Crystallography Open Database

Result : There are 1272 entries in the selection

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

COD ID: 1544075
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3742
Cell parameters: 15.1215; 14.5537; 17.0259; 90; 92.957; 90;  

COD ID: 1544076
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3732.5
Cell parameters: 15.1192; 14.5268; 17.0178; 90; 93.017; 90;  

COD ID: 1544077
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3589.6
Cell parameters: 15.007; 14.3798; 16.6543; 90; 92.812; 90;  

COD ID: 1544078
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3662.6
Cell parameters: 15.0917; 14.196; 17.1443; 90; 94.31; 90;  

COD ID: 1544079
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3658.2
Cell parameters: 15.092; 14.1832; 17.1387; 90; 94.321; 90;  

COD ID: 1544080
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3726
Cell parameters: 15.1117; 14.5148; 17.011; 90; 93.032; 90;  

COD ID: 1544081
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3677.8
Cell parameters: 15.0934; 14.2495; 17.147; 90; 94.234; 90;  

COD ID: 1544082
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3718.2
Cell parameters: 15.1103; 14.4939; 17.0017; 90; 93.063; 90;  

COD ID: 1544083
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3738.4
Cell parameters: 15.1196; 14.5444; 17.023; 90; 92.966; 90;  

COD ID: 1544084
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3667.5
Cell parameters: 15.0918; 14.2146; 17.1441; 90; 94.286; 90;  

COD ID: 1544085
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3693.1
Cell parameters: 15.097; 14.3013; 17.1496; 90; 94.136; 90;  

COD ID: 1544086
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3682.3
Cell parameters: 15.094; 14.2636; 17.1499; 90; 94.206; 90;  

COD ID: 1544087
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3687.8
Cell parameters: 15.0958; 14.2842; 17.1476; 90; 94.159; 90;  

COD ID: 1544088
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3709.4
Cell parameters: 15.1034; 14.3594; 17.1456; 90; 94.006; 90;  

COD ID: 1544089
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3698.7
Cell parameters: 15.0995; 14.3215; 17.1475; 90; 94.087; 90;  

COD ID: 1544090
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3746.3
Cell parameters: 15.1239; 14.5665; 17.0273; 90; 92.929; 90;  

COD ID: 1544091
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3724.8
Cell parameters: 15.1158; 14.507; 17.0102; 90; 93.051; 90;  

COD ID: 1544092
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3727.8
Cell parameters: 15.1104; 14.4217; 17.1457; 90; 93.883; 90;  

COD ID: 1544093
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3742.9
Cell parameters: 15.1213; 14.5553; 17.0282; 90; 92.945; 90;  

COD ID: 1544094
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3753.8
Cell parameters: 15.1221; 14.5091; 17.1448; 90; 93.707; 90;  

COD ID: 1544095
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3703.5
Cell parameters: 15.1005; 14.3391; 17.147; 90; 94.05; 90;  

COD ID: 1544096
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3741.3
Cell parameters: 15.117; 14.4666; 17.1452; 90; 93.793; 90;  

COD ID: 1544097
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3767.9
Cell parameters: 15.1281; 14.555; 17.1464; 90; 93.621; 90;  

COD ID: 1544098
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3761.5
Cell parameters: 15.1251; 14.5335; 17.1467; 90; 93.657; 90;  

COD ID: 1544099
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3672.7
Cell parameters: 15.092; 14.2288; 17.1508; 90; 94.277; 90;  

COD ID: 1544100
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3747.7
Cell parameters: 15.1195; 14.4879; 17.1458; 90; 93.756; 90;  

COD ID: 1544101
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3775.7
Cell parameters: 15.13; 14.5806; 17.1485; 90; 93.558; 90;  

COD ID: 1544102
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3734.2
Cell parameters: 15.1135; 14.4437; 17.1447; 90; 93.836; 90;  

COD ID: 1544103
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3721.5
Cell parameters: 15.1082; 14.4006; 17.1451; 90; 93.924; 90;  

COD ID: 1544104
CIF file Formula: - C38 H28 N10 S2 Zn -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3715.2
Cell parameters: 15.1058; 14.379; 17.1457; 90; 93.973; 90;  

COD ID: 1544105
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3573.8
Cell parameters: 15.0064; 14.3397; 16.6293; 90; 92.918; 90;  

COD ID: 1544106
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3576.6
Cell parameters: 14.9984; 14.3524; 16.635; 90; 92.822; 90;  

COD ID: 1544107
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3596.1
Cell parameters: 15.0133; 14.3893; 16.6664; 90; 92.825; 90;  

COD ID: 1544108
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3578.1
Cell parameters: 15.0068; 14.35; 16.6364; 90; 92.859; 90;  

COD ID: 1544109
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3585.3
Cell parameters: 15.007; 14.3657; 16.6511; 90; 92.856; 90;  

COD ID: 1544110
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3587.2
Cell parameters: 15.0091; 14.3725; 16.6495; 90; 92.839; 90;  

COD ID: 1544111
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3596.4
Cell parameters: 15.0119; 14.3903; 16.6678; 90; 92.793; 90;  

COD ID: 1544112
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3599.1
Cell parameters: 15.0171; 14.3939; 16.6705; 90; 92.807; 90;  

COD ID: 1544113
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3584.8
Cell parameters: 15.009; 14.3641; 16.6475; 90; 92.803; 90;  

COD ID: 1544114
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3603.1
Cell parameters: 15.0178; 14.4001; 16.6809; 90; 92.794; 90;  

COD ID: 1544115
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3634.9
Cell parameters: 15.0534; 14.4184; 16.7682; 90; 92.865; 90;  

COD ID: 1544116
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3664.2
Cell parameters: 15.08; 14.4253; 16.8673; 90; 92.994; 90;  

COD ID: 1544117
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3671.1
Cell parameters: 15.0821; 14.4302; 16.8916; 90; 93.026; 90;  

COD ID: 1544118
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3614.7
Cell parameters: 15.0294; 14.4106; 16.7098; 90; 92.796; 90;  

COD ID: 1544119
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3619.2
Cell parameters: 15.0368; 14.4119; 16.7208; 90; 92.815; 90;  

COD ID: 1544120
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3610.9
Cell parameters: 15.0266; 14.4078; 16.6985; 90; 92.813; 90;  

COD ID: 1544121
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3681.3
Cell parameters: 15.0861; 14.4369; 16.927; 90; 93.073; 90;  

COD ID: 1544122
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3625.2
Cell parameters: 15.0406; 14.4132; 16.7432; 90; 92.832; 90;  

COD ID: 1544123
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3703
Cell parameters: 15.1046; 14.4631; 16.9754; 90; 93.103; 90;  

COD ID: 1544124
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3690.2
Cell parameters: 15.0984; 14.4452; 16.9444; 90; 93.086; 90;  

COD ID: 1544125
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3649.9
Cell parameters: 15.0676; 14.4217; 16.8187; 90; 92.929; 90;  

COD ID: 1544126
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3700.1
Cell parameters: 15.1045; 14.4584; 16.9678; 90; 93.103; 90;  

COD ID: 1544127
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3711.5
Cell parameters: 15.1063; 14.4809; 16.9914; 90; 93.085; 90;  

COD ID: 1544128
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3678.3
Cell parameters: 15.0902; 14.4342; 16.9112; 90; 93.056; 90;  

COD ID: 1544129
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3716.6
Cell parameters: 15.1127; 14.4897; 16.9969; 90; 93.083; 90;  

COD ID: 1544130
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3641.9
Cell parameters: 15.0573; 14.42; 16.7947; 90; 92.889; 90;  

COD ID: 1544131
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3693
Cell parameters: 15.0961; 14.4493; 16.955; 90; 93.099; 90;  

COD ID: 1544132
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3708.2
Cell parameters: 15.1081; 14.4721; 16.9844; 90; 93.095; 90;  

COD ID: 1544133
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3656.7
Cell parameters: 15.0713; 14.4223; 16.8453; 90; 92.962; 90;  

COD ID: 1544134
CIF file Formula: - C38 H28 Fe N10 S2 -
Comments: 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 18(40) (2016) 28307-28315
Space group: P 1 21/c 1
Cell volume: 3732.9
Cell parameters: 15.1186; 14.5293; 17.0171; 90; 93.012; 90;  

COD ID: 1550826
CIF file Formula: - C40 H34 Cl3 N3 O9 -
Comments: Kielesiński, Łukasz; Morawski, Olaf W.; Sobolewski, Andrzej L.; Gryko, Daniel T. The synthesis and photophysical properties of tris-coumarins. Physical chemistry chemical physics : PCCP 21(16) (2019) 8314-8325
Space group: P -1
Cell volume: 2009.81
Cell parameters: 12.7636; 13.1274; 14.2142; 81.027; 74.327; 61.269;  

