 90; 90; 90 | 341.84 | Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R. Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes. Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091 |
7206162 | CIF | C2 H5 N O | P 1 21/c 1 | 8.7855; 8.5307; 8.6148 90; 90.207; 90 | 645.64 | Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R. Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes. Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091 |
7206163 | CIF | C3 H4 O | P b c a | 7.134; 9.694; 9.93 90; 90; 90 | 686.7 | Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R. Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes. Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091 |
7206343 | CIF | C17 H18 N2 O2 S | P -1 | 7.4105; 8.9753; 12.2407 94.259; 94.526; 100.2 | 795.54 | Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine. Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816 |
7206344 | CIF | C17 H18 N2 O2 S | P -1 | 7.3605; 8.9292; 12.2136 94.491; 94.715; 100.07 | 784.16 | Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine. Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816 |
7206346 | CIF | C17 H18 N2 O2 S | P -1 | 8.8708; 12.1901; 14.6128 94.97; 100.217; 95.036 | 1540.67 | Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine. Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816 |
7206347 | CIF | C17 H18 N2 O3 S | P 1 21/n 1 | 10.6987; 12.4986; 11.9748 90; 91.067; 90 | 1600.98 | Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine. Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816 |
7206434 | CIF | C14 H10 N4 | P -1 | 6.7837; 8.7711; 10.7042 75.951; 71.904; 77.94 | 581.1 | Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines. Physical chemistry chemical physics : PCCP, 2011, 13, 15854-15864 |
7206435 | CIF | C13 H9 N5 | P 21 21 21 | 4.9475; 10.0332; 21.929 90; 90; 90 | 1088.5 | Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines. Physical chemistry chemical physics : PCCP, 2011, 13, 15854-15864 |
7206436 | CIF | C13 H13 N5 | C 1 2/c 1 | 21.133; 8.8277; 13.0345 90; 96.616; 90 | 2415.5 | Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines. Physical chemistry chemical physics : PCCP, 2011, 13, 15854-15864 |
7206437 | CIF | C15 H15 N2.5 O0.5 | P 1 21/c 1 | 6.3306; 20.0666; 9.8174 90; 106.713; 90 | 1194.46 | Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations. Physical chemistry chemical physics : PCCP, 2011, 13, 15845-15853 |
7206438 | CIF | C15 H11 N2 | C 1 2/c 1 | 16.8348; 16.8841; 17.4604 90; 109.748; 90 | 4671.1 | Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations. Physical chemistry chemical physics : PCCP, 2011, 13, 15845-15853 |
7206439 | CIF | C4 H9 N | P 1 21/c 1 | 8.6367; 5.2081; 10.6375 90; 110.579; 90 | 447.95 | Dziubek, Kamil F.; Katrusiak, Andrzej Pressure-induced pseudorotation in crystalline pyrrolidine. Physical chemistry chemical physics : PCCP, 2011, 13, 15428-15431 |
7206440 | CIF | C4 H9 N | P 1 21/c 1 | 8.717; 5.233; 10.831 90; 110.45; 90 | 462.93 | Dziubek, Kamil F.; Katrusiak, Andrzej Pressure-induced pseudorotation in crystalline pyrrolidine. Physical chemistry chemical physics : PCCP, 2011, 13, 15428-15431 |
7206441 | CIF | C4 H9 N | P -1 | 7.702; 4.938; 10.572 94.37; 98.54; 99.59 | 389.96 | Dziubek, Kamil F.; Katrusiak, Andrzej Pressure-induced pseudorotation in crystalline pyrrolidine. Physical chemistry chemical physics : PCCP, 2011, 13, 15428-15431 |
7206442 | CIF | C14 H6 F2 S4 | P 1 21/c 1 | 12.592; 3.903; 14.221 90; 110.208; 90 | 655.9 | Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives. Physical chemistry chemical physics : PCCP, 2011, 13, 14370-14377 |
7206443 | CIF | C22 H24 S4 | P -1 | 10.701; 15.76; 6.242 91.27; 91.08; 86.64 | 1050 | Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives. Physical chemistry chemical physics : PCCP, 2011, 13, 14370-14377 |
7206444 | CIF | C18 H20 S6 | P 1 21/n 1 | 18.922; 17.118; 6.284 90; 94.23; 90 | 2029.9 | Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives. Physical chemistry chemical physics : PCCP, 2011, 13, 14370-14377 |
7206578 | CIF | C22 H28 Cl Mn N2 O10 | P 1 21/c 1 | 13.7192; 15.7383; 13.6309 90; 119.689; 90 | 2556.8 | González-Riopedre, Gustavo; Fernández-García, M Isabel; González-Noya, Ana M; Vázquez-Fernández, M Ángeles; Bermejo, Manuel R.; Maneiro, Marcelino Manganese-Schiff base complexes as catalysts for water photolysis. Physical chemistry chemical physics : PCCP, 2011, 13, 18069-18077 |
7206579 | CIF | C15 H20 N6 O6 S | P 21 21 21 | 4.8367; 12.1128; 30.967 90; 90; 90 | 1814.2 | Swanick, Kalen N.; Dodd, David W.; Price, Jacquelyn T.; Brazeau, Allison L.; Jones, Nathan D.; Hudson, Robert H. E.; Ding, Zhifeng Electrogenerated chemiluminescence of triazole-modified deoxycytidine analogues in N,N-dimethylformamide. Physical chemistry chemical physics : PCCP, 2011, 13, 17405-17412 |
7206580 | CIF | C14 H17 N O4 | P 1 21/c 1 | 13.179; 7.241; 15.27 90; 101.58; 90 | 1427.5 | Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario Efficient crystallization induced emissive materials based on a simple push-pull molecular structure. Physical chemistry chemical physics : PCCP, 2011, 13, 18005-18014 |
7206581 | CIF | C16 H21 N O4 | P 1 21/c 1 | 14.7372; 7.5331; 15.9358 90; 115.266; 90 | 1599.9 | Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario Efficient crystallization induced emissive materials based on a simple push-pull molecular structure. Physical chemistry chemical physics : PCCP, 2011, 13, 18005-18014 |
7206582 | CIF | C16 H21 N O4 | C 1 2/c 1 | 23.263; 7.821; 19.649 90; 116.614; 90 | 3196.2 | Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario Efficient crystallization induced emissive materials based on a simple push-pull molecular structure. Physical chemistry chemical physics : PCCP, 2011, 13, 18005-18014 |
7206766 | CIF | La3 Li7 O12 Zr2 | I a -3 d | 12.94384; 12.94384; 12.94384 90; 90; 90 | 2168.65 | Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen Structure and dynamics of the fast lithium ion conductor "Li(7)La(3)Zr(2)O(12)". Physical chemistry chemical physics : PCCP, 2011, 13, 19378-19392 |
7206767 | CIF | C29 H22 Cl3 N7 Ru | P 1 21/n 1 | 9.2018; 17.8945; 16.4125 90; 90.386; 90 | 2702.4 | Planas, Nora; Ono, Takashi; Vaquer, Lydia; Miró, Pere; Benet-Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes. Physical chemistry chemical physics : PCCP, 2011, 13, 19480-19484 |
7206881 | CIF | C6 H12 F6 N2 O4 S2 | P -1 | 8.343; 12.798; 13.793 91.36; 90.644; 93.478 | 1469.5 | Yoshida, Yukihiro; Saito, Gunzi Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties. Physical chemistry chemical physics : PCCP, 2011, 13, 20302-20310 |
7206882 | CIF | C8 H12 F10 N2 O4 S2 | P 1 21/n 1 | 10.1328; 17.3243; 10.287 90; 105.36; 90 | 1741.3 | Yoshida, Yukihiro; Saito, Gunzi Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties. Physical chemistry chemical physics : PCCP, 2011, 13, 20302-20310 |
7206883 | CIF | C4 H12 F2 N2 O4 S2 | P 1 21/m 1 | 5.8107; 11.1323; 8.4816 90; 90.683; 90 | 548.61 | Yoshida, Yukihiro; Saito, Gunzi Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties. Physical chemistry chemical physics : PCCP, 2011, 13, 20302-20310 |
7206884 | CIF | C8 H21 I N2 | C m c m | 8.8848; 10.8203; 11.8758 90; 90; 90 | 1141.69 | Beran, Gregory J. O.; Chronister, Eric L.; Daemen, Luke L.; Moehlig, Aaron R.; Mueller, Leonard J.; Oomens, Jos; Rice, Andrew; Santiago-Dieppa, David R; Tham, Fook S.; Theel, Kelly; Yaghmaei, Sepideh; Morton, Thomas Hellman Vibrations of a chelated proton in a protonated tertiary diamine. Physical chemistry chemical physics : PCCP, 2011, 13, 20380-20392 |
7207309 | CIF | C4 H3 Ag F6 N2 O4 S2 | P 1 21/c 1 | 7.6535; 18.7315; 8.4452 90; 99.254; 90 | 1194.96 | Schaltin, Stijn; Brooks, Neil R.; Stappers, Linda; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan High current density electrodeposition from silver complex ionic liquids. Physical chemistry chemical physics : PCCP, 2012, 14, 1706-1715 |
7207310 | CIF | C12 H16 Ag F6 N5 O4 S2 | P 1 21/n 1 | 14.9257; 8.6793; 16.5837 90; 108.698; 90 | 2034.94 | Schaltin, Stijn; Brooks, Neil R.; Stappers, Linda; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan High current density electrodeposition from silver complex ionic liquids. Physical chemistry chemical physics : PCCP, 2012, 14, 1706-1715 |
7207311 | CIF | C36 H23 F6 N2 O P S | P 1 21/m 1 | 13.773; 6.7999; 15.291 90; 96.715; 90 | 1422.3 | Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W. Photoinduced charge shift and charge recombination through an alkynyl spacer for an expanded acridinium-based dyad. Physical chemistry chemical physics : PCCP, 2012, 14, 3194-3199 |
7207312 | CIF | C34 H24 N6 O2 | P 1 21/c 1 | 14.1772; 14.2156; 13.9291 90; 97.092; 90 | 2785.8 | Zhang, Ming-Dao; Pan, Hao; Ju, Xue-Hai; Ji, Ya-Jun; Qin, Ling; Zheng, He-Gen; Zhou, Xing-Fu Improvement of dye-sensitized solar cells' performance through introducing suitable heterocyclic groups to triarylamine dyes. Physical chemistry chemical physics : PCCP, 2012, 14, 2809-2815 |
7207676 | CIF | C32 H26 N2 O4 S | P -1 | 9.119; 10.382; 15.374 105.468; 95.318; 100.648 | 1363.1 | Cai, Minmin; Gao, Zhiqiang; Zhou, Xinhui; Wang, Xupeng; Chen, Shufen; Zhao, Yuezhi; Qian, Yan; Shi, Naien; Mi, Baoxiu; Xie, Linghai; Huang, Wei A small change in molecular structure, a big difference in the AIEE mechanism. Physical chemistry chemical physics : PCCP, 2012, 14, 5289-5296 |
7207677 | CIF | C23 H26 B F2 N5 | P 1 21 1 | 7.4253; 18.6837; 7.9579 90; 96.325; 90 | 1097.3 | Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W. Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad. Physical chemistry chemical physics : PCCP, 2012, 14, 4447-4456 |
7207678 | CIF | C39 H36 B F2 N5 | P 1 21/n 1 | 11.893; 15.14; 17.8155 90; 93.888; 90 | 3200.48 | Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W. Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad. Physical chemistry chemical physics : PCCP, 2012, 14, 4447-4456 |
7207679 | CIF | C38 H34 Fe2 N16 O2 S4 | P 1 21/n 1 | 15.67; 8.175; 18.648 90; 110.21; 90 | 2242 | Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor High-pressure spin-crossover in a dinuclear Fe(ii) complex. Physical chemistry chemical physics : PCCP, 2012, 14, 5265-5271 |
7207680 | CIF | C38 H34 Fe2 N16 O2 S4 | P 1 21/n 1 | 15.409; 8.078; 18.56 90; 110.54; 90 | 2163 | Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor High-pressure spin-crossover in a dinuclear Fe(ii) complex. Physical chemistry chemical physics : PCCP, 2012, 14, 5265-5271 |
7207681 | CIF | C38 H34 Fe2 N16 O2 S4 | P 1 21/n 1 | 15.186; 7.967; 18.57 90; 111.53; 90 | 2090 | Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor High-pressure spin-crossover in a dinuclear Fe(ii) complex. Physical chemistry chemical physics : PCCP, 2012, 14, 5265-5271 |
7207682 | CIF | C38 H34 Fe2 N16 O2 S4 | P 1 21/n 1 | 14.925; 7.861; 18.28 90; 111.02; 90 | 2002 | Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor High-pressure spin-crossover in a dinuclear Fe(ii) complex. Physical chemistry chemical physics : PCCP, 2012, 14, 5265-5271 |
7207683 | CIF | C38 H34 Fe2 N16 O2 S4 | P 1 21/n 1 | 14.849; 7.823; 18.233 90; 111.47; 90 | 1971 | Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor High-pressure spin-crossover in a dinuclear Fe(ii) complex. Physical chemistry chemical physics : PCCP, 2012, 14, 5265-5271 |
7207684 | CIF | C38 H34 Fe2 N16 O2 S4 | P 1 21/n 1 | 14.8; 7.69; 18.15 91; 112; 89.4 | 1915 | Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor High-pressure spin-crossover in a dinuclear Fe(ii) complex. Physical chemistry chemical physics : PCCP, 2012, 14, 5265-5271 |
7207685 | CIF | C56 H42 N4 O4 | P -1 | 10.544; 15.291; 15.387 64.648; 74.579; 83.447 | 2161.2 | Hatano, Sayaka; Abe, Jiro A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer. Physical chemistry chemical physics : PCCP, 2012, 14, 5855-5860 |
7207686 | CIF | C52 H34 N4 O2 | P -1 | 10.462; 10.806; 17.637 86.158; 74.173; 73.868 | 1843 | Hatano, Sayaka; Abe, Jiro A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer. Physical chemistry chemical physics : PCCP, 2012, 14, 5855-5860 |
7207687 | CIF | C15 H28 N4 O5 Si | R -3 :H | 35.463; 35.463; 7.8005 90; 90; 120 | 8495.8 | Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane. Physical chemistry chemical physics : PCCP, 2012, 14, 5672-5679 |
7207688 | CIF | C15 H28 N4 O5 Si | R -3 :H | 35.463; 35.463; 7.8005 90; 90; 120 | 8495.8 | Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane. Physical chemistry chemical physics : PCCP, 2012, 14, 5672-5679 |
