file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4,322,138 | 11.314 | 0.002 | 14.073 | 0.003 | 15.165 | 0.003 | 108.04 | 0.03 | 105.95 | 0.03 | 92.54 | 0.03 | 2,185.3 | 1 | 130 | 2 | 130 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | (Cu^II^)~2~(TPKB-O) . 1.75THF . 0.25H~2~O | - C102 H89 Cu4 N8 O12 - | - C102 H76 Cu4 N8 O12 - | - C102 H76 Cu4 N8 O12 - | 1 | 0.5 | Richard Koerner; Marilyn M. Olmstead; Andrzej Ozarowski; Alan L. Balch | A Linear Tetrapyrrole as a Binucleating Ligand with Copper(II). Coordination beyond the Usual M-N4 Bonding | Inorganic Chemistry | 1,999 | 38 | 3262 | 3263 | 10.1021/ic9901113 | 1.54184 | CuKα | 0.0606 | 0.0551 | null | 0.1551 | 0.1494 | null | null | null | 1.007 | 1.031 | 1.031 | null | null | null | has coordinates | Richard Koerner; Marilyn M. Olmstead; Andrzej Ozarowski; Alan L. Balch
A Linear Tetrapyrrole as a Binucleating Ligand with Copper(II). Coordination beyond the Usual M-N4 Bonding
Inorganic Chemistry
38
(1999)
3262-3263 | 295,969 | 2024-11-17 | 19:08:00 | #------------------------------------------------------------------------------
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2,005,729 | 10.6297 | 0.001 | 6.2597 | 0.0004 | 9.9677 | 0.0007 | 90 | null | 93.034 | 0.007 | 90 | null | 662.31 | 0.09 | 200 | 1 | 200 | 1 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,1,3,3-tetramethylurea | - C5 H12 N2 O - | - C5 H12 N2 O - | - C20 H48 N8 O4 - | 4 | 0.5 | BM1063 | Frampton, C. S.; Parkes, K. E. B. | 1,1,3,3-Tetramethylurea | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3246 | 3248 | 10.1107/S0108270196011146 | 1.54178 | CuKα | 0.0372 | 0.0337 | null | 0.1309 | 0.0994 | null | null | null | 1.064 | 1.084 | 1.084 | null | null | null | has coordinates | Frampton, C. S.; Parkes, K. E. B.
1,1,3,3-Tetramethylurea
Acta Crystallographica Section C
52(12)
(1996)
3246-3248 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,730 | 7.974 | 0.002 | 21.692 | 0.004 | 10.038 | 0.007 | 90 | null | 90 | null | 90 | null | 1,736.3 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C12 H16 B2 Cu F8 N4 - | - C12 H16 B2 Cu F8 N4 - | - C48 H64 B8 Cu4 F32 N16 - | 4 | 0.5 | BM1074 | Narayanan, B.; Bhadbhade, M. M. | Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3049 | 3051 | 10.1107/S0108270196007354 | 0.71073 | MoKα | 0.0628 | 0.0346 | null | 0.1014 | 0.0925 | null | null | null | 0.991 | 1.168 | 1.168 | null | null | null | has coordinates | Narayanan, B.; Bhadbhade, M. M.
Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate)
Acta Crystallographica Section C
52(12)
(1996)
3049-3051 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,731 | 9.625 | 0.003 | 20.989 | 0.003 | 17.653 | 0.002 | 90 | null | 90 | null | 90 | null | 3,566.2 | 1.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C32 H46 N2 O12 Si2 - | - C32 H46 N2 O12 Si2 - | - C128 H184 N8 O48 Si8 - | 4 | 1 | BM1085 | Wang, Z.-G.; Liu, S.-G.; Wang, D.; Sui, X.-M. | An Optically Active Pentacoordinate Silicate: (+)-Bis(triethylammonium) Bis[(<i>R</i>,<i>R</i>)-tartrato(4–)]diphenyldisilicate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3179 | 3181 | 10.1107/S0108270196009432 | 0.71073 | MoKα | null | 0.049 | null | null | 0.064 | null | null | null | null | 2.11 | 2.11 | null | null | null | has coordinates | Wang, Z.-G.; Liu, S.-G.; Wang, D.; Sui, X.-M.