COD ID: 1572814
CIF file Formula: - C15 H9 Cl N4 -
Comments: Chen, Yang; Sahoo, Smruti Ranjan; Baryshnikov, Glib V.; Gao, Lei; Zhu, Zhijia; Wu, Hongwei Solution and solid-state fluorescence emission from cyanostyrene molecules with multiple nitrogen atoms. Physical chemistry chemical physics : PCCP 26(42) (2024) 26816-26822
Space group: I 1 2/a 1
Cell volume: 2521
Cell parameters: 13.6775; 7.0104; 26.4013; 90; 95.209; 90;  

COD ID: 1572815
CIF file Formula: - C19 H14 N4 O -
Comments: Chen, Yang; Sahoo, Smruti Ranjan; Baryshnikov, Glib V.; Gao, Lei; Zhu, Zhijia; Wu, Hongwei Solution and solid-state fluorescence emission from cyanostyrene molecules with multiple nitrogen atoms. Physical chemistry chemical physics : PCCP 26(42) (2024) 26816-26822
Space group: P 1 21/c 1
Cell volume: 1550.9
Cell parameters: 10.8369; 7.3671; 20.0273; 90; 104.078; 90;  

COD ID: 7202767
CIF file Formula: - C19 H13 N5 O12 -
Comments: 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 9(24) (2007) 3181-3189
Space group: P n a 21
Cell volume: 2066.5
Cell parameters: 6.86; 13.404; 22.474; 90; 90; 90;  

COD ID: 7202841
CIF file Formula: - C2 H7 N O3 S -
Comments: 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 9(33) (2007) 4709-4720
Space group: P 1 21/c 1
Cell volume: 478.31
Cell parameters: 5.2737; 11.658; 7.7995; 90; 94.07; 90;  

COD ID: 7202842
CIF file Formula: - C2 H7 N O3 S -
Comments: 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 9(33) (2007) 4709-4720
Space group: P 1 21/c 1
Cell volume: 486.29
Cell parameters: 5.2815; 11.644; 7.9276; 90; 94.09; 90;  

COD ID: 7203146
CIF file Formula: - C23.33 H21.33 Cl0.67 I O0.33 P -
Comments: 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 8(7) (2006) 862-868
Space group: P 1 21/n 1
Cell volume: 6359
Cell parameters: 10.636; 17.24; 34.915; 90; 96.66; 90;  

COD ID: 7203147
CIF file Formula: - C13 H18 I O P -
Comments: 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 8(7) (2006) 862-868
Space group: P b c a
Cell volume: 2822.9
Cell parameters: 14.354; 11.207; 17.548; 90; 90; 90;  

COD ID: 7203148
CIF file Formula: - C20 H18 Cl2 I P -
Comments: 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 8(7) (2006) 862-868
Space group: P 1 21/n 1
Cell volume: 4021.8
Cell parameters: 19.007; 10.697; 20.438; 90; 104.57; 90;  

COD ID: 7203250
CIF file Formula: - C44 H32 F6 N4 O4 S4 -
Comments: 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 8(20) (2006) 2402-2412
Space group: I 1 2 1
Cell volume: 4103.4
Cell parameters: 16.2521; 16.252; 15.5357; 90; 90; 90;  

COD ID: 7203823
CIF file Formula: - C26 H20 O2 -
Comments: 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 7(16) (2005) 3027-3034
Space group: P 1 21/a 1
Cell volume: 1959
Cell parameters: 13.848; 9.052; 17.146; 90; 114.32; 90;  

COD ID: 7205528
CIF file Formula: - C19 H24 N5 O40 P W12 -
Comments: 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 13(1) (2011) 322-327
Space group: C 1 2/c 1
Cell volume: 4869.6
Cell parameters: 23.5058; 14.3158; 16.6984; 90; 119.933; 90;  

COD ID: 7205529
CIF file Formula: - C15 H18 N3 O40 P W12 -
Comments: 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 13(1) (2011) 322-327
Space group: P 1 21/n 1
Cell volume: 2204.9
Cell parameters: 12.216; 14.035; 12.988; 90; 98.045; 90;  

COD ID: 7205530
CIF file Formula: - C13 H6 N4 O4 S4 -
Comments: 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 13(7) (2011) 2857-2869
Space group: P 1 21/n 1
Cell volume: 3211.9
Cell parameters: 12.8201; 16.9483; 14.7822; 90; 90.024; 90;  

COD ID: 7205531
CIF file Formula: - C12 H5 N5 O2 S6 -
Comments: 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 13(7) (2011) 2857-2869
Space group: P -1
Cell volume: 834.88
Cell parameters: 7.5426; 9.0675; 13.3535; 75.171; 76.615; 73.739;  

COD ID: 7205532
CIF file Formula: - C7 H2 N4 O4 -
Comments: 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 13(7) (2011) 2857-2869
Space group: P 1 21/c 1
Cell volume: 812
Cell parameters: 9.8632; 8.1924; 10.8; 90; 111.484; 90;  

COD ID: 7205533
CIF file Formula: - C27 H15 N6 S6 -
Comments: 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 13(7) (2011) 2690-2700
Space group: P 1 21/c 1
Cell volume: 2615.14
Cell parameters: 5.8286; 22.7537; 19.7775; 90; 94.418; 90;  

COD ID: 7205534
CIF file Formula: - C14 H14 O3 -
Comments: 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 13(10) (2011) 4250-4259
Space group: P 1 21 1
Cell volume: 589.86
Cell parameters: 7.7354; 5.7181; 13.3641; 90; 93.737; 90;  

COD ID: 7205897
CIF file Formula: - C15 H8 Ba O6 -
Comments: 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 13(17) (2011) 7622-7629
Space group: P 1
Cell volume: 627.17
Cell parameters: 6.7676; 7.2311; 14.1591; 82.763; 84.102; 66.047;  

COD ID: 7205898
CIF file Formula: - C15 H12 Cd O8 -
Comments: 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 13(17) (2011) 7622-7629
Space group: P 1 21/c 1
Cell volume: 1410.95
Cell parameters: 7.7123; 28.5057; 6.6459; 90; 105.05; 90;  

COD ID: 7205899
CIF file Formula: - C15 H10 Mn O7 -
Comments: 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 13(17) (2011) 7622-7629
Space group: C 1 2/c 1
Cell volume: 1340.27
Cell parameters: 26.943; 7.2476; 6.9261; 90; 97.703; 90;  

COD ID: 7205900
CIF file Formula: - C18 H26 Ni2 Si2 -
Comments: 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 13(21) (2011) 10280-10284
Space group: C 1 2/c 1
Cell volume: 1849.55
Cell parameters: 18.1708; 6.5265; 17.4683; 90; 116.771; 90;  

COD ID: 7205901
CIF file Formula: - C57 H70 N6 O20 -
Comments: 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 13(14) (2011) 6423-6433
Space group: P -1
Cell volume: 2866
Cell parameters: 11.932; 16.268; 16.358; 77.24; 72.99; 72.58;  

COD ID: 7205902
CIF file Formula: - C108 H118 N12 O33 -
Comments: 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 13(14) (2011) 6423-6433
Space group: P 1 21/n 1
Cell volume: 10148
Cell parameters: 16.375; 27.574; 23.898; 90; 109.868; 90;  

COD ID: 7205903
CIF file Formula: - C34 H37 N3 O8 -
Comments: 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 13(14) (2011) 6423-6433
Space group: P 1 21/c 1
Cell volume: 3119.8
Cell parameters: 13.471; 18.802; 12.373; 90; 95.42; 90;  

COD ID: 7205904
CIF file Formula: - C99 H99 Bi8 I33 N18 -
Comments: 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 13(13) (2011) 5659-5667
Space group: P n m a
Cell volume: 16230
Cell parameters: 24.862; 31.758; 20.555; 90; 90; 90;  

COD ID: 7205905
CIF file Formula: - C36 H39 Bi2.67 I11 N6 -
Comments: 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 13(13) (2011) 5659-5667
Space group: P n m a
Cell volume: 5670.7
Cell parameters: 8.4498; 31.165; 21.534; 90; 90; 90;  

COD ID: 7205906
CIF file Formula: - C14 H18 Bi2 I8 N2 -
Comments: 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 13(13) (2011) 5659-5667
Space group: P b c a
Cell volume: 6029
Cell parameters: 20.254; 11.741; 25.352; 90; 90; 90;  

COD ID: 7206030
CIF file Formula: - C96 H216 Mo24 N6 O79 S2 -
Comments: 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 13(16) (2011) 7295-7297
Space group: P 1 21/n 1
Cell volume: 16300.8
Cell parameters: 22.2013; 30.4426; 24.1244; 90; 91.274; 90;  

COD ID: 7206031
CIF file Formula: - C96 H216 Mo24 N6 O79 S2 -
Comments: 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 13(16) (2011) 7295-7297
Space group: P 1 21/n 1
Cell volume: 15810
Cell parameters: 22.0259; 29.9732; 23.9492; 90; 90.628; 90;  

COD ID: 7206032
CIF file Formula: - C16 H22 Cu I3 N2 -
Comments: 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 13(22) (2011) 10781-10786
Space group: P 1 21/c 1
Cell volume: 2142.2
Cell parameters: 12.469; 11.529; 14.906; 90; 91.38; 90;  