7207689 | CIF | C9 H34 N3 Na2 O18 P | P 1 | 7.3224; 10.0224; 16.631 102.112; 92.853; 91.309 | 1191.2 | Perras, Frédéric A; Korobkov, Ilia; Bryce, David L. (23)Na double-rotation NMR of sodium nucleotides leads to the discovery of a new dCMP hendecahydrate. Physical chemistry chemical physics : PCCP, 2012, 14, 4677-4681 |
7207888 | CIF | C14 H9 N S2 | P 1 21/c 1 | 9.9552; 14.2894; 8.1057 90; 101.783; 90 | 1128.8 | Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C. Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit. Physical chemistry chemical physics : PCCP, 2012, 14, 6101-6111 |
7207889 | CIF | C22 H13 N S4 | P n a 21 | 10.8666; 22.8858; 7.4246 90; 90; 90 | 1846.43 | Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C. Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit. Physical chemistry chemical physics : PCCP, 2012, 14, 6101-6111 |
7207890 | CIF | C16 H17 Br2 N O S2 | P 1 21/c 1 | 8.9068; 21.4647; 9.5892 90; 108.726; 90 | 1736.2 | Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C. Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit. Physical chemistry chemical physics : PCCP, 2012, 14, 6101-6111 |
7208022 | CIF | C10 H15 N3 O3 | P 1 21/c 1 | 5.728; 8.033; 24.575 90; 94.02; 90 | 1128 | Szemik-Hojniak, A; Wiśniewski, Lukasz; Deperasińska, Irena; Makarewicz, Artur; Jerzykiewicz, Lucjan; Puszko, Aniela; Erez, Yuval; Huppert, Dan The impact of solvent polarity on intramolecular proton and electron transfer in 2-alkylamino-4-nitro-5-methyl pyridine N-oxides. Physical chemistry chemical physics : PCCP, 2012, 14, 8147-8159 |
7208126 | CIF | C12 H10 F3 N3 | P 1 21/n 1 | 11.5553; 8.1262; 13.2771 90; 113.978; 90 | 1139.14 | Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state. Physical chemistry chemical physics : PCCP, 2012, 14, 9006-9015 |
7208127 | CIF | C11 H8 F3 N3 | P 1 21/c 1 | 7.6053; 16.5396; 8.8177 90; 113.508; 90 | 1017.1 | Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state. Physical chemistry chemical physics : PCCP, 2012, 14, 9006-9015 |
7208128 | CIF | C11 H6 F3 N3 | P 1 21/n 1 | 14.0909; 4.8932; 14.1826 90; 96.014; 90 | 972.5 | Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state. Physical chemistry chemical physics : PCCP, 2012, 14, 9006-9015 |
7208129 | CIF | C9 H6 F3 N3 | C 1 2/c 1 | 22.7575; 4.3553; 17.981 90; 94.239; 90 | 1777.3 | Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state. Physical chemistry chemical physics : PCCP, 2012, 14, 9006-9015 |
7208407 | CIF | C21 H26 N5 O14 Sm Zn | P 21 21 21 | 8.8341; 17.4965; 17.9724 90; 90; 90 | 2777.92 | Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand. Physical chemistry chemical physics : PCCP, 2012, 14, 11448-11456 |
7208408 | CIF | C21 H28 N5 O15 Tb Zn | P -1 | 8.895; 13.2908; 13.3864 83.147; 71.607; 73.388 | 1438.3 | Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand. Physical chemistry chemical physics : PCCP, 2012, 14, 11448-11456 |
7208409 | CIF | C21 H28 Gd N5 O15 Zn | P -1 | 8.9096; 13.3969; 13.3013 83.137; 73.461; 71.472 | 1442.35 | Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand. Physical chemistry chemical physics : PCCP, 2012, 14, 11448-11456 |
7208589 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.61998; 9.10428; 9.1904 91.9088; 116.676; 114.049 | 567.491 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208590 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.62043; 9.1067; 9.19145 91.9171; 116.674; 114.029 | 567.849 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208591 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.62156; 9.11162; 9.19374 91.9362; 116.669; 113.98 | 568.635 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208592 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.62366; 9.11968; 9.19716 91.9817; 116.649; 113.906 | 569.92 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208593 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.62499; 9.12773; 9.20087 92.0011; 116.639; 113.862 | 571.01 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208594 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.62739; 9.13846; 9.20609 92.0264; 116.621; 113.829 | 572.4 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208595 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.6293; 9.15077; 9.21274 92.0613; 116.601; 113.799 | 573.91 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208596 | CIF | C10 H11 Cl2 N O5 | P -1 | 8.66982; 9.21282; 9.26605 92.6113; 116.65; 113.456 | 583.72 | Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction. Physical chemistry chemical physics : PCCP, 2012, 14, 12347-12354 |
7208824 | CIF | C37 H22 O | P 1 21/n 1 | 9.993; 9.7316; 25.6891 90; 93.021; 90 | 2494.7 | Dong, Shou-Cheng; Gao, Chun-Hong; Zhang, Zhao-Hu; Jiang, Zuo-Quan; Lee, Shuit-Tong; Liao, Liang-Sheng New dibenzofuran/spirobifluorene hybrids as thermally stable host materials for efficient phosphorescent organic light-emitting diodes with low efficiency roll-off. Physical chemistry chemical physics : PCCP, 2012, 14, 14224-14228 |
7208825 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 14.992; 6.4333; 13.61 90; 107.306; 90 | 1253.2 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208826 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.74; 6.44; 13.54 90; 110.88; 90 | 630.6 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208827 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.77; 6.44; 13.6 90; 111.14; 90 | 634.7 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208828 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.7944; 6.4482; 13.655 90; 111.407; 90 | 638.95 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208829 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.79; 6.45; 13.66 90; 111.41; 90 | 639 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208830 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.82; 6.45; 13.71 90; 111.66; 90 | 642.7 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208831 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.84; 6.46; 13.77 90; 111.94; 90 | 646.9 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208832 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.87; 6.47; 13.83 90; 112.2; 90 | 652 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208833 | CIF | C4 H9 N2 O3 | P 1 21/c 1 | 7.8936; 6.4695; 13.8871 90; 112.474; 90 | 655.32 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208834 | CIF | C8 H18 N4 O6 | P 1 21/c 1 | 7.89; 6.47; 13.89 90; 112.47; 90 | 655.2 | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. Physical chemistry chemical physics : PCCP, 2012, 14, 13273-13283 |
7208835 | CIF | C15 H13 N O4 S6 | P 1 21/n 1 | 8.6319; 10.0114; 22.265 90; 96.953; 90 | 1909.9 | Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases. Physical chemistry chemical physics : PCCP, 2012, 14, 16229-16235 |
7208836 | CIF | C20 H16 N2 O4 S6 | P 1 21/a 1 | 17.14; 7.7891; 17.338 90; 102.363; 90 | 2261 | Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases. Physical chemistry chemical physics : PCCP, 2012, 14, 16229-16235 |
7208837 | CIF | C30 H24 N2 O8 S12 | P -1 | 10.6334; 13.2801; 13.5988 77.855; 78.677; 79.177 | 1819.2 | Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases. Physical chemistry chemical physics : PCCP, 2012, 14, 16229-16235 |
7208838 | CIF | C2 H8 N2 O3 | P 1 21/c 1 | 9.9045; 11.5287; 9.9746 90; 112.701; 90 | 1050.73 | Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids. Physical chemistry chemical physics : PCCP, 2012, 14, 16041-16046 |
7208839 | CIF | C2 H8 N2 O3 | P 1 21/c 1 | 9.8294; 11.4347; 9.8981 90; 113.007; 90 | 1024.02 | Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids. Physical chemistry chemical physics : PCCP, 2012, 14, 16041-16046 |
7208840 | CIF | C2 H8 N2 O3 | P 1 21/c 1 | 9.7872; 11.4041; 9.8847 90; 113.11; 90 | 1014.74 | Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids. Physical chemistry chemical physics : PCCP, 2012, 14, 16041-16046 |
7209199 | CIF | C38 H45 B F2 N2 | P 1 21/c 1 | 14.0557; 11.4779; 19.3737 90; 98.905; 90 | 3087.9 | Liao, Yuanyuan; Génot, Valérie; Méallet-Renault, Rachel; Vu, Thanh T.; Audibert, Jean-Frédéric; Lemaistre, Jean-Pierre; Clavier, Gilles; Retailleau, Pascal; Pansu, Robert B. Spectroscopy of BODIPY in solid phase: crystal and nanoparticles. Physical chemistry chemical physics : PCCP, 2013, 15, 3186-3195 |
7209839 | CIF | C14 H8 Fe2 O4 | P 1 21/n 1 | 12.6185; 6.6178; 15.435 90; 111.15; 90 | 1202.1 | Hou, Zongrui; Nguyen, Son C; Lomont, Justin P; Harris, Charles B; Vinokurov, Nikolai; Vollhardt, K Peter C Switching from Ru to Fe: picosecond IR spectroscopic investigation of the potential of the (fulvalene)tetracarbonyldiiron frame for molecular solar-thermal storage. Physical chemistry chemical physics : PCCP, 2013, 15, 7466-7469 |
7210448 | CIF | C13 H8 N2 Na O6 S | P b c a | 11.116; 5.81; 46.919 90; 90; 90 | 3030.21 | Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites. Physical chemistry chemical physics : PCCP, 2013, 15, 13418-13433 |
7210449 | CIF | C15 H20 N3 Na O3 S | P 1 21/c 1 | 15.4283; 9.8446; 12.3063 90; 109.738; 90 | 1759.33 | Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites. Physical chemistry chemical physics : PCCP, 2013, 15, 13418-13433 |
7210620 | CIF | C28 H16 F6 P S4 | P -4 21 c | 13.4896; 13.4896; 6.7343 90; 90; 90 | 1225.4 | Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene. Physical chemistry chemical physics : PCCP, 2013, 15, 17818-17822 |
7210621 | CIF | C28 H16 F6 P S4 | P -4 21 c | 13.407; 13.407; 6.638 90; 90; 90 | 1193.2 | Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene. Physical chemistry chemical physics : PCCP, 2013, 15, 17818-17822 |
7210622 | CIF | C73 H10 N4 O S2 | P -1 | 10.118; 13.083; 16.308 79.427; 89.959; 69.619 | 1984.6 | Yang, Pingao; Chen, Shan; Liu, Yu; Xiao, Zuo; Ding, Liming A pyridine-functionalized pyrazolinofullerene used as a buffer layer in polymer solar cells. Physical chemistry chemical physics : PCCP, 2013, 15, 17076-17078 |
7210663 | CIF | C22 H23 N O4 | P -1 | 9.931; 10.078; 19.577 99.024; 93.008; 103.845 | 1870.6 | Coluccini, Carmine; Sharma, Arvind K.; Caricato, Marco; Sironi, Angelo; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Botta, Chiara; Forni, Alessandra; Pasini, Dario Switching of emissive and NLO properties in push-pull chromophores with crescent PPV-like structures. Physical chemistry chemical physics : PCCP, 2013, 15, 1666-1674 |
7210664 | CIF | C42 H37 N2 O6 | P 1 21/c 1 | 10.8756; 16.1912; 20.1235 90; 94.485; 90 | 3532.7 | Kamino, Shinichiro; Muranaka, Atsuya; Murakami, Miho; Tatsumi, Asana; Nagaoka, Noriyuki; Shirasaki, Yoshinao; Watanabe, Keiko; Yoshida, Kengo; Horigome, Jun; Komeda, Seiji; Uchiyama, Masanobu; Enomoto, Shuichi A red-emissive aminobenzopyrano-xanthene dye: elucidation of fluorescence emission mechanisms in solution and in the aggregate state. Physical chemistry chemical physics : PCCP, 2013, 15, 2131-2140 |
7210665 | CIF | C24 H22 Cu2 F6 N4 O10 S2 | P -1 | 8.3587; 11.358; 16.6543 71.237; 81.473; 86.107 | 1480.21 | Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975 |
7210666 | CIF | C25 H28 Cl2 Cu2 N4 O12 | P -1 | 8.0321; 11.1208; 16.9976 87.467; 88.341; 79.509 | 1491.11 | Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975 |
7210667 | CIF | C26 H30 Cl2 Cu2 N4 O12 | P -1 | 8.4364; 11.008; 17.0555 94.232; 92.777; 95.28 | 1570.45 | Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975 |
7210668 | CIF | C26 H30 Cl2 Cu2 N4 O12 | P 1 21/n 1 | 8.2136; 16.5961; 22.9861 90; 95.828; 90 | 3117.1 | Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975 |
7210669 | CIF | C29 H35 Cl2 Cu2 N4 O12 | P -1 | 8.66; 12.712; 16.826 71.42; 89.94; 75.56 | 1694.1 | Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975 |
7210670 | CIF | C28 H30 Cu2 F6 N4 O10 S2 | P 1 21/n 1 | 9.1312; 17.4262; 22.0653 90; 90.562; 90 | 3510.9 | Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975 |
7210671 | CIF | C29 H32 Cu2 F6 N4 O10 S2 | P -1 | 9.1519; 12.255; 16.5318 104.155; 92.966; 97.551 | 1775.5 | Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals. Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975 |
7211270 | CIF | C20 H19 B F24 N2 O4 | P 1 21 1 | 8.9539; 37.2276; 9.1021 90; 90.1219; 90 | 3034.02 | Beichel, Witali; Yu, Yang; Dlubek, Günter; Krause-Rehberg, Reinhard; Pionteck, Jürgen; Pfefferkorn, Dirk; Bulut, Safak; Bejan, Dana; Friedrich, Christian; Krossing, Ingo Free volume in ionic liquids: a connection of experimentally accessible observables from PALS and PVT experiments with the molecular structure from XRD data. Physical chemistry chemical physics : PCCP, 2013, 15, 8821-8830 |