An Optically Active Pentacoordinate Silicate: (+)-Bis(triethylammonium) Bis[(<i>R</i>,<i>R</i>)-tartrato(4–)]diphenyldisilicate
Acta Crystallographica Section C
52(12)
(1996)
3179-3181 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,732 | 12.443 | 0.01 | 13.286 | 0.009 | 13.093 | 0.008 | 90 | null | 108.37 | 0.05 | 90 | null | 2,054 | 3 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilopropylidyne)]diphenol | - C23 H30 N2 O2 - | - C23 H30 N2 O2 - | - C92 H120 N8 O8 - | 4 | 1 | BM1090 | Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H. | Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3199 | 3202 | 10.1107/S0108270196011134 | 0.71073 | MoKα | 0.073 | 0.0453 | null | 0.1052 | 0.0985 | null | null | null | 0.852 | 1.038 | 1.038 | null | null | null | has coordinates | Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.
Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine
Acta Crystallographica Section C
52(12)
(1996)
3199-3202 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,733 | 10.261 | 0.009 | 10.786 | 0.006 | 12.425 | 0.005 | 99.39 | 0.06 | 110.22 | 0.05 | 99.35 | 0.05 | 1,237 | 1.5 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilophenylmethylidyne)]diphenol | - C31 H30 N2 O2 - | - C31 H30 N2 O2 - | - C62 H60 N4 O4 - | 2 | 1 | BM1090 | Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H. | Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3199 | 3202 | 10.1107/S0108270196011134 | 0.71073 | MoKα | 0.0676 | 0.0514 | null | 0.1402 | 0.1259 | null | null | null | 0.95 | 1.08 | 1.08 | null | null | null | has coordinates | Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.
Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine
Acta Crystallographica Section C
52(12)
(1996)
3199-3202 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,734 | 5.806 | 0.001 | 7.714 | 0.002 | 17.081 | 0.003 | 90 | null | 90 | null | 90 | null | 765 | 0.3 | 103 | 2 | 103 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Me-alpha-D lyxopyranoside | Methyl alpha-D lyxopyranoside | - C6 H12 O5 - | - C6 H12 O5 - | - C24 H48 O20 - | 4 | 1 | BM1092 | Evdokimov, A. G.; Frolow, F. | Methyl α-<small>D</small>-Lyxopyranoside | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3218 | 3219 | 10.1107/S0108270196009122 | 0.71073 | MoKα | 0.0599 | 0.0577 | null | 0.1502 | 0.1464 | null | null | null | 1.073 | 1.081 | 1.081 | null | null | null | has coordinates | Evdokimov, A. G.; Frolow, F.
Methyl α-<small>D</small>-Lyxopyranoside
Acta Crystallographica Section C
52(12)
(1996)
3218-3219 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,735 | 9.0659 | 0.0009 | 10.0897 | 0.001 | 10.4858 | 0.001 | 109.35 | 0.011 | 108.26 | 0.011 | 97.64 | 0.01 | 828.86 | 0.18 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 6-ammonio-1H^+^-1,4,8,11-tetraazacyclotridecane-5,7-dione dichloride methanol solvate | - C10 H25 Cl2 N5 O3 - | - C10 H25 Cl2 N5 O3 - | - C20 H50 Cl4 N10 O6 - | 2 | 1 | BM1095 | Mishra, A. K.; Gestin, J. F.; Faivre-Chauvet, A.; Chatal, J. F.; Evain, M. | 6-Ammonio-(1<i>H</i>^+^)-1,4,8,11-tetraazacyclotridecane-5,7-dione Dichloride Methanol Solvate: an Amino-Pendant Tetraazacyclotridecane Derivative | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3100 | 3102 | 10.1107/S0108270196009559 | 0.71073 | MoKα | 0.04 | 0.04 | null | 0.052 | 0.052 | null | null | null | 1.753 | 1.753 | 1.753 | null | null | null | has coordinates | Mishra, A. K.; Gestin, J. F.; Faivre-Chauvet, A.; Chatal, J. F.; Evain, M.