COD ID: 7206161
CIF file Formula: - C H2 O -
Comments: 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 13(31) (2011) 14076-14091
Space group: P -4 21 c
Cell volume: 341.84
Cell parameters: 8.7411; 8.7411; 4.474; 90; 90; 90;  

COD ID: 7206162
CIF file Formula: - C2 H5 N O -
Comments: 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 13(31) (2011) 14076-14091
Space group: P 1 21/c 1
Cell volume: 645.64
Cell parameters: 8.7855; 8.5307; 8.6148; 90; 90.207; 90;  

COD ID: 7206163
CIF file Formula: - C3 H4 O -
Comments: 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 13(31) (2011) 14076-14091
Space group: P b c a
Cell volume: 686.7
Cell parameters: 7.134; 9.694; 9.93; 90; 90; 90;  

COD ID: 7206343
CIF file Formula: - C17 H18 N2 O2 S -
Comments: 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 13(28) (2011) 12808-12816
Space group: P -1
Cell volume: 795.54
Cell parameters: 7.4105; 8.9753; 12.2407; 94.259; 94.526; 100.2;  

COD ID: 7206344
CIF file Formula: - C17 H18 N2 O2 S -
Comments: 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 13(28) (2011) 12808-12816
Space group: P -1
Cell volume: 784.16
Cell parameters: 7.3605; 8.9292; 12.2136; 94.491; 94.715; 100.07;  

COD ID: 7206346
CIF file Formula: - C17 H18 N2 O2 S -
Comments: 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 13(28) (2011) 12808-12816
Space group: P -1
Cell volume: 1540.67
Cell parameters: 8.8708; 12.1901; 14.6128; 94.97; 100.217; 95.036;  

COD ID: 7206347
CIF file Formula: - C17 H18 N2 O3 S -
Comments: 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 13(28) (2011) 12808-12816
Space group: P 1 21/n 1
Cell volume: 1600.98
Cell parameters: 10.6987; 12.4986; 11.9748; 90; 91.067; 90;  

COD ID: 7206434
CIF file Formula: - C14 H10 N4 -
Comments: 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 13(35) (2011) 15854-15864
Space group: P -1
Cell volume: 581.1
Cell parameters: 6.7837; 8.7711; 10.7042; 75.951; 71.904; 77.94;  

COD ID: 7206435
CIF file Formula: - C13 H9 N5 -
Comments: 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 13(35) (2011) 15854-15864
Space group: P 21 21 21
Cell volume: 1088.5
Cell parameters: 4.9475; 10.0332; 21.929; 90; 90; 90;  

COD ID: 7206436
CIF file Formula: - C13 H13 N5 -
Comments: 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 13(35) (2011) 15854-15864
Space group: C 1 2/c 1
Cell volume: 2415.5
Cell parameters: 21.133; 8.8277; 13.0345; 90; 96.616; 90;  

COD ID: 7206437
CIF file Formula: - C15 H15 N2.5 O0.5 -
Comments: 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 13(35) (2011) 15845-15853
Space group: P 1 21/c 1
Cell volume: 1194.46
Cell parameters: 6.3306; 20.0666; 9.8174; 90; 106.713; 90;  

COD ID: 7206438
CIF file Formula: - C15 H11 N2 -
Comments: 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 13(35) (2011) 15845-15853
Space group: C 1 2/c 1
Cell volume: 4671.1
Cell parameters: 16.8348; 16.8841; 17.4604; 90; 109.748; 90;  

COD ID: 7206439
CIF file Formula: - C4 H9 N -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Pressure-induced pseudorotation in crystalline pyrrolidine. Physical chemistry chemical physics : PCCP 13(34) (2011) 15428-15431
Space group: P 1 21/c 1
Cell volume: 447.95
Cell parameters: 8.6367; 5.2081; 10.6375; 90; 110.579; 90;  

COD ID: 7206440
CIF file Formula: - C4 H9 N -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Pressure-induced pseudorotation in crystalline pyrrolidine. Physical chemistry chemical physics : PCCP 13(34) (2011) 15428-15431
Space group: P 1 21/c 1
Cell volume: 462.93
Cell parameters: 8.717; 5.233; 10.831; 90; 110.45; 90;  

COD ID: 7206441
CIF file Formula: - C4 H9 N -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Pressure-induced pseudorotation in crystalline pyrrolidine. Physical chemistry chemical physics : PCCP 13(34) (2011) 15428-15431
Space group: P -1
Cell volume: 389.96
Cell parameters: 7.702; 4.938; 10.572; 94.37; 98.54; 99.59;  

COD ID: 7206442
CIF file Formula: - C14 H6 F2 S4 -
Comments: 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 13(32) (2011) 14370-14377
Space group: P 1 21/c 1
Cell volume: 655.9
Cell parameters: 12.592; 3.903; 14.221; 90; 110.208; 90;  

COD ID: 7206443
CIF file Formula: - C22 H24 S4 -
Comments: 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 13(32) (2011) 14370-14377
Space group: P -1
Cell volume: 1050
Cell parameters: 10.701; 15.76; 6.242; 91.27; 91.08; 86.64;  

COD ID: 7206444
CIF file Formula: - C18 H20 S6 -
Comments: 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 13(32) (2011) 14370-14377
Space group: P 1 21/n 1
Cell volume: 2029.9
Cell parameters: 18.922; 17.118; 6.284; 90; 94.23; 90;  

COD ID: 7206578
CIF file Formula: - C22 H28 Cl Mn N2 O10 -
Comments: 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 13(40) (2011) 18069-18077
Space group: P 1 21/c 1
Cell volume: 2556.8
Cell parameters: 13.7192; 15.7383; 13.6309; 90; 119.689; 90;  

COD ID: 7206579
CIF file Formula: - C15 H20 N6 O6 S -
Comments: 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 13(38) (2011) 17405-17412
Space group: P 21 21 21
Cell volume: 1814.2
Cell parameters: 4.8367; 12.1128; 30.967; 90; 90; 90;  

COD ID: 7206580
CIF file Formula: - C14 H17 N O4 -
Comments: 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 13(40) (2011) 18005-18014
Space group: P 1 21/c 1
Cell volume: 1427.5
Cell parameters: 13.179; 7.241; 15.27; 90; 101.58; 90;  

COD ID: 7206581
CIF file Formula: - C16 H21 N O4 -
Comments: 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 13(40) (2011) 18005-18014
Space group: P 1 21/c 1
Cell volume: 1599.9
Cell parameters: 14.7372; 7.5331; 15.9358; 90; 115.266; 90;  

COD ID: 7206582
CIF file Formula: - C16 H21 N O4 -
Comments: 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 13(40) (2011) 18005-18014
Space group: C 1 2/c 1
Cell volume: 3196.2
Cell parameters: 23.263; 7.821; 19.649; 90; 116.614; 90;  

COD ID: 7206766
CIF file Formula: - La3 Li7 O12 Zr2 -
Comments: 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 13(43) (2011) 19378-19392
Space group: I a -3 d
Cell volume: 2168.65
Cell parameters: 12.94384; 12.94384; 12.94384; 90; 90; 90;  

COD ID: 7206767
CIF file Formula: - C29 H22 Cl3 N7 Ru -
Comments: 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 13(43) (2011) 19480-19484
Space group: P 1 21/n 1
Cell volume: 2702.4
Cell parameters: 9.2018; 17.8945; 16.4125; 90; 90.386; 90;  

COD ID: 7206881
CIF file Formula: - C6 H12 F6 N2 O4 S2 -
Comments: 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 13(45) (2011) 20302-20310
Space group: P -1
Cell volume: 1469.5
Cell parameters: 8.343; 12.798; 13.793; 91.36; 90.644; 93.478;  

COD ID: 7206882
CIF file Formula: - C8 H12 F10 N2 O4 S2 -
Comments: 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 13(45) (2011) 20302-20310
Space group: P 1 21/n 1
Cell volume: 1741.3
Cell parameters: 10.1328; 17.3243; 10.287; 90; 105.36; 90;  

COD ID: 7206883
CIF file Formula: - C4 H12 F2 N2 O4 S2 -
Comments: 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 13(45) (2011) 20302-20310
Space group: P 1 21/m 1
Cell volume: 548.61
Cell parameters: 5.8107; 11.1323; 8.4816; 90; 90.683; 90;  

COD ID: 7206884
CIF file Formula: - C8 H21 I N2 -
Comments: 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 13(45) (2011) 20380-20392
Space group: C m c m
Cell volume: 1141.69
Cell parameters: 8.8848; 10.8203; 11.8758; 90; 90; 90;  

COD ID: 7207309
CIF file Formula: - C4 H3 Ag F6 N2 O4 S2 -
Comments: 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 14(5) (2012) 1706-1715
Space group: P 1 21/c 1
Cell volume: 1194.96
Cell parameters: 7.6535; 18.7315; 8.4452; 90; 99.254; 90;  