7211271 | CIF | C22 H36 Br I12 N | I 4/m m m | 16.0167; 16.0167; 17.0905 90; 90; 90 | 4384.3 | Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation. Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328 |
7211272 | CIF | C22 H36 Cl I12 N | I 4/m m m | 15.9134; 15.9134; 17.0463 90; 90; 90 | 4316.7 | Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation. Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328 |
7211273 | CIF | C18 H36 I5 N | P -1 | 9.003; 9.062; 19.036 81.642; 80.716; 64.652 | 1380.1 | Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation. Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328 |
7211274 | CIF | C2 I4 | P 1 21/c 1 | 14.979; 4.3028; 12.748 90; 108.508; 90 | 779.1 | Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation. Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328 |
7211275 | CIF | C18 H36 Br I4 N | P -1 | 13.4297; 14.0614; 15.1348 98.12; 101.36; 106.241 | 2631.1 | Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation. Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328 |
7211276 | CIF | C148 H128 Au8 Cl8 N2 O6 P8 | P -1 | 16.8008; 17.0945; 28.2942 83.338; 84.698; 62.656 | 7162.4 | Anderson, David P.; Alvino, Jason F.; Gentleman, Alexander; Qahtani, Hassan Al; Thomsen, Lars; Polson, Matthew I. J.; Metha, Gregory F.; Golovko, Vladimir B.; Andersson, Gunther G. Chemically-synthesised, atomically-precise gold clusters deposited and activated on titania. Physical chemistry chemical physics : PCCP, 2013, 15, 3917-3929 |
7211277 | CIF | C289 H242 Au22 Cl8 P16 | P 1 21/c 1 | 22.5484; 18.1152; 34.6185 90; 95.997; 90 | 14063.2 | Anderson, David P.; Alvino, Jason F.; Gentleman, Alexander; Qahtani, Hassan Al; Thomsen, Lars; Polson, Matthew I. J.; Metha, Gregory F.; Golovko, Vladimir B.; Andersson, Gunther G. Chemically-synthesised, atomically-precise gold clusters deposited and activated on titania. Physical chemistry chemical physics : PCCP, 2013, 15, 3917-3929 |
7211278 | CIF | C22 H30 N3 Ni S4 | C 1 2/c 1 | 19.838; 8.085; 17.795 90; 120.77; 90 | 2452.4 | Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system. Physical chemistry chemical physics : PCCP, 2013, 15, 4016-4023 |
7211279 | CIF | C14 H14 Cl N2 Ni O5 S4 | P -1 | 7.696; 9.276; 14.063 83.413; 83.083; 70.712 | 937.7 | Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system. Physical chemistry chemical physics : PCCP, 2013, 15, 4016-4023 |
7211280 | CIF | C27 H33 N4 Ni O5 S5 | P 1 21 1 | 9.049; 11.691; 14.982 90; 96.088; 90 | 1576 | Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system. Physical chemistry chemical physics : PCCP, 2013, 15, 4016-4023 |
7211281 | CIF | C96 H72 N4 Na2 O12 | P -1 | 12.897; 17.499; 17.785 85.433; 69.071; 70.433 | 3528.8 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N. Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions. Physical chemistry chemical physics : PCCP, 2013, 15, 9136-9144 |
7211282 | CIF | C141 H77 Cl2 N5 Na2 O12 | C 1 c 1 | 26.826; 16.3245; 24.427 90; 93.108; 90 | 10681.4 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N. Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions. Physical chemistry chemical physics : PCCP, 2013, 15, 9136-9144 |
7211283 | CIF | C144 H68 Cl4 N2 P4 | P 1 21/c 1 | 11.9324; 23.1418; 17.7613 90; 99.424; 90 | 4838.4 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N. Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions. Physical chemistry chemical physics : PCCP, 2013, 15, 9136-9144 |
7211284 | CIF | C86 H42 Cl4 N4 | C 1 2/c 1 | 29.656; 13.5007; 14.8007 90; 113.549; 90 | 5432.3 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N. Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions. Physical chemistry chemical physics : PCCP, 2013, 15, 9136-9144 |
7211285 | CIF | C51 H44 B Cl6 F2 N5 S | P -1 | 12.8751; 15.0096; 15.4142 113.342; 107.797; 99.46 | 2461.4 | Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W. Tuning the Förster overlap integral: energy transfer over 20 Ångstroms from a pyrene-based donor to borondipyrromethene (Bodipy). Physical chemistry chemical physics : PCCP, 2013, 15, 9854-9861 |
7211286 | CIF | C4 H9 O3 Re S | P 1 21 1 | 5.7787; 17.0131; 7.9775 90; 90.043; 90 | 784.3 | Saleh, Nidal; Zrig, Samia; Roisnel, Thierry; Guy, Laure; Bast, Radovan; Saue, Trond; Darquié, Benoît; Crassous, Jeanne A chiral rhenium complex with predicted high parity violation effects: synthesis, stereochemical characterization by VCD spectroscopy and quantum chemical calculations. Physical chemistry chemical physics : PCCP, 2013, 15, 10952-10959 |
7211287 | CIF | C39 H24 Bi N3 S6 | P 1 21/n 1 | 16.95; 9.6195; 20.795 90; 93.618; 90 | 3383.9 | Liu, Gao-Yan; Xu, Ling-Yun; Zhou, Feng; Zhang, Yong; Li, Hua; Xu, Qing Feng; Lu, Jian Mei Dynamic random access memory devices based on bismuth sulfide nanoplates prepared from a single source precursor. Physical chemistry chemical physics : PCCP, 2013, 15, 11554-11558 |
7211288 | CIF | F1.159 H0.841 Mn O0.841 | P n n 2 | 4.7127; 5.203; 3.2439 90; 90; 90 | 79.54 | Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Avdeev, Maxim; Liu, Samuel; Ling, Chris D. Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF(2-x)(OH)x (x ~ 0.8). Physical chemistry chemical physics : PCCP, 2013, 15, 13061-13069 |
7211289 | CIF | C25 H24 N2 | P 1 21/c 1 | 9.692; 19.705; 21.494 90; 100.178; 90 | 4040.3 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211290 | CIF | C25 H24 N2 | P 1 21/c 1 | 36.809; 12.205; 8.9185 90; 95.551; 90 | 3987.9 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211291 | CIF | C50 H46 N4 | P 1 21/n 1 | 12.6166; 12.1515; 26.519 90; 98.306; 90 | 4023 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211292 | CIF | C50 H46 N4 O2 | P 1 21/n 1 | 8.8877; 23.4338; 10.4997 90; 114.417; 90 | 1991.21 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211293 | CIF | C50 H46 N4 O2 | C 1 2/c 1 | 18.7885; 10.0808; 21.5264 90; 102.418; 90 | 3981.78 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211294 | CIF | C50 H46 N4 O2 | I 1 2/a 1 | 16.1305; 15.4759; 16.6219 90; 94.267; 90 | 4137.9 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211295 | CIF | C50 H46 N4 O2 | P 1 21/c 1 | 16.0313; 30.9627; 16.5171 90; 93.792; 90 | 8180.7 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211296 | CIF | C50 H46 N4 | P -1 | 12.1735; 12.2821; 15.1686 111.605; 101.149; 98.891 | 2004.46 | Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers. Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853 |
7211297 | CIF | C27 H15 Cl3 N4 O2 S | P -1 | 7.4931; 10.855; 15.27 86.57; 88.5; 79.38 | 1218.4 | Chen, Songhua; Qin, Zhihong; Liu, Taifeng; Wu, Xingzhi; Li, Yongjun; Liu, Huibiao; Song, Yinglin; Li, Yuliang Aggregation-induced emission on benzothiadiazole dyads with large third-order optical nonlinearity. Physical chemistry chemical physics : PCCP, 2013, 15, 12660-12666 |
7211298 | CIF | B2 H19.69 Mg N5.85 | P -3 1 c | 13.8385; 13.8385; 7.8284 90; 90; 120 | 1298.32 | He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation. Physical chemistry chemical physics : PCCP, 2013, 15, 10487-10493 |
7211299 | CIF | B H6 Li N | P 21 21 21 | 7.693; 11.9132; 6.8954 90; 90; 90 | 631.95 | He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation. Physical chemistry chemical physics : PCCP, 2013, 15, 10487-10493 |
7211300 | CIF | B3 H16 Li3 N2 | P 1 21 1 | 7.8984; 7.0663; 7.4985 90; 93.339; 90 | 417.8 | He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation. Physical chemistry chemical physics : PCCP, 2013, 15, 10487-10493 |
7211301 | CIF | C24 H18 N4 O3 | P 1 2/c 1 | 27.6303; 4.10757; 19.1097 90; 110.163; 90 | 2035.91 | Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties. Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023 |
7211302 | CIF | C26 H22 N4 O2 | P 1 21/n 1 | 4.3137; 9.9807; 25.5817 90; 94.618; 90 | 1097.81 | Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties. Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023 |
7211303 | CIF | C25 H20 N4 O2 | P 1 2/c 1 | 27.4458; 4.3843; 19.1157 90; 110.267; 90 | 2157.8 | Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties. Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023 |
7211304 | CIF | C12 H9 N2 O | P -1 | 4.1838; 9.5677; 12.2486 96.676; 91.076; 93.139 | 486.09 | Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties. Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023 |
7211305 | CIF | C35 H51 Ca N5 O19 S3 | P -1 | 9.9974; 13.0768; 18.1443 98.349; 94.887; 111.453 | 2159.6 | Spies, Christian; Finkler, Björn; Acar, Nursel; Jung, Gregor Solvatochromism of pyranine-derived photoacids. Physical chemistry chemical physics : PCCP, 2013, 15, 19893-19905 |
7211306 | CIF | C8 H12 Ag N5 O3 | P -1 | 6.2877; 7.7823; 12.5635 88.036; 89.839; 76.687 | 597.89 | Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan Room-temperature silver-containing liquid metal salts with nitrate anions. Physical chemistry chemical physics : PCCP, 2013, 15, 18934-18943 |
7211307 | CIF | C14 H24 Ag N5 O3 | P 1 21/c 1 | 16.434; 7.8736; 13.8845 90; 106.748; 90 | 1720.4 | Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan Room-temperature silver-containing liquid metal salts with nitrate anions. Physical chemistry chemical physics : PCCP, 2013, 15, 18934-18943 |
7211308 | CIF | C30 H60 Ag N5 O5 | P -1 | 4.5579; 8.222; 23.099 89.274; 87.415; 78.188 | 846.44 | Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan Room-temperature silver-containing liquid metal salts with nitrate anions. Physical chemistry chemical physics : PCCP, 2013, 15, 18934-18943 |
7211309 | CIF | C20 H19 Cl2 N3 O | F d d 2 | 29.305; 35.039; 7.0828 90; 90; 90 | 7272.7 | Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona Tuning solid-state blue and red luminescence by the formation of solvate crystals. Physical chemistry chemical physics : PCCP, 2013, 15, 19845-19852 |
7211310 | CIF | C26 H18 Cl6 N2 O2 | P -1 | 5.6826; 10.3721; 12.1384 70.264; 89.299; 82.447 | 667.18 | Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona Tuning solid-state blue and red luminescence by the formation of solvate crystals. Physical chemistry chemical physics : PCCP, 2013, 15, 19845-19852 |
7211490 | CIF | C14 H9 N2 P S2 | P b c a | 14.5748; 7.2463; 24.444 90; 90; 90 | 2581.6 | Hey, Jakob; Leusser, Dirk; Kratzert, Daniel; Fliegl, Heike; Dieterich, Johannes M.; Mata, Ricardo A.; Stalke, Dietmar Heteroaromaticity approached by charge density investigations and electronic structure calculations. Physical chemistry chemical physics : PCCP, 2013, 15, 20600-20610 |
7211859 | CIF | C57.5 H64.25 F12 N9.25 O0.25 P2 Ru | P -1 | 16.6339; 17.8896; 23.0113 99.969; 102.875; 112.505 | 5907.8 | Kuhnt, Christian; Karnahl, Michael; Tschierlei, Stefanie; Griebenow, Kristin; Schmitt, Michael; Schäfer, Bernhard; Krieck, Sven; Görls, Helmar; Rau, Sven; Dietzek, Benjamin; Popp, Jürgen Substitution-controlled ultrafast excited-state processes in Ru-dppz-derivatives. Physical chemistry chemical physics : PCCP, 2010, 12, 1357-1368 |
7211896 | CIF | C13 H14 N2 | P 21 21 21 | 5.9003; 9.5998; 19.1346 90; 90; 90 | 1083.82 | Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline. Physical chemistry chemical physics : PCCP, 2010, 12, 3824-3833 |
7211897 | CIF | C13 H16 Cl2 N2 | P 1 2/n 1 | 6.0828; 4.5346; 24.586 90; 90.694; 90 | 678.1 | Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline. Physical chemistry chemical physics : PCCP, 2010, 12, 3824-3833 |
7211898 | CIF | C39 H46 Cl2 N6 O | C 1 2 1 | 25.6208; 5.7067; 13.7826 90; 118.962; 90 | 1763.14 | Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline. Physical chemistry chemical physics : PCCP, 2010, 12, 3824-3833 |
7212128 | CIF | C9 H17 I N2 | P b c a | 13.0165; 9.4458; 18.5173 90; 90; 90 | 2276.73 | Cui, Yugang; Biondi, Ilaria; Chaubey, Manish; Yang, Xue; Fei, Zhaofu; Scopelliti, Rosario; Hartinger, Christian G.; Li, Yongdan; Chiappe, Cinzia; Dyson, Paul J. Nitrile-functionalized pyrrolidinium ionic liquids as solvents for cross-coupling reactions involving in situ generated nanoparticle catalyst reservoirs. Physical chemistry chemical physics : PCCP, 2010, 12, 1834-1841 |
7212135 | CIF | C19 H20 N8 | P 1 21/c 1 | 5.8827; 17.349; 18.563 90; 103.9; 90 | 1839 | Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan A europium complex with enhanced long-wavelength sensitized luminescent properties. Physical chemistry chemical physics : PCCP, 2010, 12, 3195-3202 |
