The Top According to C1


Three complexity criteria were defined (here...), all techniques confused : total number of independent atoms C1 and number of refined x,y,z parameters Nc for complexity level in the refinememt, C2 for complexity level in structure determination (number of independent atoms obtained from application of direct or Patterson methods : the starting model allowing then completion of the structure determination by Fourier syntheses). More about C1 and C2 is available. Those with letters in the C2 column are structures determined by model building approaches, possibly by locating molecule(s) or fragment(s) in the cell by simulated annealing, Monte Carlo, Genetic Algorithm (...). They are also classified according to C3, C4 and C5 complexity criteria.

A classification of the more complex structures according to Nc gives approximately the same result than according to C1 :

Formula                space group      C1     Nc    C2  radiation
T3R3 Zn-human insulin      R3          1630  4893    MB  Sync
Sapo-40                    P2/n         62    182     9  XC12+Sync
La3Ti5Al15O37              Cc           60    178     5  Sync+N
thiothixene                P21          59    177   GOM  Sync   
(Rb44K4[Si96Zn24O240]. 48H(2)O), VPI-9, 
                           P42/ncm      59    170        Sync
(UO2)3H2(HO3PC6H5)4.H2O    P212121      50    150    11  XC12
Capsaicin                  P21/c        49    147   GOM  Sync   
C24H16O7                   P-1          47    141    14  Sync 
C60Br24(Br2)2              P-1          44     42    MB  Sync
(CH3(CH2)16COO)2CaH2O      P21/c        42    126    MB  Sync
Promazine Hydrochloride    P21/c        41    123   GOM  Sync
[(CH3)2NH2]4Mo6O20.2H2O    P21          38    113     6  XC12
poly(ethylene oxide)3 LiN(SO2CF3)2
                           P21/c        37    111    MC  XC1
MCS-I                      Pca21        36           15 
Y17.33(BO3)4(B2O5)2O16     Cm           32     62     9  XC12
Zr2(NaPO4)4.6H2O           P1           32     93    10  XC12
C11H14N6                   P-1          31     93    MB  XC1
S6C24 (T6)                 P21/a        30     90     G  XC12
Bi(H2O)4(OSO2CF3)3         P21/c        29     87    14  XC1
Ga2(HPO3)3.4H2O            P21          29     86     2  Sync+N
Beta-Ba3AlF9               Pnc2         29     74     7  XC12
[Si32B4O72][N(CH3)4]4      P21/a        28     84    MB  Sync+XC1
C10H16O                    Cmcm         27     81    11  Sync
2(C6H5NH3).Mo3O10.4H2O     Pnma         27     70    18  XC12 
(AlPO4)3.(CH3)4NOH         P21212       26     70     6  XC12
S5C20 (T5)                 P21/a        25     75     G  XC12
Fluorescein                Pn21a        25     75    MC  Sync
a-Zr(OH)2(NO3)2.1.65H2O    P-1          25     75     2  XC1
(NH4)2(Ti3O2)(HPO4)2(PO4)2 P21          25     74    10  XC12
K7Na7Be14P14O56.20H2O      P321         25     63    MB  Sync
beta-Zr(OH)2NO3(2).H2O     P-1          24     72     2  XC1    
Li-3[Co(CN)5].2DMF         P21/n        24     72    MC  Sync
C16H22N6                   P3           24     70    MB  XC1
Mg6Co2D11                  Pnma         24     63        Sync+N
Chlorothiazide-I           P1           23     48    17  Sync
Pb(O3PC6H5)                P-1          22     66     2  XC12
Nb3(NbO)2(PO4)7            C2/c         22     62     7  Sync
Zn[HO3P(C6H4)2PO3H]        P-1          21     63     3  XC12
La4Ti9O24                  Fddd         21     53     2  Sync
Zr2(PO4)(O3PCH2CH2(viologen)CH2CH2PO3)X(3).3H(2)O, X = halide
                           P2/c         20     60     2  XC12+Sync
[HgRu(CO)4]4               P21/n        20     60    MM  XC12
S4C16 (T4)                 P21/a        20     60     G  XC12
[(CH3)4NOH]4Si34.4Al1.6O72 C2/m         20     50    en  SYNC
C6H10N2O2                  P21/n        20     30    MB  XC1