COD ID: 7207310
CIF file Formula: - C12 H16 Ag F6 N5 O4 S2 -
Comments: 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 14(5) (2012) 1706-1715
Space group: P 1 21/n 1
Cell volume: 2034.94
Cell parameters: 14.9257; 8.6793; 16.5837; 90; 108.698; 90;  

COD ID: 7207311
CIF file Formula: - C36 H23 F6 N2 O P S -
Comments: 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 14(9) (2012) 3194-3199
Space group: P 1 21/m 1
Cell volume: 1422.3
Cell parameters: 13.773; 6.7999; 15.291; 90; 96.715; 90;  

COD ID: 7207312
CIF file Formula: - C34 H24 N6 O2 -
Comments: 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 14(8) (2012) 2809-2815
Space group: P 1 21/c 1
Cell volume: 2785.8
Cell parameters: 14.1772; 14.2156; 13.9291; 90; 97.092; 90;  

COD ID: 7207676
CIF file Formula: - C32 H26 N2 O4 S -
Comments: 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 14(15) (2012) 5289-5296
Space group: P -1
Cell volume: 1363.1
Cell parameters: 9.119; 10.382; 15.374; 105.468; 95.318; 100.648;  

COD ID: 7207677
CIF file Formula: - C23 H26 B F2 N5 -
Comments: 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 14(13) (2012) 4447-4456
Space group: P 1 21 1
Cell volume: 1097.3
Cell parameters: 7.4253; 18.6837; 7.9579; 90; 96.325; 90;  

COD ID: 7207678
CIF file Formula: - C39 H36 B F2 N5 -
Comments: 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 14(13) (2012) 4447-4456
Space group: P 1 21/n 1
Cell volume: 3200.48
Cell parameters: 11.893; 15.14; 17.8155; 90; 93.888; 90;  

COD ID: 7207679
CIF file Formula: - C38 H34 Fe2 N16 O2 S4 -
Comments: 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 14(15) (2012) 5265-5271
Space group: P 1 21/n 1
Cell volume: 2242
Cell parameters: 15.67; 8.175; 18.648; 90; 110.21; 90;  

COD ID: 7207680
CIF file Formula: - C38 H34 Fe2 N16 O2 S4 -
Comments: 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 14(15) (2012) 5265-5271
Space group: P 1 21/n 1
Cell volume: 2163
Cell parameters: 15.409; 8.078; 18.56; 90; 110.54; 90;  

COD ID: 7207681
CIF file Formula: - C38 H34 Fe2 N16 O2 S4 -
Comments: 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 14(15) (2012) 5265-5271
Space group: P 1 21/n 1
Cell volume: 2090
Cell parameters: 15.186; 7.967; 18.57; 90; 111.53; 90;  

COD ID: 7207682
CIF file Formula: - C38 H34 Fe2 N16 O2 S4 -
Comments: 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 14(15) (2012) 5265-5271
Space group: P 1 21/n 1
Cell volume: 2002
Cell parameters: 14.925; 7.861; 18.28; 90; 111.02; 90;  

COD ID: 7207683
CIF file Formula: - C38 H34 Fe2 N16 O2 S4 -
Comments: 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 14(15) (2012) 5265-5271
Space group: P 1 21/n 1
Cell volume: 1971
Cell parameters: 14.849; 7.823; 18.233; 90; 111.47; 90;  

COD ID: 7207684
CIF file Formula: - C38 H34 Fe2 N16 O2 S4 -
Comments: 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 14(15) (2012) 5265-5271
Space group: P 1 21/n 1
Cell volume: 1915
Cell parameters: 14.8; 7.69; 18.15; 91; 112; 89.4;  

COD ID: 7207685
CIF file Formula: - C56 H42 N4 O4 -
Comments: Hatano, Sayaka; Abe, Jiro A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer. Physical chemistry chemical physics : PCCP 14(16) (2012) 5855-5860
Space group: P -1
Cell volume: 2161.2
Cell parameters: 10.544; 15.291; 15.387; 64.648; 74.579; 83.447;  

COD ID: 7207686
CIF file Formula: - C52 H34 N4 O2 -
Comments: Hatano, Sayaka; Abe, Jiro A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer. Physical chemistry chemical physics : PCCP 14(16) (2012) 5855-5860
Space group: P -1
Cell volume: 1843
Cell parameters: 10.462; 10.806; 17.637; 86.158; 74.173; 73.868;  

COD ID: 7207687
CIF file Formula: - C15 H28 N4 O5 Si -
Comments: 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 14(16) (2012) 5672-5679
Space group: R -3 :H
Cell volume: 8495.8
Cell parameters: 35.463; 35.463; 7.8005; 90; 90; 120;  

COD ID: 7207688
CIF file Formula: - C15 H28 N4 O5 Si -
Comments: 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 14(16) (2012) 5672-5679
Space group: R -3 :H
Cell volume: 8495.8
Cell parameters: 35.463; 35.463; 7.8005; 90; 90; 120;  

COD ID: 7207689
CIF file Formula: - C9 H34 N3 Na2 O18 P -
Comments: 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 14(14) (2012) 4677-4681
Space group: P 1
Cell volume: 1191.2
Cell parameters: 7.3224; 10.0224; 16.631; 102.112; 92.853; 91.309;  

COD ID: 7207888
CIF file Formula: - C14 H9 N S2 -
Comments: 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 14(17) (2012) 6101-6111
Space group: P 1 21/c 1
Cell volume: 1128.8
Cell parameters: 9.9552; 14.2894; 8.1057; 90; 101.783; 90;  

COD ID: 7207889
CIF file Formula: - C22 H13 N S4 -
Comments: 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 14(17) (2012) 6101-6111
Space group: P n a 21
Cell volume: 1846.43
Cell parameters: 10.8666; 22.8858; 7.4246; 90; 90; 90;  

COD ID: 7207890
CIF file Formula: - C16 H17 Br2 N O S2 -
Comments: 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 14(17) (2012) 6101-6111
Space group: P 1 21/c 1
Cell volume: 1736.2
Cell parameters: 8.9068; 21.4647; 9.5892; 90; 108.726; 90;  

COD ID: 7208022
CIF file Formula: - C10 H15 N3 O3 -
Comments: 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 14(22) (2012) 8147-8159
Space group: P 1 21/c 1
Cell volume: 1128
Cell parameters: 5.728; 8.033; 24.575; 90; 94.02; 90;  

COD ID: 7208126
CIF file Formula: - C12 H10 F3 N3 -
Comments: 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 14(25) (2012) 9006-9015
Space group: P 1 21/n 1
Cell volume: 1139.14
Cell parameters: 11.5553; 8.1262; 13.2771; 90; 113.978; 90;  

COD ID: 7208127
CIF file Formula: - C11 H8 F3 N3 -
Comments: 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 14(25) (2012) 9006-9015
Space group: P 1 21/c 1
Cell volume: 1017.1
Cell parameters: 7.6053; 16.5396; 8.8177; 90; 113.508; 90;  

COD ID: 7208128
CIF file Formula: - C11 H6 F3 N3 -
Comments: 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 14(25) (2012) 9006-9015
Space group: P 1 21/n 1
Cell volume: 972.5
Cell parameters: 14.0909; 4.8932; 14.1826; 90; 96.014; 90;  

COD ID: 7208129
CIF file Formula: - C9 H6 F3 N3 -
Comments: 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 14(25) (2012) 9006-9015
Space group: C 1 2/c 1
Cell volume: 1777.3
Cell parameters: 22.7575; 4.3553; 17.981; 90; 94.239; 90;  

COD ID: 7208407
CIF file Formula: - C21 H26 N5 O14 Sm Zn -
Comments: 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 14(32) (2012) 11448-11456
Space group: P 21 21 21
Cell volume: 2777.92
Cell parameters: 8.8341; 17.4965; 17.9724; 90; 90; 90;  

COD ID: 7208408
CIF file Formula: - C21 H28 N5 O15 Tb Zn -
Comments: 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 14(32) (2012) 11448-11456
Space group: P -1
Cell volume: 1438.3
Cell parameters: 8.895; 13.2908; 13.3864; 83.147; 71.607; 73.388;  

COD ID: 7208409
CIF file Formula: - C21 H28 Gd N5 O15 Zn -
Comments: 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 14(32) (2012) 11448-11456
Space group: P -1
Cell volume: 1442.35
Cell parameters: 8.9096; 13.3969; 13.3013; 83.137; 73.461; 71.472;  

COD ID: 7208589
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 567.491
Cell parameters: 8.61998; 9.10428; 9.1904; 91.9088; 116.676; 114.049;  

COD ID: 7208590
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 567.849
Cell parameters: 8.62043; 9.1067; 9.19145; 91.9171; 116.674; 114.029;  

COD ID: 7208591
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 568.635
Cell parameters: 8.62156; 9.11162; 9.19374; 91.9362; 116.669; 113.98;  

COD ID: 7208592
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 569.92
Cell parameters: 8.62366; 9.11968; 9.19716; 91.9817; 116.649; 113.906;  

COD ID: 7208593
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 571.01
Cell parameters: 8.62499; 9.12773; 9.20087; 92.0011; 116.639; 113.862;  