7212136 | CIF | C23 H28 N8 | P b c n | 16.807; 16.647; 7.6875 90; 90; 90 | 2150.9 | Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan A europium complex with enhanced long-wavelength sensitized luminescent properties. Physical chemistry chemical physics : PCCP, 2010, 12, 3195-3202 |
7212137 | CIF | C35 H43 B N2 Ni O2 | P 1 21/n 1 | 16.834; 12.107; 17.066 90; 114.63; 90 | 3161.8 | Bartosik, Joanna; Mudring, Anja-Verena [Ni(tmen)(acac)][B(Ph)4] a probe for the anion basicity of ionic liquids. Physical chemistry chemical physics : PCCP, 2010, 12, 4005-4011 |
7212147 | CIF | C9 H20 Cl4 Fe N | P 63 m c | 8.223; 8.223; 13.03 90; 90; 120 | 763.02 | Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W Ionic liquids and solids with paramagnetic anions. Physical chemistry chemical physics : PCCP, 2010, 12, 8919-8925 |
7212148 | CIF | C13 H30 Cl4 Fe N | P c a 21 | 15.366; 14.861; 17.361 90; 90; 90 | 3964.5 | Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W Ionic liquids and solids with paramagnetic anions. Physical chemistry chemical physics : PCCP, 2010, 12, 8919-8925 |
7212165 | CIF | C20 H17 F6 N3 O4 S2 | P 1 21/c 1 | 10.807; 15.6746; 13.6445 90; 90.318; 90 | 2311.3 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J. Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids. Physical chemistry chemical physics : PCCP, 2010, 12, 1842-1853 |
7212166 | CIF | C21 H19 F6 N3 O4 S2 | P 1 21/c 1 | 10.8851; 15.9998; 13.8814 90; 91.766; 90 | 2416.4 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J. Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids. Physical chemistry chemical physics : PCCP, 2010, 12, 1842-1853 |
7212175 | CIF | C12 H9 Cl N4 | P 1 21/n 1 | 4.9073; 24.24; 9.3569 90; 93.236; 90 | 1111.26 | Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects. Physical chemistry chemical physics : PCCP, 2010, 12, 5126-5139 |
7212176 | CIF | C12 H9 Cl N4 | P 1 21/n 1 | 14.719; 4.9706; 15.8872 90; 111.317; 90 | 1082.82 | Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects. Physical chemistry chemical physics : PCCP, 2010, 12, 5126-5139 |
7212177 | CIF | C12 H9 I N4 | P 1 21/n 1 | 15.2864; 4.9202; 16.7267 90; 114.466; 90 | 1145.09 | Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects. Physical chemistry chemical physics : PCCP, 2010, 12, 5126-5139 |
7212202 | CIF | C10 H23 Cl N2 O Si2 | P 1 21/c 1 | 15.1593; 8.54934; 12.6684 90; 103.13; 90 | 1598.93 | Niedermeyer, Heiko; Ab Rani, Mohd Azri; Lickiss, Paul D.; Hallett, Jason P.; Welton, Tom; White, Andrew J. P.; Hunt, Patricia A. Understanding siloxane functionalised ionic liquids. Physical chemistry chemical physics : PCCP, 2010, 12, 2018-2029 |
7212245 | CIF | O3 Sr Ti | P m -3 m | 3.905; 3.905; 3.905 90; 90; 90 | 59.547 | Longo, Valéria Moraes; das Graça Sampaio Costa, Maria; Zirpole Simões, Alexandre; Rosa, Ieda Lúcia Viana; Santos, Carlos Oliveira Paiva; Andrés, Juan; Longo, Elson; Varela, José Arana On the photoluminescence behavior of samarium-doped strontium titanate nanostructures under UV light. A structural and electronic understanding. Physical chemistry chemical physics : PCCP, 2010, 12, 7566-7579 |
7212280 | CIF | C23 H31 N O5 | P -1 | 9.051; 9.834; 12.765 74.69; 89.45; 76.56 | 1064.2 | Bica, Katharina; Rijksen, Christiaan; Nieuwenhuyzen, Mark; Rogers, Robin D. In search of pure liquid salt forms of aspirin: ionic liquid approaches with acetylsalicylic acid and salicylic acid. Physical chemistry chemical physics : PCCP, 2010, 12, 2011-2017 |
7212329 | CIF | C6 H12 I O Re S3 | P 21 21 21 | 8.9219; 10.0914; 13.6763 90; 90; 90 | 1231.34 | De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study. Physical chemistry chemical physics : PCCP, 2010, 12, 8792-8803 |
7212330 | CIF | C8 H17 O Re S4 | P 21 21 21 | 8.1147; 10.5897; 16.4388 90; 90; 90 | 1412.62 | De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study. Physical chemistry chemical physics : PCCP, 2010, 12, 8792-8803 |
7212331 | CIF | C8 H17 O Re S4 | P 1 21/n 1 | 8.1618; 16.1619; 10.9861 90; 102.115; 90 | 1416.9 | De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study. Physical chemistry chemical physics : PCCP, 2010, 12, 8792-8803 |
7212338 | CIF | C57 H54 Cl N4 O12 Rh | P -1 | 10.014; 17.88; 18.207 101.013; 97.413; 96.628 | 3140.2 | Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts. Physical chemistry chemical physics : PCCP, 2010, 12, 8968-8976 |
7212339 | CIF | C50 H42 Cl N4 O5 Rh | C 1 2/c 1 | 23.601; 9.222; 39.715 90; 91.825; 90 | 8640 | Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts. Physical chemistry chemical physics : PCCP, 2010, 12, 8968-8976 |
7212400 | CIF | C43 H34 N4 | P 1 21/a 1 | 16.5817; 11.9938; 17.3483 90; 100.137; 90 | 3396.33 | Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability. Physical chemistry chemical physics : PCCP, 2010, 12, 7772-7774 |
7212401 | CIF | C42 H34 N4 O2 | P 1 21/a 1 | 16.5256; 12.1737; 17.4298 90; 100.75; 90 | 3444.95 | Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability. Physical chemistry chemical physics : PCCP, 2010, 12, 7772-7774 |
7212497 | CIF | C11 H7 N S4 | P 1 21/a 1 | 11.767; 8.302; 12.991 90; 111.53; 90 | 1180.5 | Riobé, François; Avarvari, Narcis; Grosshans, Philippe; Sidorenkova, Helena; Berclaz, Théo; Geoffroy, Michel Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studies. Physical chemistry chemical physics : PCCP, 2010, 12, 9650-9660 |
7212614 | CIF | C4 H5 F O2 | P 1 21/n 1 | 5.2191; 10.1429; 9.1807 90; 98.605; 90 | 480.53 | Belova, Natalya V.; Oberhammer, Heinz; Zeng, Xiaoqing; Gerken, Michael; Willner, Helge; Berger, Raphael J. F.; Hayes, Stuart A.; Mitzel, Norbert W. The keto/enol tautomerism in acetoacetyl fluoride: properties, spectroscopy, and gas-phase and crystal structures of the enol form. Physical chemistry chemical physics : PCCP, 2010, 12, 11445-11453 |
7212697 | CIF | C15 H14 O | P 1 21/c 1 | 9.4756; 5.6597; 21.2859 90; 96.472; 90 | 1134.27 | Lima, Carlos F. R. A. C.; Sousa, Carlos A. D.; Rodriguez-Borges, José E; Melo, André; Gomes, Lígia R; Low, John N.; Santos, Luís M N B F The role of aromatic interactions in the structure and energetics of benzyl ketones. Physical chemistry chemical physics : PCCP, 2010, 12, 11228-11237 |
7212709 | CIF | C12 H26 N2 O4 | P 1 | 5.2357; 5.4251; 13.5733 87.416; 88.994; 69.431 | 360.593 | Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP, 2010, 12, 8466-8477 |
7212710 | CIF | C10 H22 N2 O4 S | P 1 21 1 | 9.8965; 4.6963; 16.1188 90; 106.989; 90 | 716.46 | Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP, 2010, 12, 8466-8477 |
7212711 | CIF | C10 H22 N2 O4 | P 1 | 5.1725; 5.3955; 12.3952 92.631; 94.747; 113.103 | 315.93 | Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP, 2010, 12, 8466-8477 |
7212713 | CIF | C22 H43 Mo12 N5 O40 P Zn4 | P b c a | 16.8676; 22.335; 40.007 90; 90; 90 | 15072 | Rodriguez Albelo, L. Marleny; Ruiz-Salvador, A Rabdel; Lewis, Dewi W.; Gómez, Ariel; Mialane, Pierre; Marrot, Jérome; Dolbecq, Anne; Sampieri, Alvaro; Mellot-Draznieks, Caroline Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach. Physical chemistry chemical physics : PCCP, 2010, 12, 8632-8639 |
7212737 | CIF | C43 H45 N O2 S | P -1 | 11.5674; 11.8696; 13.9863 106.21; 102.5; 94.14 | 1782.2 | Aguiar, Francisco A.; Campos, Rui; Wang, Changsheng; Jitchati, Rukkiat; Batsanov, Andrei S.; Bryce, Martin R.; Kataky, Ritu Comparative electrochemical and impedance studies of self-assembled rigid-rod molecular wires and alkanethiols on gold substrates. Physical chemistry chemical physics : PCCP, 2010, 12, 14804-14811 |
7212900 | CIF | C3 H7 N O3 | P 21 21 2 | 9.9244; 10.369; 4.038 90; 90; 90 | 415.53 | Dobrowolski, Jan Cz; Jamróz, Michał H; Kołos, Robert; Rode, Joanna E.; Cyrański, Michał K; Sadlej, Joanna IR low-temperature matrix, X-ray and ab initio study on L-isoserine conformations. Physical chemistry chemical physics : PCCP, 2010, 12, 10818-10830 |
7212901 | CIF | C14 H20 B F2 N O2 | P 1 21/n 1 | 6.6681; 21.4324; 9.898 90; 102.551; 90 | 1380.75 | Durka, Krzysztof; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof On the nature of the B...N interaction and the conformational flexibility of arylboronic azaesters. Physical chemistry chemical physics : PCCP, 2010, 12, 13126-13136 |
7212902 | CIF | C14 H20 B F2 N O2 | P 1 21/n 1 | 6.6681; 21.4324; 9.898 90; 102.551; 90 | 1380.75 | Durka, Krzysztof; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof On the nature of the B...N interaction and the conformational flexibility of arylboronic azaesters. Physical chemistry chemical physics : PCCP, 2010, 12, 13126-13136 |
7212903 | CIF | C19 H23 Cl N2 O | P 21 21 21 | 8.9347; 12.25; 16.332 90; 90; 90 | 1787.5 | Clayden, Jonathan; Hennecke, Ulrich; Vincent, Mark A.; Hillier, Ian H.; Helliwell, Madeleine The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl ureas. Physical chemistry chemical physics : PCCP, 2010, 12, 15056-15064 |
7212904 | CIF | C20 H17 N S4 | P 1 21/c 1 | 17.489; 7.8855; 14.54 90; 108.37; 90 | 1903 | Mo, Hong; Radke, Karla R.; Ogawa, Katsu; Heth, Christopher L.; Erpelding, Brett T.; Rasmussen, Seth C. Solution and solid-state properties of highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligothiophenes. Physical chemistry chemical physics : PCCP, 2010, 12, 14585-14595 |
7212905 | CIF | Ca9.8 Cd0.2 O26 P6 | P 63/m | 9.432573; 9.432573; 6.883337 90; 90; 120 | 530.38 | Terra, J.; Gonzalez, G. B.; Rossi, A. M.; Eon, J. G.; Ellis, D. E. Theoretical and experimental studies of substitution of cadmium into hydroxyapatite. Physical chemistry chemical physics : PCCP, 2010, 12, 15490-15500 |
7212906 | CIF | Ca8.77 Cd1.23 O26 P6 | P 63/m | 9.422709; 9.422709; 6.865845 90; 90; 120 | 527.93 | Terra, J.; Gonzalez, G. B.; Rossi, A. M.; Eon, J. G.; Ellis, D. E. Theoretical and experimental studies of substitution of cadmium into hydroxyapatite. Physical chemistry chemical physics : PCCP, 2010, 12, 15490-15500 |
7214129 | CIF | C21 H29 F6 N2 P S | P 1 21 1 | 8.459; 15.354; 8.964 90; 94.69; 90 | 1160.3 | Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system. Physical chemistry chemical physics : PCCP, 2014, 16, 1208-1226 |
7214130 | CIF | C19 H25 Br N2 S | P 21 21 21 | 12.0601; 12.5854; 12.9527 90; 90; 90 | 1965.98 | Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system. Physical chemistry chemical physics : PCCP, 2014, 16, 1208-1226 |
7214131 | CIF | C40 H60 N2 O6 | P -1 | 5.097; 10.746; 16.604 96.374; 94.825; 97.872 | 890.7 | Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J. Structure-property relationship of anilino-squaraines in organic solar cells. Physical chemistry chemical physics : PCCP, 2014, 16, 1067-1077 |
7214132 | CIF | C30 H40 N2 O6 | P 1 21/c 1 | 5.6706; 16.8421; 14.3536 90; 97.943; 90 | 1357.69 | Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J. Structure-property relationship of anilino-squaraines in organic solar cells. Physical chemistry chemical physics : PCCP, 2014, 16, 1067-1077 |
7214133 | CIF | C13 H11 N3 O6 | C 1 2/c 1 | 29.713; 4.9822; 25.526 90; 136.84; 90 | 2584.8 | Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M. Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 1150-1160 |
7214134 | CIF | C13 H12 N2 O6 | P n a 21 | 12.8093; 13.1563; 7.4708 90; 90; 90 | 1259 | Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M. Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 1150-1160 |
7214135 | CIF | C47 H18 Co F15 N6 | P -1 | 13.638; 16.772; 20.382 71.783; 80.567; 87.282 | 4369 | Lei, Haitao; Han, Ali; Li, Fengwang; Zhang, Meining; Han, Yongzhen; Du, Pingwu; Lai, Wenzhen; Cao, Rui Electrochemical, spectroscopic and theoretical studies of a simple bifunctional cobalt corrole catalyst for oxygen evolution and hydrogen production. Physical chemistry chemical physics : PCCP, 2014, 16, 1883-1893 |
7214136 | CIF | C22 H18 N4 O | P 1 21 1 | 6.0346; 19.3933; 7.4728 90; 94.931; 90 | 871.31 | Bronner, Catherine; Wenger, Oliver S. Long-range proton-coupled electron transfer in phenol-Ru(2,2'-bipyrazine)3(2+) dyads. Physical chemistry chemical physics : PCCP, 2014, 16, 3617-3622 |
7214310 | CIF | C32 H52 Cl2 Co2 N10 O11 | P 1 21/n 1 | 8; 13.5322; 19.2803 90; 92.183; 90 | 2085.72 | Wakerley, David W.; Reisner, Erwin Development and understanding of cobaloxime activity through electrochemical molecular catalyst screening. Physical chemistry chemical physics : PCCP, 2014, 16, 5739-5746 |
7214311 | CIF | C11 H16 Br3 N3 O2 | P 1 21/n 1 | 5.8059; 19.4214; 13.5907 90; 96.284; 90 | 1523.26 | Rosokha, Sergiy V.; Vinakos, Michael K. Halogen bond-assisted electron transfer reactions of aliphatic bromosubstituted electrophiles. Physical chemistry chemical physics : PCCP, 2014, 16, 1809-1813 |