Ti2O(PO4)2(H2O)2           P-1          19     57    15  XC12+Sync+N
C13H17N2O4                 P21/a        19     57    MB  XC1
Fe2V4O13                   P21/c        19     57     6  XC12
C10H19N2O20P3Zr2           P21/c        19     55     3  XC12+Sync
beta-VO(HPO4).2H2O         P-1          18     54    12  XC12
calcined AlPO4-18          C2/c         18     54        XC1   
C9H5O4NSCu.2H2O            P-1          18     54     2  XC1
C16H22Cl4N4Ni2O2           P-1          18     54     2  XC12
MeALPO-36                  C-1          18     54   DLS  XC12
PEO3:LiCF3SO3              P21/a        18     54     A  XC1
alpha-NaCaAlF6             P21/c        18     54    17  XC12
Al2(HPO3)3.4H2O            P21          18     53     7  Sync
BaC2O4 3.5H2O              C2/c         18     52     4  Sync
p-BrC6H4CH2CO2H            P21/n        17     51     1  XC1
Zr2(O3PCH2CH2-viologen-CH2CH2PO3)F6.2H2O
                           P21/c        17     51     2  XC12 
[Si64O128].4C10H17N        I41/amd      17     33     9  Sync
Zr(OH)2(NO3)2.4.7H2O       P-1          16     48     1  XC1
PeO4 : NH4SCN              C2/c         16     48     1  XC1
K2TiSi3O9.H2O              P212121      16     48    16  XC12
(NH4)4(MoO2)4O3(C4H3O5)2   C2           16     43     2  XC1
Fe4V2Mo3O20                P4122        16     42     6  XC12
KCuTa3O9                   Pnc2         16     38     3  XC12
Li29Zr9Nb3O40              Immm         16     20     3  XC1
Ti2O(PO4)2(H2O)2           P-1          15     45    15  XC12
Ca3Hf2Si2O9                P21/c        15     45     1  XC12+N
Li6P6O18                    P21/n        15     45    12  XC12
NiV2O6                     P-1          15     42     9  XC12
Cr8O21                     P-1          15     42    12  XC1+Sync+N
[Pd(NH3)4]Cr2O7            P21/c        15     39     4  XC12
Cu2(OH)3(CH3COO).H2O       P21/m        15     35     3  XC12
[(CH3)4N]4Ge4S10           P-43n        15     33     8  XC1
Sr3La2Ti2O10               P21/m        15     16     G  XC12
1-methylfluorene           P21/n        14     52    MC  XC1
alpha-VO(HPO4).2H2O        P21/c        14     42     5  XC12+N
Cu2WO4                     P-1          14     42     6  XC1+N
LaMo5O8                    P21/a        14     42     6  Sync+N
U(UO2)(PO4)2               P-1          14     42     2  XC1+N
beta-BaAlF5                P21/n        14     42     2  XC12+N
C11H14O3 (ortho-thymotic acid)
                           P21/n        14     42    GA  XC1
gamma-BaAlF5               P21          14     41     2  XC12+N
MoO2(O3PC6H5).H2O          P222         14     41     2  XC12
[Cu(C7H5N2O4)2]n           P21/c        14     39     1  XC12
SiO2 (ITQ-4)               I2/m         14     37    14  Sync
Ti3(PO4)4(H2O)2.NH3        P-1          14     36    14  XC12
gamma-Zn2P2O7                  Pbcm         14     35    14  XC1
RbC5H5-I                   Pbcm         14     34     8  Sync
gamma-CsAlF4               Pnma         14     30     3  XC12
UO2(O3PC6H5).0.7H2O        P6/mcc       14     27     1  XC12
Zr(NaPO4)(HPO4).H2O        P21/c        13     39     2  XC12
Zr(PO4)(H2PO4).2H2O        P21          13     38    MB  XC12
Na2Ca(HPO4)2               P21          13     38    10  XC12
(VO)3(PO4)2.9H2O           P21/n        13     36     8  Sync
ZrKH(PO4)2                 P2/c         13     35     1  XC12
ZrNaH(PO4)2                P2/c         13     35     2  XC12
Bi7F11O5                   C2           13     32     4  XC12
CaZrTi2O7                  C2/c         13     32    MB  XC12
[N(CH3)4]Mo4O12            C2/c         13     25     5  XC12
Sr2Mg3H10                  C2/m         13     24     5  XC1+N
Tl5Ba3Sr5Cu3O19            A2mm         13     13     ?  XC12
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Armel Le Bail