COD ID: 7208594
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 572.4
Cell parameters: 8.62739; 9.13846; 9.20609; 92.0264; 116.621; 113.829;  

COD ID: 7208595
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 573.91
Cell parameters: 8.6293; 9.15077; 9.21274; 92.0613; 116.601; 113.799;  

COD ID: 7208596
CIF file Formula: - C10 H11 Cl2 N O5 -
Comments: 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 14(35) (2012) 12347-12354
Space group: P -1
Cell volume: 583.72
Cell parameters: 8.66982; 9.21282; 9.26605; 92.6113; 116.65; 113.456;  

COD ID: 7208824
CIF file Formula: - C37 H22 O -
Comments: 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 14(41) (2012) 14224-14228
Space group: P 1 21/n 1
Cell volume: 2494.7
Cell parameters: 9.993; 9.7316; 25.6891; 90; 93.021; 90;  

COD ID: 7208825
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 1253.2
Cell parameters: 14.992; 6.4333; 13.61; 90; 107.306; 90;  

COD ID: 7208826
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 630.6
Cell parameters: 7.74; 6.44; 13.54; 90; 110.88; 90;  

COD ID: 7208827
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 634.7
Cell parameters: 7.77; 6.44; 13.6; 90; 111.14; 90;  

COD ID: 7208828
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 638.95
Cell parameters: 7.7944; 6.4482; 13.655; 90; 111.407; 90;  

COD ID: 7208829
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 639
Cell parameters: 7.79; 6.45; 13.66; 90; 111.41; 90;  

COD ID: 7208830
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 642.7
Cell parameters: 7.82; 6.45; 13.71; 90; 111.66; 90;  

COD ID: 7208831
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 646.9
Cell parameters: 7.84; 6.46; 13.77; 90; 111.94; 90;  

COD ID: 7208832
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 652
Cell parameters: 7.87; 6.47; 13.83; 90; 112.2; 90;  

COD ID: 7208833
CIF file Formula: - C4 H9 N2 O3 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 655.32
Cell parameters: 7.8936; 6.4695; 13.8871; 90; 112.474; 90;  

COD ID: 7208834
CIF file Formula: - C8 H18 N4 O6 -
Comments: 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 14(38) (2012) 13273-13283
Space group: P 1 21/c 1
Cell volume: 655.2
Cell parameters: 7.89; 6.47; 13.89; 90; 112.47; 90;  

COD ID: 7208835
CIF file Formula: - C15 H13 N O4 S6 -
Comments: 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 14(47) (2012) 16229-16235
Space group: P 1 21/n 1
Cell volume: 1909.9
Cell parameters: 8.6319; 10.0114; 22.265; 90; 96.953; 90;  

COD ID: 7208836
CIF file Formula: - C20 H16 N2 O4 S6 -
Comments: 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 14(47) (2012) 16229-16235
Space group: P 1 21/a 1
Cell volume: 2261
Cell parameters: 17.14; 7.7891; 17.338; 90; 102.363; 90;  

COD ID: 7208837
CIF file Formula: - C30 H24 N2 O8 S12 -
Comments: 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 14(47) (2012) 16229-16235
Space group: P -1
Cell volume: 1819.2
Cell parameters: 10.6334; 13.2801; 13.5988; 77.855; 78.677; 79.177;  

COD ID: 7208838
CIF file Formula: - C2 H8 N2 O3 -
Comments: 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 14(46) (2012) 16041-16046
Space group: P 1 21/c 1
Cell volume: 1050.73
Cell parameters: 9.9045; 11.5287; 9.9746; 90; 112.701; 90;  

COD ID: 7208839
CIF file Formula: - C2 H8 N2 O3 -
Comments: 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 14(46) (2012) 16041-16046
Space group: P 1 21/c 1
Cell volume: 1024.02
Cell parameters: 9.8294; 11.4347; 9.8981; 90; 113.007; 90;  

COD ID: 7208840
CIF file Formula: - C2 H8 N2 O3 -
Comments: 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 14(46) (2012) 16041-16046
Space group: P 1 21/c 1
Cell volume: 1014.74
Cell parameters: 9.7872; 11.4041; 9.8847; 90; 113.11; 90;  

COD ID: 7209199
CIF file Formula: - C38 H45 B F2 N2 -
Comments: 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 15(9) (2013) 3186-3195
Space group: P 1 21/c 1
Cell volume: 3087.9
Cell parameters: 14.0557; 11.4779; 19.3737; 90; 98.905; 90;  

COD ID: 7209839
CIF file Formula: - C14 H8 Fe2 O4 -
Comments: 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 15(20) (2013) 7466-7469
Space group: P 1 21/n 1
Cell volume: 1202.1
Cell parameters: 12.6185; 6.6178; 15.435; 90; 111.15; 90;  

COD ID: 7210448
CIF file Formula: - C13 H8 N2 Na O6 S -
Comments: 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 15(32) (2013) 13418-13433
Space group: P b c a
Cell volume: 3030.21
Cell parameters: 11.116; 5.81; 46.919; 90; 90; 90;  

COD ID: 7210449
CIF file Formula: - C15 H20 N3 Na O3 S -
Comments: 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 15(32) (2013) 13418-13433
Space group: P 1 21/c 1
Cell volume: 1759.33
Cell parameters: 15.4283; 9.8446; 12.3063; 90; 109.738; 90;  

COD ID: 7210620
CIF file Formula: - C28 H16 F6 P S4 -
Comments: 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 15(41) (2013) 17818-17822
Space group: P -4 21 c
Cell volume: 1225.4
Cell parameters: 13.4896; 13.4896; 6.7343; 90; 90; 90;  

COD ID: 7210621
CIF file Formula: - C28 H16 F6 P S4 -
Comments: 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 15(41) (2013) 17818-17822
Space group: P -4 21 c
Cell volume: 1193.2
Cell parameters: 13.407; 13.407; 6.638; 90; 90; 90;  

COD ID: 7210622
CIF file Formula: - C73 H10 N4 O S2 -
Comments: 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 15(40) (2013) 17076-17078
Space group: P -1
Cell volume: 1984.6
Cell parameters: 10.118; 13.083; 16.308; 79.427; 89.959; 69.619;  

COD ID: 7210663
CIF file Formula: - C22 H23 N O4 -
Comments: 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 15(5) (2013) 1666-1674
Space group: P -1
Cell volume: 1870.6
Cell parameters: 9.931; 10.078; 19.577; 99.024; 93.008; 103.845;  

COD ID: 7210664
CIF file Formula: - C42 H37 N2 O6 -
Comments: 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 15(6) (2013) 2131-2140
Space group: P 1 21/c 1
Cell volume: 3532.7
Cell parameters: 10.8756; 16.1912; 20.1235; 90; 94.485; 90;  

COD ID: 7210665
CIF file Formula: - C24 H22 Cu2 F6 N4 O10 S2 -
Comments: 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 15(6) (2013) 1966-1975
Space group: P -1
Cell volume: 1480.21
Cell parameters: 8.3587; 11.358; 16.6543; 71.237; 81.473; 86.107;  

COD ID: 7210666
CIF file Formula: - C25 H28 Cl2 Cu2 N4 O12 -
Comments: 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 15(6) (2013) 1966-1975
Space group: P -1
Cell volume: 1491.11
Cell parameters: 8.0321; 11.1208; 16.9976; 87.467; 88.341; 79.509;  

COD ID: 7210667
CIF file Formula: - C26 H30 Cl2 Cu2 N4 O12 -
Comments: 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 15(6) (2013) 1966-1975
Space group: P -1
Cell volume: 1570.45
Cell parameters: 8.4364; 11.008; 17.0555; 94.232; 92.777; 95.28;  

COD ID: 7210668
CIF file Formula: - C26 H30 Cl2 Cu2 N4 O12 -
Comments: 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 15(6) (2013) 1966-1975
Space group: P 1 21/n 1
Cell volume: 3117.1
Cell parameters: 8.2136; 16.5961; 22.9861; 90; 95.828; 90;  

COD ID: 7210669
CIF file Formula: - C29 H35 Cl2 Cu2 N4 O12 -
Comments: 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 15(6) (2013) 1966-1975
Space group: P -1
Cell volume: 1694.1
Cell parameters: 8.66; 12.712; 16.826; 71.42; 89.94; 75.56;  

COD ID: 7210670
CIF file Formula: - C28 H30 Cu2 F6 N4 O10 S2 -
Comments: 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 15(6) (2013) 1966-1975
Space group: P 1 21/n 1
Cell volume: 3510.9
Cell parameters: 9.1312; 17.4262; 22.0653; 90; 90.562; 90;  

COD ID: 7210671
CIF file Formula: - C29 H32 Cu2 F6 N4 O10 S2 -
Comments: 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 15(6) (2013) 1966-1975
Space group: P -1
Cell volume: 1775.5
Cell parameters: 9.1519; 12.255; 16.5318; 104.155; 92.966; 97.551;  