7214450 | CIF | C10 H20 Fe N8 O10 | P -1 | 9.1747; 9.2567; 10.6372 84.289; 84.409; 79.246 | 880.24 | Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP, 2014, 16, 9086-9095 |
7214451 | CIF | C10 H20 Fe N8 O10 | P -1 | 9.1722; 9.5972; 10.5527 84.837; 83.709; 80.095 | 907.17 | Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP, 2014, 16, 9086-9095 |
7214452 | CIF | C10 H20 Fe N8 O10 | P -1 | 9.1837; 9.5706; 10.6018 84.936; 83.959; 79.849 | 909.83 | Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP, 2014, 16, 9086-9095 |
7214453 | CIF | C10 H20 Fe N8 O10 | P -1 | 9.2092; 9.2785; 10.6971 84.406; 84.601; 79.076 | 890.53 | Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach. Physical chemistry chemical physics : PCCP, 2014, 16, 9086-9095 |
7214454 | CIF | C15 H12 O S | P 1 21/c 1 | 12.4853; 7.2462; 13.1368 90; 98.118; 90 | 1176.59 | Pietrzak, Mariusz; Dobkowski, Jacek; Gorski, Alexandr; Gawinkowski, Sylwester; Kijak, Michał; Luboradzki, Roman; Hansen, Poul Erik; Waluk, Jacek Arresting consecutive steps of a photochromic reaction: studies of β-thioxoketones combining laser photolysis with NMR detection. Physical chemistry chemical physics : PCCP, 2014, 16, 9128-9137 |
7214455 | CIF | C16 H16 N4 | P -1 | 5.8977; 7.4177; 30.865 91.949; 92.578; 94.343 | 1344.1 | Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT. Physical chemistry chemical physics : PCCP, 2014, 16, 9064-9073 |
7214456 | CIF | C16 H16 N4 | P 1 21/n 1 | 5.7857; 16.921; 13.706 90; 98.453; 90 | 1327.2 | Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT. Physical chemistry chemical physics : PCCP, 2014, 16, 9064-9073 |
7215121 | CIF | C6 H10 K Li2 Mo N O11 | P 1 21/c 1 | 7.9807; 8.5886; 20.424 90; 96.724; 90 | 1390.3 | Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings. Physical chemistry chemical physics : PCCP, 2012, 14, 15579-15592 |
7215122 | CIF | C6 H10 Li2 Mo N O11 Rb | P 1 21/c 1 | 7.9395; 8.6813; 20.6799 90; 96.707; 90 | 1415.61 | Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings. Physical chemistry chemical physics : PCCP, 2012, 14, 15579-15592 |
7215123 | CIF | C12 H12 Cs2 Li4 Mo2 N2 O22 | P 1 2/c 1 | 14.0195; 13.7541; 7.7115 90; 102.829; 90 | 1449.9 | Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings. Physical chemistry chemical physics : PCCP, 2012, 14, 15579-15592 |
7215124 | CIF | C15 H10 O2 | P 1 21/n 1 | 3.834; 9.298; 28.774 90; 90.15; 90 | 1025.7 | Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid‒a combined crystallographic and spectroscopic study. Physical chemistry chemical physics : PCCP, 2012, 14, 10187-10195 |
7215125 | CIF | C15 H10 O2 | P 1 21/n 1 | 3.81; 9.29; 28.77 90; 90.51; 90 | 1018.3 | Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid‒a combined crystallographic and spectroscopic study. Physical chemistry chemical physics : PCCP, 2012, 14, 10187-10195 |
7215126 | CIF | C15 H10 O2 | P 1 21/n 1 | 3.879; 9.341; 28.998 90; 90.53; 90 | 1050.7 | Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid‒a combined crystallographic and spectroscopic study. Physical chemistry chemical physics : PCCP, 2012, 14, 10187-10195 |
7215127 | CIF | C13 H10 N2 O | P 1 21/c 1 | 16.8136; 4.719; 12.9222 90; 102.45; 90 | 1001.18 | Konoshima, Hayato; Nagao, Saori; Kiyota, Issui; Amimoto, Kiichi; Yamamoto, Norifumi; Sekine, Masahiko; Nakata, Munetaka; Furukawa, Kazuki; Sekiya, Hiroshi Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy. Physical chemistry chemical physics : PCCP, 2012, 14, 16448-16457 |
7215128 | CIF | C13 H10 N2 O | P 1 21 1 | 3.7658; 22.03; 5.801 90; 94.516; 90 | 479.8 | Konoshima, Hayato; Nagao, Saori; Kiyota, Issui; Amimoto, Kiichi; Yamamoto, Norifumi; Sekine, Masahiko; Nakata, Munetaka; Furukawa, Kazuki; Sekiya, Hiroshi Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy. Physical chemistry chemical physics : PCCP, 2012, 14, 16448-16457 |
7215190 | CIF | Ge Li10 P2 S12 | P 42/n m c :1 | 8.652; 8.652; 12.582 90; 90; 90 | 941.9 | Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V. Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12. Physical chemistry chemical physics : PCCP, 2013, 15, 11620-11622 |
7215191 | CIF | Ge Li10 P2 S12 | P 42/n m c :1 | 8.719; 8.719; 12.639 90; 90; 90 | 960.8 | Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V. Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12. Physical chemistry chemical physics : PCCP, 2013, 15, 11620-11622 |
7215229 | CIF | C56 H47 B F2 N4 O | P -1 | 11.0667; 13.6645; 16.468 73.484; 86.016; 72.07 | 2271.16 | Singh, Saumya; Venugopalan, Vijay; Krishnamoorthy, Kothandam Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility. Physical chemistry chemical physics : PCCP, 2014, 16, 13376-13382 |
7215274 | CIF | Fe2 La0.54 O6.64 Sr2.46 | I 4/m m m | 3.93012; 3.93012; 20.4479 90; 90; 90 | 315.835 | Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ). Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882 |
7215275 | CIF | Fe2 La0.54 O7 Sr2.46 | I 4/m m m | 3.87762; 3.87762; 20.2102 90; 90; 90 | 303.879 | Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ). Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882 |
7215276 | CIF | Fe2 La0.54 O6.74 Sr2.46 | I 4/m m m | 3.91937; 3.91937; 20.4121 90; 90; 90 | 313.56 | Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ). Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882 |
7215277 | CIF | Fe2 La0.54 O7 Sr2.46 | I 4/m m m | 3.89243; 3.89243; 20.3558 90; 90; 90 | 308.411 | Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ). Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882 |
7215278 | CIF | Fe2 La0.54 O6.94 Sr2.46 | I 4/m m m | 3.89879; 3.89879; 20.3609 90; 90; 90 | 309.497 | Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ). Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882 |
7215279 | CIF | Fe2 La0.54 O6.515 Sr2.46 | I 4/m m m | 3.94156; 3.94156; 20.4927 90; 90; 90 | 318.372 | Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ). Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882 |
7215280 | CIF | Fe2 La0.54 O6.82 Sr2.46 | I 4/m m m | 3.90758; 3.90758; 20.379 90; 90; 90 | 311.171 | Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ). Physical chemistry chemical physics : PCCP, 2014, 16, 10875-10882 |
7215448 | CIF | Al0.196 La3 Li6.06 O12 Zr2 | I a -3 d | 12.9727; 12.9727; 12.9727 90; 90; 90 | 2183.19 | Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen Structure and dynamics of the fast lithium ion conductor "Li7La3Zr2O12". Physical chemistry chemical physics : PCCP, 2011, 13, 19378-19392 |
7215467 | CIF | C17 H22 Cl N5 O5 | P -1 | 7.6033; 11.4827; 11.8705 83.186; 71.662; 80.423 | 967.59 | Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A. Systematic experimental charge density analysis of anion receptor complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958 |
7215468 | CIF | C19 H25 N5 O7 | P -1 | 7.797; 11.214; 12.211 91.753; 104.56; 95.232 | 1027.5 | Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A. Systematic experimental charge density analysis of anion receptor complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958 |
7215469 | CIF | C30 H32 F N9 O10 | P c c a | 35.929; 7.0153; 12.624 90; 90; 90 | 3181.9 | Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A. Systematic experimental charge density analysis of anion receptor complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958 |
7215470 | CIF | C17 H22 Cl N5 O5 | P n a 21 | 6.8211; 14.4139; 19.7918 90; 90; 90 | 1945.9 | Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A. Systematic experimental charge density analysis of anion receptor complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958 |
7215471 | CIF | C19 H23 N7 O11 | P -1 | 9.602; 10.807; 12.433 109.859; 96.598; 103.537 | 1152.7 | Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A. Systematic experimental charge density analysis of anion receptor complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 10943-10958 |
7215684 | CIF | Ca9.921 O26 P6 Sr0.079 | P 63/m | 9.434668; 9.434669; 6.8893 90; 90; 120 | 531.08 | Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta The structure of strontium-doped hydroxyapatite: an experimental and theoretical study. Physical chemistry chemical physics : PCCP, 2009, 11, 568-577 |
7215685 | CIF | Ca9.569 O26 P6 Sr0.431 | P 63/m | 9.452039; 9.452039; 6.904128 90; 90; 120 | 534.18 | Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta The structure of strontium-doped hydroxyapatite: an experimental and theoretical study. Physical chemistry chemical physics : PCCP, 2009, 11, 568-577 |
7215686 | CIF | Ca8.542 O26 P6 Sr1.458 | P 63/m | 9.48686; 9.48686; 6.941954 90; 90; 120 | 541.07 | Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta The structure of strontium-doped hydroxyapatite: an experimental and theoretical study. Physical chemistry chemical physics : PCCP, 2009, 11, 568-577 |
7215687 | CIF | Ca9.045 O26 P6 Sr0.955 | P 63/m | 9.470575; 9.470575; 6.92324 90; 90; 120 | 537.77 | Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta The structure of strontium-doped hydroxyapatite: an experimental and theoretical study. Physical chemistry chemical physics : PCCP, 2009, 11, 568-577 |
7215770 | CIF | C12 H11 F3 N6 | P -1 | 8.63283; 8.86281; 10.25772 87.4723; 78.8034; 66.0794 | 703.24 | Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław Lithium cation conducting TDI anion-based ionic liquids. Physical chemistry chemical physics : PCCP, 2014, 16, 11417-11425 |
7215771 | CIF | C19 H13 F6 Li N10 | P -1 | 8.28368; 11.45842; 12.57923 74.9663; 77.5238; 78.6965 | 1113.42 | Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław Lithium cation conducting TDI anion-based ionic liquids. Physical chemistry chemical physics : PCCP, 2014, 16, 11417-11425 |
7215772 | CIF | C20 H15 F6 Li N10 | P -1 | 8.4241; 11.66815; 12.85431 73.0547; 74.4505; 76.756 | 1148.67 | Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław Lithium cation conducting TDI anion-based ionic liquids. Physical chemistry chemical physics : PCCP, 2014, 16, 11417-11425 |
7215773 | CIF | C49 H56 B F2 I N4 O | P -1 | 12.0355; 12.7527; 14.7677 102.838; 90.637; 96.021 | 2196.38 | Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations. Physical chemistry chemical physics : PCCP, 2014, 16, 10187-10198 |
7215774 | CIF | C55 H69 B I N2 O5 | P -1 | 11.669; 15.533; 15.769 103.638; 101.205; 107.161 | 2544.5 | Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations. Physical chemistry chemical physics : PCCP, 2014, 16, 10187-10198 |
7216130 | CIF | C87 H36 N2 | P n m a | 18.429; 18.1729; 15.0366 90; 90; 90 | 5035.9 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216131 | CIF | C87 H36 N2 | P n m a | 18.4633; 18.1906; 15.0501 90; 90; 90 | 5054.7 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216132 | CIF | C87 H36 N2 | P n m a | 18.4939; 18.2041; 15.0446 90; 90; 90 | 5065 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216133 | CIF | C87 H36 N2 | P n m a | 18.5461; 18.2325; 15.0393 90; 90; 90 | 5085.4 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216134 | CIF | C87 H36 N2 | P n m a | 18.599; 18.265; 15.0367 90; 90; 90 | 5108.1 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216135 | CIF | C87 H36 N2 | P n m a | 18.6446; 18.2957; 15.0193 90; 90; 90 | 5123.3 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216136 | CIF | C87 H36 N2 | P n m a | 18.704; 18.303; 14.9839 90; 90; 90 | 5129.6 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216137 | CIF | C87 H36 N2 | P n m a | 18.7596; 18.3558; 14.9944 90; 90; 90 | 5163.3 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216138 | CIF | C87 H36 N2 | P n m a | 18.81; 18.4239; 15.008 90; 90; 90 | 5201.1 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216139 | CIF | C87 H36 N2 | P n m a | 18.833; 18.483; 14.978 90; 90; 90 | 5214 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216140 | CIF | C107 H50 Cl2 N2 | P -1 | 12.6739; 14.0712; 19.438 102.258; 97.661; 104.351 | 3217.9 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216141 | CIF | C101 H52 N2 | P 1 21/c 1 | 14.519; 19.3733; 22 90; 93.887; 90 | 6173.9 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216142 | CIF | C107 H50 Cl2 N2 | P -1 | 12.6739; 14.0712; 19.438 102.258; 97.661; 104.351 | 3217.9 | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. Physical chemistry chemical physics : PCCP, 2014, 16, 12980-12986 |