COD ID: 7211270
CIF file Formula: - C20 H19 B F24 N2 O4 -
Comments: 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 15(22) (2013) 8821-8830
Space group: P 1 21 1
Cell volume: 3034.02
Cell parameters: 8.9539; 37.2276; 9.1021; 90; 90.1219; 90;  

COD ID: 7211271
CIF file Formula: - C22 H36 Br I12 N -
Comments: 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 15(12) (2013) 4320-4328
Space group: I 4/m m m
Cell volume: 4384.3
Cell parameters: 16.0167; 16.0167; 17.0905; 90; 90; 90;  

COD ID: 7211272
CIF file Formula: - C22 H36 Cl I12 N -
Comments: 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 15(12) (2013) 4320-4328
Space group: I 4/m m m
Cell volume: 4316.7
Cell parameters: 15.9134; 15.9134; 17.0463; 90; 90; 90;  

COD ID: 7211273
CIF file Formula: - C18 H36 I5 N -
Comments: 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 15(12) (2013) 4320-4328
Space group: P -1
Cell volume: 1380.1
Cell parameters: 9.003; 9.062; 19.036; 81.642; 80.716; 64.652;  

COD ID: 7211274
CIF file Formula: - C2 I4 -
Comments: 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 15(12) (2013) 4320-4328
Space group: P 1 21/c 1
Cell volume: 779.1
Cell parameters: 14.979; 4.3028; 12.748; 90; 108.508; 90;  

COD ID: 7211275
CIF file Formula: - C18 H36 Br I4 N -
Comments: 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 15(12) (2013) 4320-4328
Space group: P -1
Cell volume: 2631.1
Cell parameters: 13.4297; 14.0614; 15.1348; 98.12; 101.36; 106.241;  

COD ID: 7211276
CIF file Formula: - C148 H128 Au8 Cl8 N2 O6 P8 -
Comments: 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 15(11) (2013) 3917-3929
Space group: P -1
Cell volume: 7162.4
Cell parameters: 16.8008; 17.0945; 28.2942; 83.338; 84.698; 62.656;  

COD ID: 7211277
CIF file Formula: - C289 H242 Au22 Cl8 P16 -
Comments: 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 15(11) (2013) 3917-3929
Space group: P 1 21/c 1
Cell volume: 14063.2
Cell parameters: 22.5484; 18.1152; 34.6185; 90; 95.997; 90;  

COD ID: 7211278
CIF file Formula: - C22 H30 N3 Ni S4 -
Comments: 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 15(11) (2013) 4016-4023
Space group: C 1 2/c 1
Cell volume: 2452.4
Cell parameters: 19.838; 8.085; 17.795; 90; 120.77; 90;  

COD ID: 7211279
CIF file Formula: - C14 H14 Cl N2 Ni O5 S4 -
Comments: 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 15(11) (2013) 4016-4023
Space group: P -1
Cell volume: 937.7
Cell parameters: 7.696; 9.276; 14.063; 83.413; 83.083; 70.712;  

COD ID: 7211280
CIF file Formula: - C27 H33 N4 Ni O5 S5 -
Comments: 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 15(11) (2013) 4016-4023
Space group: P 1 21 1
Cell volume: 1576
Cell parameters: 9.049; 11.691; 14.982; 90; 96.088; 90;  

COD ID: 7211281
CIF file Formula: - C96 H72 N4 Na2 O12 -
Comments: 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 15(23) (2013) 9136-9144
Space group: P -1
Cell volume: 3528.8
Cell parameters: 12.897; 17.499; 17.785; 85.433; 69.071; 70.433;  

COD ID: 7211282
CIF file Formula: - C141 H77 Cl2 N5 Na2 O12 -
Comments: 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 15(23) (2013) 9136-9144
Space group: C 1 c 1
Cell volume: 10681.4
Cell parameters: 26.826; 16.3245; 24.427; 90; 93.108; 90;  

COD ID: 7211283
CIF file Formula: - C144 H68 Cl4 N2 P4 -
Comments: 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 15(23) (2013) 9136-9144
Space group: P 1 21/c 1
Cell volume: 4838.4
Cell parameters: 11.9324; 23.1418; 17.7613; 90; 99.424; 90;  

COD ID: 7211284
CIF file Formula: - C86 H42 Cl4 N4 -
Comments: 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 15(23) (2013) 9136-9144
Space group: C 1 2/c 1
Cell volume: 5432.3
Cell parameters: 29.656; 13.5007; 14.8007; 90; 113.549; 90;  

COD ID: 7211285
CIF file Formula: - C51 H44 B Cl6 F2 N5 S -
Comments: 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 15(24) (2013) 9854-9861
Space group: P -1
Cell volume: 2461.4
Cell parameters: 12.8751; 15.0096; 15.4142; 113.342; 107.797; 99.46;  

COD ID: 7211286
CIF file Formula: - C4 H9 O3 Re S -
Comments: 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 15(26) (2013) 10952-10959
Space group: P 1 21 1
Cell volume: 784.3
Cell parameters: 5.7787; 17.0131; 7.9775; 90; 90.043; 90;  

COD ID: 7211287
CIF file Formula: - C39 H24 Bi N3 S6 -
Comments: 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 15(27) (2013) 11554-11558
Space group: P 1 21/n 1
Cell volume: 3383.9
Cell parameters: 16.95; 9.6195; 20.795; 90; 93.618; 90;  

COD ID: 7211288
CIF file Formula: - F1.159 H0.841 Mn O0.841 -
Comments: 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 15(31) (2013) 13061-13069
Space group: P n n 2
Cell volume: 79.54
Cell parameters: 4.7127; 5.203; 3.2439; 90; 90; 90;  

COD ID: 7211289
CIF file Formula: - C25 H24 N2 -
Comments: 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 15(20) (2013) 7848-7853
Space group: P 1 21/c 1
Cell volume: 4040.3
Cell parameters: 9.692; 19.705; 21.494; 90; 100.178; 90;  

COD ID: 7211290
CIF file Formula: - C25 H24 N2 -
Comments: 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 15(20) (2013) 7848-7853
Space group: P 1 21/c 1
Cell volume: 3987.9
Cell parameters: 36.809; 12.205; 8.9185; 90; 95.551; 90;  

COD ID: 7211291
CIF file Formula: - C50 H46 N4 -
Comments: 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 15(20) (2013) 7848-7853
Space group: P 1 21/n 1
Cell volume: 4023
Cell parameters: 12.6166; 12.1515; 26.519; 90; 98.306; 90;  

COD ID: 7211292
CIF file Formula: - C50 H46 N4 O2 -
Comments: 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 15(20) (2013) 7848-7853
Space group: P 1 21/n 1
Cell volume: 1991.21
Cell parameters: 8.8877; 23.4338; 10.4997; 90; 114.417; 90;  

COD ID: 7211293
CIF file Formula: - C50 H46 N4 O2 -
Comments: 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 15(20) (2013) 7848-7853
Space group: C 1 2/c 1
Cell volume: 3981.78
Cell parameters: 18.7885; 10.0808; 21.5264; 90; 102.418; 90;  

COD ID: 7211294
CIF file Formula: - C50 H46 N4 O2 -
Comments: 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 15(20) (2013) 7848-7853
Space group: I 1 2/a 1
Cell volume: 4137.9
Cell parameters: 16.1305; 15.4759; 16.6219; 90; 94.267; 90;  

COD ID: 7211295
CIF file Formula: - C50 H46 N4 O2 -
Comments: 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 15(20) (2013) 7848-7853
Space group: P 1 21/c 1
Cell volume: 8180.7
Cell parameters: 16.0313; 30.9627; 16.5171; 90; 93.792; 90;  

COD ID: 7211296
CIF file Formula: - C50 H46 N4 -
Comments: 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 15(20) (2013) 7848-7853
Space group: P -1
Cell volume: 2004.46
Cell parameters: 12.1735; 12.2821; 15.1686; 111.605; 101.149; 98.891;  

COD ID: 7211297
CIF file Formula: - C27 H15 Cl3 N4 O2 S -
Comments: 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 15(30) (2013) 12660-12666
Space group: P -1
Cell volume: 1218.4
Cell parameters: 7.4931; 10.855; 15.27; 86.57; 88.5; 79.38;  

COD ID: 7211298
CIF file Formula: - B2 H19.69 Mg N5.85 -
Comments: 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 15(25) (2013) 10487-10493
Space group: P -3 1 c
Cell volume: 1298.32
Cell parameters: 13.8385; 13.8385; 7.8284; 90; 90; 120;  

COD ID: 7211299
CIF file Formula: - B H6 Li N -
Comments: 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 15(25) (2013) 10487-10493
Space group: P 21 21 21
Cell volume: 631.95
Cell parameters: 7.693; 11.9132; 6.8954; 90; 90; 90;  

COD ID: 7211300
CIF file Formula: - B3 H16 Li3 N2 -
Comments: 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 15(25) (2013) 10487-10493
Space group: P 1 21 1
Cell volume: 417.8
Cell parameters: 7.8984; 7.0663; 7.4985; 90; 93.339; 90;  