7216143 | CIF | C15 H18 La2 N6 O18 | C 1 c 1 | 15.8154; 8.8922; 18.4302 90; 98.393; 90 | 2564.15 | Rodrigues, Carime V.; Luz, Leonis L.; Dutra, José Diogo L; Junior, Severino A.; Malta, Oscar L.; Gatto, Claudia C.; Streit, Huayna C.; Freire, Ricardo O.; Wickleder, Claudia; Rodrigues, Marcelo Oliveira Unusual photoluminescence properties of the 3D mixed-lanthanide-organic frameworks induced by dimeric structures: a theoretical and experimental approach. Physical chemistry chemical physics : PCCP, 2014, 16, 14858-14866 |
7216144 | CIF | C13 H28 Br4 N4 | P 1 21/n 1 | 8.3581; 19.1124; 12.87 90; 98.448; 90 | 2033.6 | Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979 |
7216145 | CIF | C14 H28 Br4 N2 O | P 1 21/n 1 | 8.3579; 19.0038; 12.9329 90; 98.504; 90 | 2031.6 | Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979 |
7216146 | CIF | C27 H56 Br4 N4 S2 | P 1 21/n 1 | 7.8335; 36.215; 12.8318 90; 91.767; 90 | 3638.5 | Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979 |
7216147 | CIF | C14 H28 Br3 N3 O3 | P 1 21/n 1 | 8.3003; 18.9573; 12.948 90; 98.635; 90 | 2014.29 | Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979 |
7216148 | CIF | C28 H58 Br3 N5 O S2 | P 1 21/n 1 | 10.0945; 11.5019; 31.8838 90; 98.4293; 90 | 3661.9 | Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory Halogen bonding of electrophilic bromocarbons with pseudohalide anions. Physical chemistry chemical physics : PCCP, 2014, 16, 12968-12979 |
7216252 | CIF | C8 O48 Si24 | P 1 21/n 1 | 13.467; 20.219; 19.994 90; 90.088; 90 | 5444 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216253 | CIF | C7.1 H0 O48 Si24 | P 1 21/n 1 | 13.33; 20.04; 19.81 90; 89.97; 90 | 5292 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216254 | CIF | C4.4 H0 O48 Si24 | P 1 21/n 1 | 13.549; 20.223; 20.059 90; 90.103; 90 | 5496 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216255 | CIF | C10 H0 O48 Si24 | P 1 21/n 1 | 13.435; 20.16; 19.9 90; 90; 90 | 5390 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216256 | CIF | C8 O48 Si24 | P 1 21/n 1 | 13.418; 20.131; 19.924 90; 90.06; 90 | 5382 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216257 | CIF | C12 O48 Si24 | P 1 21/n 1 | 13.534; 20.319; 20.104 90; 90.045; 90 | 5529 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216258 | CIF | C10 O48 Si24 | P 1 21/n 1 | 13.47; 20.19; 19.98 90; 90.02; 90 | 5434 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216259 | CIF | C7.6 H0 O48 Si24 | P 1 21/n 1 | 13.465; 20.177; 19.962 90; 90.052; 90 | 5423 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216260 | CIF | C4.4 O48 Si24 | P 1 21/n 1 | 13.455; 20.19; 19.95 90; 90.16; 90 | 5419.5 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216261 | CIF | C O48 Si24 | P 1 21/n 1 | 13.375; 20.13; 19.9 90; 90.1; 90 | 5358 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216262 | CIF | C3 H0 O48 Si24 | P 1 21/n 1 | 13.465; 20.16; 19.99 90; 89.983; 90 | 5426 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216263 | CIF | C1.3 H0 O48 Si24 | P 1 21/n 1 | 13.29; 20.02; 19.79 90; 90.04; 90 | 5265 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216264 | CIF | C3.6 O48 Si24 | P 1 21/n 1 | 13.462; 20.198; 19.99 90; 90.091; 90 | 5435 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216265 | CIF | C4 O48 Si24 | P 1 21/n 1 | 13.517; 20.307; 20.071 90; 89.998; 90 | 5509 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216266 | CIF | C5 O48 Si24 | P 1 21/n 1 | 13.431; 20.148; 19.921 90; 90.116; 90 | 5391 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216267 | CIF | C4.5 H0 O48 Si24 | P 1 21/n 1 | 13.448; 20.156; 19.971 90; 89.962; 90 | 5413 | Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method. Physical chemistry chemical physics : PCCP, 2014, 16, 15839-15845 |
7216694 | CIF | C26 H24 B F2 N3 O | P -1 | 10.2704; 10.7807; 11.5645 73.454; 84.803; 62.697 | 1089.47 | Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads. Physical chemistry chemical physics : PCCP, 2014, 16, 16290-16301 |
7216695 | CIF | C30 H26 B F2 N3 O | P -1 | 9.2908; 10.8702; 13.9066 102.09; 94.075; 114.538 | 1229.41 | Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads. Physical chemistry chemical physics : PCCP, 2014, 16, 16290-16301 |
7216763 | CIF | C33 H36 N2 O3 | P 1 21/c 1 | 6.1664; 23.5787; 20.6871 90; 99.961; 90 | 2962.5 | Cole, Jacqueline M.; Low, Kian Sing; Ozoe, Hiroaki; Stathi, Panagiota; Kitamura, Chitoshi; Kurata, Hiroyuki; Rudolf, Petra; Kawase, Takeshi Data mining with molecular design rules identifies new class of dyes for dye-sensitised solar cells. Physical chemistry chemical physics : PCCP, 2014, 16, 26684-26690 |
7216779 | CIF | C72 H128 Fe2 N4 O44 Ti17 | P 1 21/n 1 | 15.5703; 26.9767; 25.2494 90; 96.332; 90 | 10540.9 | Jarzembska, Katarzyna N.; Chen, Yang; Nasca, Justin N.; Trzop, Elżbieta; Watson, David F.; Coppens, Philip Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles. Physical chemistry chemical physics : PCCP, 2014, 16, 15792-15795 |
7217009 | CIF | C78 H138 Fe3 La N2 O18 | R -3 c :H | 16.821; 16.821; 55.396 90; 90; 120 | 13574.2 | Rigamonti, Luca; Cornia, Andrea; Nava, Andrea; Perfetti, Mauro; Boulon, Marie-Emmanuelle; Barra, Anne-Laure; Zhong, Xiaoliang; Park, Kyungwha; Sessoli, Roberta Mapping of single-site magnetic anisotropy tensors in weakly coupled spin clusters by torque magnetometry. Physical chemistry chemical physics : PCCP, 2014, 16, 17220-17230 |
7217125 | CIF | C11 H12 N2 O2 | P 1 21/n 1 | 7.7124; 8.9272; 14.9003 90; 97.869; 90 | 1016.23 | Majhi, Debashis; Das, Sudhir Kumar; Sahu, Prabhat Kumar; Pratik, Saied Md; Kumar, Arun; Sarkar, Moloy Probing the aggregation behavior of 4-aminophthalimide and 4-(N,N-dimethyl) amino-N-methylphthalimide: a combined photophysical, crystallographic, microscopic and theoretical (DFT) study. Physical chemistry chemical physics : PCCP, 2014, 16, 18349 |
7217839 | CIF | C34 H27 N3 O2 | P 1 21/n 1 | 14.2562; 14.1356; 14.3787 90; 117.825; 90 | 2562.57 | Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S. Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties. Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221 |
7217840 | CIF | C30 H21 N5 | P 1 21 1 | 5.6755; 11.9628; 16.5633 90; 91.632; 90 | 1124.11 | Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S. Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties. Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221 |
7217841 | CIF | C33 H25 N3 O2 | P 1 c 1 | 20.1555; 9.6757; 25.46 90; 100.668; 90 | 4879.36 | Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S. Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties. Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221 |
7217842 | CIF | C32 H24 N4 O | P 1 21/c 1 | 11.3385; 13.9762; 15.3735 90; 97.732; 90 | 2414.1 | Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S. Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties. Physical chemistry chemical physics : PCCP, 2014, 16, 22207-22221 |
7217843 | CIF | C20 H14 F N O3 | P 1 21/c 1 | 8.972; 7.295; 24.757 90; 96.902; 90 | 1608.6 | Mukherjee, Sanjoy; Thilagar, Pakkirisamy Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions. Physical chemistry chemical physics : PCCP, 2014, 16, 20866-20877 |
7217844 | CIF | C20 H14 Br N O3 | P 1 21/c 1 | 9.008; 7.848; 24.086 90; 100.229; 90 | 1676 | Mukherjee, Sanjoy; Thilagar, Pakkirisamy Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions. Physical chemistry chemical physics : PCCP, 2014, 16, 20866-20877 |
7217845 | CIF | C20 H14 N2 O5 | P 1 21/c 1 | 13.916; 11.329; 10.53 90; 98.067; 90 | 1643.7 | Mukherjee, Sanjoy; Thilagar, Pakkirisamy Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions. Physical chemistry chemical physics : PCCP, 2014, 16, 20866-20877 |
7217888 | CIF | C19 H94 N O33.7 | P -4 | 23.361; 23.361; 12.248 90; 90; 90 | 6684.2 | Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion. Physical chemistry chemical physics : PCCP, 2014, 16, 21467-21472 |
7217900 | CIF | C44 H36 F6 Ir N4 P | P 1 21/c 1 | 14.1492; 14.633; 18.3617 90; 92.289; 90 | 3798.7 | Fan, Shengqiang; Zong, Xu; Shaw, Paul E.; Wang, Xin; Geng, Yan; Smith, Arthur R. G.; Burn, Paul L.; Wang, Lianzhou; Lo, Shih-Chun Energetic requirements of iridium(iii) complex based photosensitisers in photocatalytic hydrogen generation. Physical chemistry chemical physics : PCCP, 2014, 16, 21577-21585 |
7218036 | CIF | C6 H2 Cl2 O2 | P 1 21/c 1 | 6.0187; 5.3451; 9.9651 90; 92.604; 90 | 320.25 | Vijaya Pandiyan, B.; Deepa, P.; Kolandaivel, P. On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers - ground- and excited-state properties. Physical chemistry chemical physics : PCCP, 2014, 16, 19928-19940 |
7218072 | CIF | C16 H36 F6 P2 | P 1 21/c 1 | 9.7465; 14.0652; 15.5029 90; 93.217; 90 | 2121.89 | Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium). Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626 |
7218073 | CIF | C16 H36 F6 P2 | P 1 21/c 1 | 9.8567; 14.1385; 15.777 90; 92.422; 90 | 2196.7 | Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium). Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626 |
7218074 | CIF | C16 H36 F6 P2 | P m c n | 9.9807; 13.8901; 16.2367 90; 90; 90 | 2250.9 | Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium). Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626 |
7218075 | CIF | C12 F6 P2 | P m -3 n | 15.142; 15.142; 15.142 90; 90; 90 | 3472 | Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium). Physical chemistry chemical physics : PCCP, 2014, 16, 23616-23626 |
7218080 | CIF | C26 H18 B F N2 O | P -1 | 11.18331; 12.02706; 15.06878 91.5953; 91.9937; 96.6478 | 2010.9 | Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate. Physical chemistry chemical physics : PCCP, 2014, 16, 22762-22774 |
7218081 | CIF | C26 H18 B F N2 O | P c a 21 | 12.3765; 14.9478; 21.9246 90; 90; 90 | 4056.1 | Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate. Physical chemistry chemical physics : PCCP, 2014, 16, 22762-22774 |
7218206 | CIF | C18 H18 B F2 N3 | P 1 21/c 1 | 24.7836; 6.7289; 20.9423 90; 114.264; 90 | 3184 | Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production. Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894 |
7218207 | CIF | C18 H12 B F2 I2 N3 | C m c m | 16.771; 15.274; 7.6839 90; 90; 90 | 1968.3 | Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production. Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894 |
7218208 | CIF | C18 H18 B F2 N3 | P 1 21 1 | 7.1055; 12.1329; 19.1171 90; 96.167; 90 | 1638.55 | Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production. Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894 |
7218209 | CIF | C26 H32 B Cl Co F2 N7 O4 | P 1 21/c 1 | 14.3736; 14.8242; 14.1707 90; 97.653; 90 | 2992.6 | Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production. Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894 |
7218210 | CIF | C26 H30 B Cl Co F2 I2 N7 O4 | P 1 21/n 1 | 8.658; 13.6093; 30.699 90; 92.969; 90 | 3612.4 | Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production. Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894 |
7218211 | CIF | C26 H32 B Cl Co F2 N7 O4 | C 1 2/m 1 | 32.1886; 13.8873; 8.432 90; 104.759; 90 | 3644.8 | Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production. Physical chemistry chemical physics : PCCP, 2014, 16, 23884-23894 |
7218298 | CIF | C26 H17 N3 O | P 1 21/c 1 | 10.3685; 26.786; 7.3961 90; 104.892; 90 | 1985.1 | Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives. Physical chemistry chemical physics : PCCP, 2014, 16, 23404-23411 |
7218299 | CIF | C29 H21 Cl2 N3 O | P 1 21/c 1 | 22.424; 15.2492; 6.8252 90; 98.75; 90 | 2306.7 | Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives. Physical chemistry chemical physics : PCCP, 2014, 16, 23404-23411 |
7218597 | CIF | C60 H40 B Cl3 F2 N5 O4 S2 | P -1 | 7.9981; 15.012; 22.533 108.53; 99.724; 92.76 | 2513.3 | Bandi, Venugopal; Gobeze, Habtom B.; Nesterov, Vladimir N.; Karr, Paul A.; D'Souza, Francis Phenothiazine-azaBODIPY-fullerene supramolecules: syntheses, structural characterization, and photochemical studies. Physical chemistry chemical physics : PCCP, 2014, 16, 25537-25547 |
7218677 | CIF | F4 Mg Sr | C m c 21 | 3.937; 14.488; 5.638 90; 90; 90 | 321.6 | Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y. Structures and optical properties of two phases of SrMgF4. Physical chemistry chemical physics : PCCP, 2015, 17, 500-508 |
7218678 | CIF | F4 Mg Sr | P 1 21 1 | 7.4736; 16.8835; 7.801 90; 105.03; 90 | 950.66 | Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y. Structures and optical properties of two phases of SrMgF4. Physical chemistry chemical physics : PCCP, 2015, 17, 500-508 |