COD ID: 7211301
CIF file Formula: - C24 H18 N4 O3 -
Comments: 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 15(31) (2013) 13013-13023
Space group: P 1 2/c 1
Cell volume: 2035.91
Cell parameters: 27.6303; 4.10757; 19.1097; 90; 110.163; 90;  

COD ID: 7211302
CIF file Formula: - C26 H22 N4 O2 -
Comments: 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 15(31) (2013) 13013-13023
Space group: P 1 21/n 1
Cell volume: 1097.81
Cell parameters: 4.3137; 9.9807; 25.5817; 90; 94.618; 90;  

COD ID: 7211303
CIF file Formula: - C25 H20 N4 O2 -
Comments: 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 15(31) (2013) 13013-13023
Space group: P 1 2/c 1
Cell volume: 2157.8
Cell parameters: 27.4458; 4.3843; 19.1157; 90; 110.267; 90;  

COD ID: 7211304
CIF file Formula: - C12 H9 N2 O -
Comments: 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 15(31) (2013) 13013-13023
Space group: P -1
Cell volume: 486.09
Cell parameters: 4.1838; 9.5677; 12.2486; 96.676; 91.076; 93.139;  

COD ID: 7211305
CIF file Formula: - C35 H51 Ca N5 O19 S3 -
Comments: Spies, Christian; Finkler, Björn; Acar, Nursel; Jung, Gregor Solvatochromism of pyranine-derived photoacids. Physical chemistry chemical physics : PCCP 15(45) (2013) 19893-19905
Space group: P -1
Cell volume: 2159.6
Cell parameters: 9.9974; 13.0768; 18.1443; 98.349; 94.887; 111.453;  

COD ID: 7211306
CIF file Formula: - C8 H12 Ag N5 O3 -
Comments: 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 15(43) (2013) 18934-18943
Space group: P -1
Cell volume: 597.89
Cell parameters: 6.2877; 7.7823; 12.5635; 88.036; 89.839; 76.687;  

COD ID: 7211307
CIF file Formula: - C14 H24 Ag N5 O3 -
Comments: 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 15(43) (2013) 18934-18943
Space group: P 1 21/c 1
Cell volume: 1720.4
Cell parameters: 16.434; 7.8736; 13.8845; 90; 106.748; 90;  

COD ID: 7211308
CIF file Formula: - C30 H60 Ag N5 O5 -
Comments: 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 15(43) (2013) 18934-18943
Space group: P -1
Cell volume: 846.44
Cell parameters: 4.5579; 8.222; 23.099; 89.274; 87.415; 78.188;  

COD ID: 7211309
CIF file Formula: - C20 H19 Cl2 N3 O -
Comments: 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 15(45) (2013) 19845-19852
Space group: F d d 2
Cell volume: 7272.7
Cell parameters: 29.305; 35.039; 7.0828; 90; 90; 90;  

COD ID: 7211310
CIF file Formula: - C26 H18 Cl6 N2 O2 -
Comments: 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 15(45) (2013) 19845-19852
Space group: P -1
Cell volume: 667.18
Cell parameters: 5.6826; 10.3721; 12.1384; 70.264; 89.299; 82.447;  

COD ID: 7211490
CIF file Formula: - C14 H9 N2 P S2 -
Comments: 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 15(47) (2013) 20600-20610
Space group: P b c a
Cell volume: 2581.6
Cell parameters: 14.5748; 7.2463; 24.444; 90; 90; 90;  

COD ID: 7211859
CIF file Formula: - C57.5 H64.25 F12 N9.25 O0.25 P2 Ru -
Comments: 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 12(6) (2010) 1357-1368
Space group: P -1
Cell volume: 5907.8
Cell parameters: 16.6339; 17.8896; 23.0113; 99.969; 102.875; 112.505;  

COD ID: 7211896
CIF file Formula: - C13 H14 N2 -
Comments: 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 12(15) (2010) 3824-3833
Space group: P 21 21 21
Cell volume: 1083.82
Cell parameters: 5.9003; 9.5998; 19.1346; 90; 90; 90;  

COD ID: 7211897
CIF file Formula: - C13 H16 Cl2 N2 -
Comments: 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 12(15) (2010) 3824-3833
Space group: P 1 2/n 1
Cell volume: 678.1
Cell parameters: 6.0828; 4.5346; 24.586; 90; 90.694; 90;  

COD ID: 7211898
CIF file Formula: - C39 H46 Cl2 N6 O -
Comments: 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 12(15) (2010) 3824-3833
Space group: C 1 2 1
Cell volume: 1763.14
Cell parameters: 25.6208; 5.7067; 13.7826; 90; 118.962; 90;  

COD ID: 7212128
CIF file Formula: - C9 H17 I N2 -
Comments: 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 12(8) (2010) 1834-1841
Space group: P b c a
Cell volume: 2276.73
Cell parameters: 13.0165; 9.4458; 18.5173; 90; 90; 90;  

COD ID: 7212135
CIF file Formula: - C19 H20 N8 -
Comments: 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 12(13) (2010) 3195-3202
Space group: P 1 21/c 1
Cell volume: 1839
Cell parameters: 5.8827; 17.349; 18.563; 90; 103.9; 90;  

COD ID: 7212136
CIF file Formula: - C23 H28 N8 -
Comments: 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 12(13) (2010) 3195-3202
Space group: P b c n
Cell volume: 2150.9
Cell parameters: 16.807; 16.647; 7.6875; 90; 90; 90;  

COD ID: 7212137
CIF file Formula: - C35 H43 B N2 Ni O2 -
Comments: 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 12(16) (2010) 4005-4011
Space group: P 1 21/n 1
Cell volume: 3161.8
Cell parameters: 16.834; 12.107; 17.066; 90; 114.63; 90;  

COD ID: 7212147
CIF file Formula: - C9 H20 Cl4 Fe N -
Comments: 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 12(31) (2010) 8919-8925
Space group: P 63 m c
Cell volume: 763.02
Cell parameters: 8.223; 8.223; 13.03; 90; 90; 120;  

COD ID: 7212148
CIF file Formula: - C13 H30 Cl4 Fe N -
Comments: 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 12(31) (2010) 8919-8925
Space group: P c a 21
Cell volume: 3964.5
Cell parameters: 15.366; 14.861; 17.361; 90; 90; 90;  

COD ID: 7212165
CIF file Formula: - C20 H17 F6 N3 O4 S2 -
Comments: 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 12(8) (2010) 1842-1853
Space group: P 1 21/c 1
Cell volume: 2311.3
Cell parameters: 10.807; 15.6746; 13.6445; 90; 90.318; 90;  

COD ID: 7212166
CIF file Formula: - C21 H19 F6 N3 O4 S2 -
Comments: 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 12(8) (2010) 1842-1853
Space group: P 1 21/c 1
Cell volume: 2416.4
Cell parameters: 10.8851; 15.9998; 13.8814; 90; 91.766; 90;  

COD ID: 7212175
CIF file Formula: - C12 H9 Cl N4 -
Comments: 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 12(19) (2010) 5126-5139
Space group: P 1 21/n 1
Cell volume: 1111.26
Cell parameters: 4.9073; 24.24; 9.3569; 90; 93.236; 90;  

COD ID: 7212176
CIF file Formula: - C12 H9 Cl N4 -
Comments: 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 12(19) (2010) 5126-5139
Space group: P 1 21/n 1
Cell volume: 1082.82
Cell parameters: 14.719; 4.9706; 15.8872; 90; 111.317; 90;  

COD ID: 7212177
CIF file Formula: - C12 H9 I N4 -
Comments: 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 12(19) (2010) 5126-5139
Space group: P 1 21/n 1
Cell volume: 1145.09
Cell parameters: 15.2864; 4.9202; 16.7267; 90; 114.466; 90;  

COD ID: 7212202
CIF file Formula: - C10 H23 Cl N2 O Si2 -
Comments: 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 12(8) (2010) 2018-2029
Space group: P 1 21/c 1
Cell volume: 1598.93
Cell parameters: 15.1593; 8.54934; 12.6684; 90; 103.13; 90;  

COD ID: 7212245
CIF file Formula: - O3 Sr Ti -
Comments: 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 12(27) (2010) 7566-7579
Space group: P m -3 m
Cell volume: 59.547
Cell parameters: 3.905; 3.905; 3.905; 90; 90; 90;  

COD ID: 7212280
CIF file Formula: - C23 H31 N O5 -
Comments: 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 12(8) (2010) 2011-2017
Space group: P -1
Cell volume: 1064.2
Cell parameters: 9.051; 9.834; 12.765; 74.69; 89.45; 76.56;  

COD ID: 7212329
CIF file Formula: - C6 H12 I O Re S3 -
Comments: 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 12(31) (2010) 8792-8803
Space group: P 21 21 21
Cell volume: 1231.34
Cell parameters: 8.9219; 10.0914; 13.6763; 90; 90; 90;  