7218686 | CIF | C12 H40 Cl Er N8 O20 | P -1 | 11.1; 11.164; 13.061 90.629; 91.51; 111.09 | 1509.2 | Janicki, Rafał; Mondry, Anna A new approach to determination of hydration equilibria constants for the case of [Er(EDTA)(H2O)n](-) complexes. Physical chemistry chemical physics : PCCP, 2014, 16, 26823-26831 |
7218748 | CIF | C26 H30 N2 O2 | P 1 21/a 1 | 8.8404; 8.9886; 13.346 90; 94.802; 90 | 1056.79 | Ravat, Prince; Baumgarten, Martin "Tschitschibabin type biradicals": benzenoid or quinoid? Physical chemistry chemical physics : PCCP, 2015, 17, 983-991 |
7218749 | CIF | C40 H42 N2 O6 | C 1 2/c 1 | 18.1306; 11.2298; 17.6135 90; 113.427; 90 | 3290.6 | Ravat, Prince; Baumgarten, Martin "Tschitschibabin type biradicals": benzenoid or quinoid? Physical chemistry chemical physics : PCCP, 2015, 17, 983-991 |
7218750 | CIF | C10 H13 N O | P 1 21/a 1 | 8.6143; 9.1073; 11.3382 90; 101.959; 90 | 870.21 | Ravat, Prince; Baumgarten, Martin "Tschitschibabin type biradicals": benzenoid or quinoid? Physical chemistry chemical physics : PCCP, 2015, 17, 983-991 |
7218871 | CIF | C45 H32 N2 | P -1 | 8.479; 12.9948; 16.2781 68.455; 84.347; 73.048 | 1595.69 | Li, Jie; Jiang, Yibin; Cheng, Juan; Zhang, Yilin; Su, Huimin; Lam, Jacky W. Y.; Sung, Herman H. Y.; Wong, Kam Sing; Kwok, Hoi Sing; Tang, Ben Zhong Tuning the singlet-triplet energy gap of AIE luminogens: crystallization-induced room temperature phosphorescence and delay fluorescence, tunable temperature response, highly efficient non-doped organic light-emitting diodes. Physical chemistry chemical physics : PCCP, 2015, 17, 1134-1141 |
7218975 | CIF | C7 H8 Cl N3 O4 | C 1 c 1 | 4.8198; 21.7824; 9.3616 90; 104.264; 90 | 952.54 | Sarkar, Sounak; Pavan, Mysore S.; Guru Row, T. N. Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis. Physical chemistry chemical physics : PCCP, 2015, 17, 2330-2334 |
7218994 | CIF | C11 H26 Cl2 N4 Ni O3 | P 1 21/n 1 | 6.66207; 17.0552; 15.01109 90; 102.416; 90 | 1665.71 | Neri, Gaia; Walsh, James J.; Wilson, Calum; Reynal, Anna; Lim, Jason Y. C.; Li, Xiaoe; White, Andrew J. P.; Long, Nicholas J.; Durrant, James R.; Cowan, Alexander J. A functionalised nickel cyclam catalyst for CO2 reduction: electrocatalysis, semiconductor surface immobilisation and light-driven electron transfer. Physical chemistry chemical physics : PCCP, 2015, 17, 1562-1566 |
7219026 | CIF | C13 H26 F3 K O9 S | P b c a | 16.209; 15.443; 16.537 90; 90; 90 | 4139.5 | Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties. Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849 |
7219027 | CIF | C13 H24 F3 K O9 S | P 1 21/n 1 | 8.6188; 16.5613; 14.2025 90; 95.439; 90 | 2018.1 | Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties. Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849 |
7219028 | CIF | C12 H24 F6 K O6 P | P n n 2 | 7.84; 10.813; 11.426 90; 90; 90 | 968.6 | Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties. Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849 |
7219029 | CIF | C13 H24 K N O6 S | P 1 21/c 1 | 8.182; 14.222; 7.709 90; 98.717; 90 | 886.7 | Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties. Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849 |
7219056 | CIF | C48 H48 N6 | P 1 21/n 1 | 9.85327; 11.5888; 34.7326 90; 95.691; 90 | 3946.48 | Abate, Antonio; Planells, Miquel; Hollman, Derek J.; Barthi, Vishal; Chand, Suresh; Snaith, Henry J.; Robertson, Neil Hole-transport materials with greatly-differing redox potentials give efficient TiO2-[CH3NH3][PbX3] perovskite solar cells. Physical chemistry chemical physics : PCCP, 2015, 17, 2335-2338 |
7219096 | CIF | C3 H7 N O2 | P 21 21 21 | 6.8141; 7.9189; 8.5887 90; 90; 90 | 463.45 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219097 | CIF | C3 H7 N O2 | P 21 21 21 | 6.797; 7.9162; 8.5951 90; 90; 90 | 462.47 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219098 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7737; 7.917; 8.5989 90; 90; 90 | 461.14 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219099 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7518; 7.9135; 8.6022 90; 90; 90 | 459.62 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219100 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7285; 7.9107; 8.6056 90; 90; 90 | 458.05 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219101 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7099; 7.909; 8.6098 90; 90; 90 | 456.91 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219102 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6925; 7.9071; 8.6136 90; 90; 90 | 455.82 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219103 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6768; 7.9039; 8.6154 90; 90; 90 | 454.66 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219104 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6605; 7.9; 8.617 90; 90; 90 | 453.41 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219105 | CIF | C5 H11 N O2 | P n m a | 14.5652; 6.8755; 6.1405 90; 90; 90 | 614.93 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219106 | CIF | C5 H11 N O2 | P n m a | 14.5609; 6.8598; 6.129 90; 90; 90 | 612.19 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219107 | CIF | C5 H11 N O2 | P n m a | 14.5561; 6.8446; 6.1179 90; 90; 90 | 609.53 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219108 | CIF | C5 H11 N O2 | P n m a | 14.5514; 6.8288; 6.1066 90; 90; 90 | 606.8 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219109 | CIF | C5 H11 N O2 | P n m a | 14.5449; 6.8144; 6.0963 90; 90; 90 | 604.23 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219110 | CIF | C5 H11 N O2 | P n m a | 14.5416; 6.8003; 6.0871 90; 90; 90 | 601.94 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219111 | CIF | C5 H11 N O2 | P n m a | 14.5379; 6.7879; 6.0772 90; 90; 90 | 599.71 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219112 | CIF | C5 H11 N O2 | P n m a | 14.534; 6.777; 6.0668 90; 90; 90 | 597.56 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219113 | CIF | C5 H11 N O2 | P n m a | 14.5314; 6.7663; 6.0577 90; 90; 90 | 595.62 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
7219138 | CIF | Ag Er0.02 Li Mo4 O16 Yb1.98 | I -4 | 5.151716; 5.151716; 11.26442 90; 90; 90 | 298.96 | Cheng, Fangrui; Xia, Zhiguo; Jing, Xiping; Wang, Ziyuan Li/Ag ratio dependent structure and upconversion photoluminescence of LixAg1-xYb0.99(MoO4)2:0.01Er(3+) phosphors. Physical chemistry chemical physics : PCCP, 2015, 17, 3689-3696 |
7219160 | CIF | C32 H18 F4 N4 O4 | P -1 | 6.8078; 10.6592; 10.84 61.373; 71.958; 84.063 | 655.6 | Rudloff, Milan; Ackermann, Kai; Huth, Michael; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Wolfram, Benedikt; Bröring, Martin; Bolte, Michael; Chercka, Dennis; Baumgarten, Martin; Müllen, Klaus Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene-tetracyanoquinodimethane. Physical chemistry chemical physics : PCCP, 2015, 17, 4118-4126 |
7219187 | CIF | C29 H48 Br N5 O3 | P -1 | 8.0979; 10.1206; 20.3102 78.159; 88.1; 69.662 | 1526.23 | Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts. Physical chemistry chemical physics : PCCP, 2015, 17, 8382-8392 |
7219188 | CIF | C31 H48 Cl7 N5 O2 | P 1 21/c 1 | 9.7566; 9.1438; 42.575 90; 91.25; 90 | 3797.3 | Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts. Physical chemistry chemical physics : PCCP, 2015, 17, 8382-8392 |
7219328 | CIF | C13 H28 Br3 Cl N2 O2 | P 1 21/n 1 | 16.0589; 13.638; 18.3496 90; 95.258; 90 | 4001.9 | Rosokha, Sergiy V.; Traversa, Alfredo From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions. Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999 |
7219329 | CIF | C13 H28 Br3 F I N | P n a 21 | 33.76; 8.427; 14.421 90; 90; 90 | 4103 | Rosokha, Sergiy V.; Traversa, Alfredo From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions. Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999 |
7219330 | CIF | C14 H28 Br3 I N2 | P 1 21/n 1 | 8.5118; 18.3083; 13.3813 90; 97.315; 90 | 2068.32 | Rosokha, Sergiy V.; Traversa, Alfredo From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions. Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999 |
7219575 | CIF | C46 H64 O4 S2 | P 1 21/c 1 | 8.972; 17.266; 14.26 90; 94.66; 90 | 2201.7 | Colella, L.; Brambilla, L.; Nardone, V.; Parisini, E.; Castiglioni, C.; Bertarelli, C. Outside rules inside: the role of electron-active substituents in thiophene-based heterophenoquinones. Physical chemistry chemical physics : PCCP, 2015, 17, 10426-10437 |
7219632 | CIF | C53 H89 Cl3 N26 O24 | P 1 21 1 | 14.6268; 18.3253; 15.3798 90; 118.011; 90 | 3639.5 | Xiao, Xin; Gao, Zhong-Zheng; Shan, Cheng-Long; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Liu, Jing-Xin Encapsulation of haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium in symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril. Physical chemistry chemical physics : PCCP, 2015, 17, 8618-8621 |
7219831 | CIF | C20 H19 B F2 N2 O2 | P -1 | 8.3643; 9.794; 11.596 79.79; 71.08; 87.2 | 884.4 | Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs. Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729 |
7219832 | CIF | C20 H17 B F2 I2 N2 O2 | P -1 | 7.747; 10.414; 14.007 91.746; 105.965; 91.149 | 1085.5 | Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs. Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729 |
7219833 | CIF | C21 H19 B F2 I2 N2 O2 | P -1 | 10.0744; 10.408; 11.805 69.844; 85.884; 68.191 | 1076.58 | Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs. Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729 |
7219903 | CIF | B5 H3 O11 Sr2 | C 1 2 1 | 10.2342; 8.024; 6.3898 90; 127.882; 90 | 414.15 | Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O. Physical chemistry chemical physics : PCCP, 2015, 17, 10489-10496 |
7219973 | CIF | C12 H10 O2.4 | P 1 21/n 1 | 15.074; 3.9014; 17.001 90; 110.532; 90 | 936.3 | Manolova, Y.; Kurteva, V.; Antonov, L.; Marciniak, H.; Lochbrunner, S.; Crochet, A.; Fromm, K. M.; Kamounah, F. S.; Hansen, P. E. 4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation. Physical chemistry chemical physics : PCCP, 2015, 17, 10238-10249 |
7220032 | CIF | C25 H22 N3 O S6 Yb | P 1 21/c 1 | 8.07021; 19.1975; 17.7338 90; 93.6245; 90 | 2741.96 | Ilichev, Vasily A.; Pushkarev, Anatoly P.; Rumyantcev, Roman V.; Yablonskiy, Artem N.; Balashova, Tatyana V.; Fukin, Georgy K.; Grishin, Dmitry F.; Andreev, Boris A.; Bochkarev, Mikhail N. Luminescent properties of 2-mercaptobenzothiazolates of trivalent lanthanides. Physical chemistry chemical physics : PCCP, 2015, 17, 11000-11005 |
7220415 | CIF | C4 H4 N8 | P 1 21/n 1 | 4.9579; 6.4613; 10.181 90; 92.28; 90 | 325.88 | Wu, L.-C.; Chung, W.-C.; Wang, C.-C.; Lee, G.-H.; Lu, S.-I.; Wang, Y. A charge density study of π-delocalization and intermolecular interactions. Physical chemistry chemical physics : PCCP, 2015, 17, 14177-14184 |
7220416 | CIF | C26 H18 O4 | P -1 | 3.8538; 10.179; 13 97.18; 96.03; 100.6 | 493 | Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups. Physical chemistry chemical physics : PCCP, 2015, 17, 13680-13688 |
7220417 | CIF | C24 H14 O4 | C 1 2/c 1 | 40.449; 3.8627; 11.605 90; 94.87; 90 | 1806.6 | Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups. Physical chemistry chemical physics : PCCP, 2015, 17, 13680-13688 |
7220418 | CIF | C11 H18 F6 N2 O5 S2 | P -1 | 14.282; 17.055; 17.128 60.5; 82.665; 89.096 | 3596.1 | Yao, Wenzhi; Kelley, Steven P.; Rogers, Robin D.; Vaid, Thomas P. Electrical conductivity in two mixed-valence liquids. Physical chemistry chemical physics : PCCP, 2015, 17, 14107-14114 |
7220453 | CIF | C77 H67 Cl2 N5 Zn | P 1 21/a 1 | 17.737; 18.295; 19.069 90; 92.168; 90 | 6183.4 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
7220454 | CIF | C71 H76 N4 O5 Zn | P 1 21/a 1 | 19.126; 17.2247; 19.215 90; 93.303; 90 | 6319.7 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
7220455 | CIF | C53 H21 F12 N5 Zn | P -1 | 16.724; 16.971; 20.045 107.054; 107.58; 105.011 | 4793 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
7220526 | CIF | Cu2 Se4 Sn Zn | I -4 2 m | 5.69647; 5.69647; 11.3394 90; 90; 90 | 367.961 | Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe). Physical chemistry chemical physics : PCCP, 2015, 17, 15088-15092 |
7220573 | CIF | C12 H13 N3 O7 | P 1 21/c 1 | 10.056; 15.875; 9.709 90; 115.617; 90 | 1398 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
7220574 | CIF | C13 H13 N3 O9 | P 21 21 21 | 4.895; 12.127; 27.29 90; 90; 90 | 1620 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
7220575 | CIF | C14 H15 N3 O9 | P 21 21 21 | 8.759; 12.834; 30.603 90; 90; 90 | 3440 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