COD ID: 7212330
CIF file Formula: - C8 H17 O Re S4 -
Comments: 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 12(31) (2010) 8792-8803
Space group: P 21 21 21
Cell volume: 1412.62
Cell parameters: 8.1147; 10.5897; 16.4388; 90; 90; 90;  

COD ID: 7212331
CIF file Formula: - C8 H17 O Re S4 -
Comments: 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 12(31) (2010) 8792-8803
Space group: P 1 21/n 1
Cell volume: 1416.9
Cell parameters: 8.1618; 16.1619; 10.9861; 90; 102.115; 90;  

COD ID: 7212338
CIF file Formula: - C57 H54 Cl N4 O12 Rh -
Comments: 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 12(31) (2010) 8968-8976
Space group: P -1
Cell volume: 3140.2
Cell parameters: 10.014; 17.88; 18.207; 101.013; 97.413; 96.628;  

COD ID: 7212339
CIF file Formula: - C50 H42 Cl N4 O5 Rh -
Comments: 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 12(31) (2010) 8968-8976
Space group: C 1 2/c 1
Cell volume: 8640
Cell parameters: 23.601; 9.222; 39.715; 90; 91.825; 90;  

COD ID: 7212400
CIF file Formula: - C43 H34 N4 -
Comments: 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 12(28) (2010) 7772-7774
Space group: P 1 21/a 1
Cell volume: 3396.33
Cell parameters: 16.5817; 11.9938; 17.3483; 90; 100.137; 90;  

COD ID: 7212401
CIF file Formula: - C42 H34 N4 O2 -
Comments: 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 12(28) (2010) 7772-7774
Space group: P 1 21/a 1
Cell volume: 3444.95
Cell parameters: 16.5256; 12.1737; 17.4298; 90; 100.75; 90;  

COD ID: 7212497
CIF file Formula: - C11 H7 N S4 -
Comments: 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 12(33) (2010) 9650-9660
Space group: P 1 21/a 1
Cell volume: 1180.5
Cell parameters: 11.767; 8.302; 12.991; 90; 111.53; 90;  

COD ID: 7212614
CIF file Formula: - C4 H5 F O2 -
Comments: 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 12(37) (2010) 11445-11453
Space group: P 1 21/n 1
Cell volume: 480.53
Cell parameters: 5.2191; 10.1429; 9.1807; 90; 98.605; 90;  

COD ID: 7212697
CIF file Formula: - C15 H14 O -
Comments: 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 12(37) (2010) 11228-11237
Space group: P 1 21/c 1
Cell volume: 1134.27
Cell parameters: 9.4756; 5.6597; 21.2859; 90; 96.472; 90;  

COD ID: 7212709
CIF file Formula: - C12 H26 N2 O4 -
Comments: Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP 12(30) (2010) 8466-8477
Space group: P 1
Cell volume: 360.593
Cell parameters: 5.2357; 5.4251; 13.5733; 87.416; 88.994; 69.431;  

COD ID: 7212710
CIF file Formula: - C10 H22 N2 O4 S -
Comments: Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP 12(30) (2010) 8466-8477
Space group: P 1 21 1
Cell volume: 716.46
Cell parameters: 9.8965; 4.6963; 16.1188; 90; 106.989; 90;  

COD ID: 7212711
CIF file Formula: - C10 H22 N2 O4 -
Comments: Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP 12(30) (2010) 8466-8477
Space group: P 1
Cell volume: 315.93
Cell parameters: 5.1725; 5.3955; 12.3952; 92.631; 94.747; 113.103;  

COD ID: 7212713
CIF file Formula: - C22 H43 Mo12 N5 O40 P Zn4 -
Comments: 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 12(30) (2010) 8632-8639
Space group: P b c a
Cell volume: 15072
Cell parameters: 16.8676; 22.335; 40.007; 90; 90; 90;  

COD ID: 7212737
CIF file Formula: - C43 H45 N O2 S -
Comments: 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 12(44) (2010) 14804-14811
Space group: P -1
Cell volume: 1782.2
Cell parameters: 11.5674; 11.8696; 13.9863; 106.21; 102.5; 94.14;  

COD ID: 7212900
CIF file Formula: - C3 H7 N O3 -
Comments: 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 12(36) (2010) 10818-10830
Space group: P 21 21 2
Cell volume: 415.53
Cell parameters: 9.9244; 10.369; 4.038; 90; 90; 90;  

COD ID: 7212901
CIF file Formula: - C14 H20 B F2 N O2 -
Comments: 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 12(40) (2010) 13126-13136
Space group: P 1 21/n 1
Cell volume: 1380.75
Cell parameters: 6.6681; 21.4324; 9.898; 90; 102.551; 90;  

COD ID: 7212902
CIF file Formula: - C14 H20 B F2 N O2 -
Comments: 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 12(40) (2010) 13126-13136
Space group: P 1 21/n 1
Cell volume: 1380.75
Cell parameters: 6.6681; 21.4324; 9.898; 90; 102.551; 90;  

COD ID: 7212903
CIF file Formula: - C19 H23 Cl N2 O -
Comments: 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 12(45) (2010) 15056-15064
Space group: P 21 21 21
Cell volume: 1787.5
Cell parameters: 8.9347; 12.25; 16.332; 90; 90; 90;  

COD ID: 7212904
CIF file Formula: - C20 H17 N S4 -
Comments: 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 12(43) (2010) 14585-14595
Space group: P 1 21/c 1
Cell volume: 1903
Cell parameters: 17.489; 7.8855; 14.54; 90; 108.37; 90;  

COD ID: 7212905
CIF file Formula: - Ca9.8 Cd0.2 O26 P6 -
Comments: 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 12(47) (2010) 15490-15500
Space group: P 63/m
Cell volume: 530.38
Cell parameters: 9.432573; 9.432573; 6.883337; 90; 90; 120;  

COD ID: 7212906
CIF file Formula: - Ca8.77 Cd1.23 O26 P6 -
Comments: 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 12(47) (2010) 15490-15500
Space group: P 63/m
Cell volume: 527.93
Cell parameters: 9.422709; 9.422709; 6.865845; 90; 90; 120;  

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

COD ID: 7215121
CIF file Formula: - C6 H10 K Li2 Mo N O11 -
Comments: 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 14(44) (2012) 15579-15592
Space group: P 1 21/c 1
Cell volume: 1390.3
Cell parameters: 7.9807; 8.5886; 20.424; 90; 96.724; 90;  

COD ID: 7215122
CIF file Formula: - C6 H10 Li2 Mo N O11 Rb -
Comments: 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 14(44) (2012) 15579-15592
Space group: P 1 21/c 1
Cell volume: 1415.61
Cell parameters: 7.9395; 8.6813; 20.6799; 90; 96.707; 90;  

COD ID: 7215123
CIF file Formula: - C12 H12 Cs2 Li4 Mo2 N2 O22 -
Comments: 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 14(44) (2012) 15579-15592
Space group: P 1 2/c 1
Cell volume: 1449.9
Cell parameters: 14.0195; 13.7541; 7.7115; 90; 102.829; 90;  

COD ID: 7215124
CIF file Formula: - C15 H10 O2 -
Comments: 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 14(29) (2012) 10187-10195
Space group: P 1 21/n 1
Cell volume: 1025.7
Cell parameters: 3.834; 9.298; 28.774; 90; 90.15; 90;  

COD ID: 7215125
CIF file Formula: - C15 H10 O2 -
Comments: 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 14(29) (2012) 10187-10195
Space group: P 1 21/n 1
Cell volume: 1018.3
Cell parameters: 3.81; 9.29; 28.77; 90; 90.51; 90;  

COD ID: 7215126
CIF file Formula: - C15 H10 O2 -
Comments: 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 14(29) (2012) 10187-10195
Space group: P 1 21/n 1
Cell volume: 1050.7
Cell parameters: 3.879; 9.341; 28.998; 90; 90.53; 90;  

COD ID: 7215127
CIF file Formula: - C13 H10 N2 O -
Comments: 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 14(47) (2012) 16448-16457
Space group: P 1 21/c 1
Cell volume: 1001.18
Cell parameters: 16.8136; 4.719; 12.9222; 90; 102.45; 90;  

COD ID: 7215128
CIF file Formula: - C13 H10 N2 O -
Comments: 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 14(47) (2012) 16448-16457
Space group: P 1 21 1
Cell volume: 479.8
Cell parameters: 3.7658; 22.03; 5.801; 90; 94.516; 90;  

COD ID: 7215190
CIF file Formula: - Ge Li10 P2 S12 -
Comments: Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V. Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12. Physical chemistry chemical physics : PCCP 15(28) (2013) 11620-11622
Space group: P 42/n m c :1
Cell volume: 941.9
Cell parameters: 8.652; 8.652; 12.582; 90; 90; 90;  

COD ID: 7215191
CIF file Formula: - Ge Li10 P2 S12 -
Comments: Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V. Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12. Physical chemistry chemical physics : PCCP 15(28) (2013) 11620-11622
Space group: P 42/n m c :1
Cell volume: 960.8
Cell parameters: 8.719; 8.719; 12.639; 90; 90; 90;  

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


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