7220580 | CIF | C2 Cl2 F N S | P 21 21 21 | 5.9327; 8.3874; 11.5697 90; 90; 90 | 575.707 | Berrueta Martínez, Y; Rodríguez Pirani, L S; Erben, M. F.; Reuter, C. G.; Vishnevskiy, Y. V.; Stammler, H. G.; Mitzel, N. W.; Della Védova, C O The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases. Physical chemistry chemical physics : PCCP, 2015, 17, 15805-15812 |
7220643 | CIF | C35 H32 Eu F9 O11 S | P -1 | 11.1497; 13.5201; 14.2594 75.358; 74.28; 83.906 | 2000.3 | Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes. Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144 |
7220644 | CIF | C74 H66 Eu2 F18 O22 S4 | C 1 2/c 1 | 22.453; 23.9254; 19.4634 90; 122.737; 90 | 8794.9 | Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes. Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144 |
7220700 | CIF | C11 H11 N5 O7 | P -1 | 7.3233; 9.6646; 10.3323 78.588; 80.835; 85.796 | 707.02 | Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding. Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177 |
7220701 | CIF | C13 H15 N5 O7 | P -1 | 6.6831; 10.6065; 11.8839 73.513; 87.771; 75.787 | 782.59 | Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding. Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177 |
7220735 | CIF | C30 H24 N2 Ni2 O8 | P 1 | 6.9472; 8.1805; 12.1722 91.1412; 103.873; 104.55 | 647.678 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
7220736 | CIF | C54 H72 N2 Ni2 O8 | P 1 21/m 1 | 20.446; 16.4661; 9.3532 90; 94.0138; 90 | 3141.18 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
7220737 | CIF | C48 H78 N2 Ni2 O8 | P 1 | 9.4778; 11.0657; 12.6936 101.544; 92.0654; 100.59 | 1278.46 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
7220849 | CIF | C22 H18 N2 | I 41/a :2 | 18.225; 18.225; 9.896 90; 90; 90 | 3287 | Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M. Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission. Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473 |
7220850 | CIF | C22 H18 N2 | P -1 | 8.44; 9.676; 10.316 75.506; 87.977; 79.212 | 801.2 | Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M. Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission. Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473 |
7220851 | CIF | Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 | I 41/a :2 | 5.29961; 5.29961; 11.70466 90; 90; 90 | 328.736 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
7220852 | CIF | Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 | I 41/a :2 | 5.30206; 5.30206; 11.71178 90; 90; 90 | 329.24 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
7220853 | CIF | Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 | I 41/a :2 | 5.29843; 5.29843; 11.71297 90; 90; 90 | 328.822 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
7220854 | CIF | Ca La2 Mo4 O16 | I 41/a :2 | 5.33701; 5.33701; 11.82903 90; 90; 90 | 336.93 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
7220855 | CIF | Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 | I 41/a :2 | 5.303003; 5.303003; 11.71619 90; 90; 90 | 329.481 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
7220885 | CIF | C17 H23 N3 O2 | P 1 21/n 1 | 6.8038; 17.311; 13.4729 90; 99.299; 90 | 1565.99 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
7220886 | CIF | C17 H23 N3 O2 | P 1 21/n 1 | 10.896; 7.886; 19.222 90; 94.135; 90 | 1647.4 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
7220887 | CIF | C16 H20 N2 O3 | P 1 21/n 1 | 7.1834; 12.7135; 16.514 90; 97.201; 90 | 1496.26 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
7220888 | CIF | C16 H20 N2 O3 | P 1 21/n 1 | 13.818; 7.428; 15.482 90; 93.055; 90 | 1586.8 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
7220917 | CIF | C17 H13 N O2 | P 1 21/n 1 | 8.804; 7.685; 21.631 90; 100.287; 90 | 1440 | Karunakaran, Venugopal; Prabhu, Deepak D.; Das, Suresh; Varughese, Sunil Transformation of photophysical properties from solution to solid state in alkoxy-cyano-diphenylacetylene molecules. Physical chemistry chemical physics : PCCP, 2015, 17, 18768-18779 |
7220981 | CIF | C14 H10 Br N3 | P 1 21/c 1 | 7.7832; 9.8765; 16.564 90; 91.056; 90 | 1273.1 | Ghosh, Pritam; Roy, Biswajit Gopal; Jana, Saibal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata Colorimetric and fluorimetric response of Schiff base molecules towards fluoride anion, solution test kit fabrication, logical interpretations and DFT-D3 study. Physical chemistry chemical physics : PCCP, 2015, 17, 20288-20295 |
7221650 | CIF | Ag2 S | I m -3 m | 4.8741; 4.8741; 4.8741 90; 90; 90 | 115.793 | Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A. An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder. Physical chemistry chemical physics : PCCP, 2015, 17, 20495-20501 |
7221662 | CIF | C23 H29 N O | P 1 2/c 1 | 12.8075; 9.6355; 15.8732 90; 96.659; 90 | 1945.64 | Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C. Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study. Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911 |
7221663 | CIF | C26 H29 N3 | P 1 21/a 1 | 13.2115; 9.4084; 18.0693 90; 107.007; 90 | 2147.78 | Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C. Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study. Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911 |
7221877 | CIF | C4 H6 N4 O3 S2 | P -1 | 5.2819; 8.9293; 9.3525 104.658; 99.308; 99.803 | 410.69 | Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N. SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide. Physical chemistry chemical physics : PCCP, 2015, 17, 25411-25420 |
7222036 | CIF | C26 H23 Cl2 Co N6 O2 | P -1 | 8.924; 10.108; 14.354 91.53; 103.39; 100.48 | 1235.4 | Kamyabi, Mohammad Ali; Soleymani-Bonoti, Fatemeh; Bikas, Rahman; Hosseini-Monfared, Hassan; Arshadi, Nematollah; Siczek, Milosz; Lis, Tadeusz Molecular oxygen reduction catalyzed by a highly oxidative resistant complex of cobalt-hydrazone at the liquid/liquid interface. Physical chemistry chemical physics : PCCP, 2015, 17, 32161-32172 |
7222256 | CIF | C22 H22 N2 O8 | P 1 21/c 1 | 12.817; 7.3554; 11.1126 90; 98.49; 90 | 1036.15 | Silberstein, Katharine E.; Pastore, James P.; Zhou, Weidong; Potash, Rebecca A.; Hernández-Burgos, Kenneth; Lobkovsky, Emil B.; Abruña, Héctor D Electrochemical lithiation-induced polymorphism of anthraquinone derivatives observed by operando X-ray diffraction. Physical chemistry chemical physics : PCCP, 2015, 17, 27665-27671 |
7222399 | CIF | C19 H18 Ge | P 1 21/c 1 | 18.5689; 9.5521; 18.3723 90; 107.433; 90 | 3109.05 | Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids. Physical chemistry chemical physics : PCCP, 2015, 17, 28866-28878 |
7222453 | CIF | C40 H51 N5 O S | P -1 | 10.387; 10.78; 17.168 90.321; 95.987; 93.823 | 1907.4 | Xu, Huajun; Yang, Dan; Liu, Fenggang; Fu, Mingkai; Bo, Shuhui; Liu, Xinhou; Cao, Yuan Nonlinear optical chromophores based on Dewar's rules: enhancement of electro-optic activity by introducing heteroatoms into the donor or bridge. Physical chemistry chemical physics : PCCP, 2015, 17, 29679-29688 |
7223005 | CIF | C60 H54 F18 O18 S12 Yb2 | C 1 2/c 1 | 41.711; 11.8124; 16.553 90; 98.582; 90 | 8064.5 | Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates. Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517 |
7223006 | CIF | C26 H18 F9 O7 S4 Yb | P 21 21 21 | 10.914; 11.4933; 26.0098 90; 90; 90 | 3262.6 | Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates. Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517 |
7223024 | CIF | C14 H15 N O3 | C m c 21 | 6.6923; 7.5956; 22.7742 90; 90; 90 | 1157.66 | Kanosue, Kenta; Ando, Shinji Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds. Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669 |
7223025 | CIF | C14 H15 N O4 | P -1 | 5.0909; 5.2071; 23.0054 93.826; 94.857; 98.102 | 599.68 | Kanosue, Kenta; Ando, Shinji Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds. Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669 |
7223075 | CIF | C22 H18 B0.5 N2.5 | P b c n | 20.669; 13.906; 12.406 90; 90; 90 | 3565.8 | Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination. Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432 |
7223076 | CIF | C35 H34 B N3 | P -1 | 8.2822; 11.668; 16.026 97.984; 94.609; 101.2 | 1495.3 | Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination. Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432 |
7223106 | CIF | C24 H22 N O | C 1 2/c 1 | 17.6732; 7.1183; 29.6076 90; 100.828; 90 | 3658.4 | Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals. Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652 |
7223107 | CIF | C24 H22 N O | P 1 21/c 1 | 8.7919; 26.2294; 8.1257 90; 103.413; 90 | 1822.7 | Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals. Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652 |
7223319 | CIF | C46 H68 N2 S2 | P -1 | 5.5193; 8.7116; 23.1468 84.894; 88.701; 72.509 | 1057.26 | Chen, Jianhua; Xiao, Manjun; Duan, Linrui; Wang, Qiong; Tan, Hua; Su, Ning; Liu, Yu; Yang, Renqiang; Zhu, Weiguo Benzodi(pyridothiophene): a novel acceptor unit for application in A1-A-A1 type photovoltaic small molecules. Physical chemistry chemical physics : PCCP, 2016, 18, 1507-1515 |
7223426 | CIF | C16 H21 Br O Si | P 1 21 1 | 7.0513; 7.6501; 15.5178 90; 101.367; 90 | 820.66 | Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L. Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction. Physical chemistry chemical physics : PCCP, 2016, 18, 1720-1726 |
7223530 | CIF | C47 H39 N | P n m a | 15.6323; 14.7468; 14.4198 90; 90; 90 | 3324.1 | Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration. Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737 |
7223531 | CIF | C42 H25 Cl3 | P -1 | 8.51239; 12.4653; 14.2625 91.3139; 93.6817; 101.235 | 1480.35 | Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration. Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737 |
7223532 | CIF | C45 H29 | P 1 21/c 1 | 8.42; 14.384; 24.107 90; 91.53; 90 | 2918.64 | Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration. Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737 |
7223553 | CIF | C84 H72 N8 O19 S24 | P 1 21/m 1 | 10.8302; 33.4895; 13.8319 90; 99.191; 90 | 4952.4 | Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation. Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948 |
7223554 | CIF | C64 H52 N8 O21 S8 | C 1 2/c 1 | 23.6681; 22.0587; 13.2272 90; 111.589; 90 | 6421.3 | Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation. Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948 |
7223851 | CIF | C30 H21 F6 Mn O6 | R -3 :H | 18.583; 18.583; 14.503 90; 90; 120 | 4337.3 | Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs. Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956 |
7223852 | CIF | C28 H40 Cl Mn N2 O8 | C 1 2/c 1 | 16.325; 17.663; 12.491 90; 115.434; 90 | 3252.7 | Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs. Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956 |
7223853 | CIF | C38 H40 F4 Mn N2 O4 | C 1 2/c 1 | 18.2229; 19.0407; 11.7031 90; 115.785; 90 | 3656.4 | Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs. Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956 |
7223984 | CIF | C60 H24 N8 O8 Zn3 | I 4/m m m | 16.679; 16.679; 17.674 90; 90; 90 | 4916.7 | Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination. Physical chemistry chemical physics : PCCP, 2016, 18, 5453-5463 |
7223985 | CIF | C10 F8 | P 1 21/c 1 | 13.3203; 4.8791; 19.8516 90; 100.245; 90 | 1269.61 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
7223986 | CIF | C10 Cl8 | P 1 21/n 1 | 9.7244; 7.1739; 18.2816 90; 98.317; 90 | 1261.9 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
7223987 | CIF | C10 Br8 | P b c n | 11.3832; 7.8114; 16.5506 90; 90; 90 | 1471.66 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
7223988 | CIF | C14 Cl10 | P -1 | 7.1558; 9.5084; 12.4684 75.854; 82.701; 87.954 | 815.95 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
7224087 | CIF | C8 H14 O12 Zn | P -1 | 5.1749; 7.2736; 9.1901 108.304; 105.213; 92.434 | 313.95 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
7224088 | CIF | C8 H14 Ni O12 | P -1 | 5.142; 7.2793; 9.1121 108.025; 105.191; 92.14 | 310.38 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
7224089 | CIF | C8 H14 Co O12 | P -1 | 5.1742; 7.2742; 9.2053 108.809; 105.003; 92.409 | 313.79 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
7224090 | CIF | C8 H14 Fe O12 | P -1 | 5.2115; 7.3307; 9.2529 109.019; 105.339; 92.53 | 318.98 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
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