6-Ammonio-(1<i>H</i>^+^)-1,4,8,11-tetraazacyclotridecane-5,7-dione Dichloride Methanol Solvate: an Amino-Pendant Tetraazacyclotridecane Derivative
Acta Crystallographica Section C
52(12)
(1996)
3100-3102 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,736 | 11.911 | 0.009 | 15.794 | 0.008 | 7.468 | 0.014 | 90 | null | 90 | null | 90 | null | 1,405 | 3 | 153 | null | 153 | null | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | - C17 H12 N4 S - | - C17 H12 N4 S - | - C68 H48 N16 S4 - | 4 | 1 | BM1096 | Alves, J. A. C.; Dillon, C. J.; Johnstone, R. A. W. | 5-(2-Naphthyl)thio-1-phenyltetrazole: Chemical Reactivity and Electronic Effects of Conjugation through Sulfur | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3163 | 3165 | 10.1107/S0108270196010839 | 0.71073 | MoKα | null | 0.0594 | null | null | 0.0632 | null | null | null | null | 1.746 | 1.746 | null | null | null | has coordinates | Alves, J. A. C.; Dillon, C. J.; Johnstone, R. A. W.
5-(2-Naphthyl)thio-1-phenyltetrazole: Chemical Reactivity and Electronic Effects of Conjugation through Sulfur
Acta Crystallographica Section C
52(12)
(1996)
3163-3165 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,737 | 7.7176 | 0.0016 | 17.328 | 0.004 | 7.8162 | 0.0015 | 90 | null | 93.62 | 0.016 | 90 | null | 1,043.2 | 0.4 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 9α-fluoro-11β-hydroxy-21-methoxy-16α-methyl-pregna-1,4-diene-3,20,21-trione | - C23 H29 F O5 - | - C23 H29 F O5 - | - C46 H58 F2 O10 - | 2 | 1 | BM1097 | Negriolli, J.; Evain, M.; André, F. | A Corticosteroid Ester | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3102 | 3104 | 10.1107/S0108270196009444 | 0.71073 | MoKα | 0.059 | 0.059 | null | 0.059 | 0.059 | null | null | null | 1.421 | 1.421 | 1.421 | null | null | null | has coordinates | Negriolli, J.; Evain, M.; André, F.
A Corticosteroid Ester
Acta Crystallographica Section C
52(12)
(1996)
3102-3104 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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4,322,137 | 14.547 | 0.006 | 22.868 | 0.006 | 30.659 | 0.01 | 90 | null | 90 | null | 90 | null | 10,199 | 6 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C58 H44 Cu F6 N4 P - | - C58 H44 Cu F6 N4 P - | - C464 H352 Cu8 F48 N32 P8 - | 8 | 1 | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin | Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes | Inorganic Chemistry | 1,999 | 38 | 3414 | 3422 | 10.1021/ic9900399 | 0.71073 | MoKα | 0.191 | 0.0943 | null | 0.2745 | 0.2044 | null | null | null | 1.026 | 1.132 | 1.132 | null | null | null | has coordinates,has disorder | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin
Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes
Inorganic Chemistry
38
(1999)
3414-3422 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,005,738 | 10.806 | 0.001 | 21.947 | 0.004 | 9.614 | 0.004 | 90 | null | 90 | null | 90 | null | 2,280 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (S),(E)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide | - C27 H25 N O4 - | - C27 H25 N O4 - | - C108 H100 N4 O16 - | 4 | 1 | BM1098 | Nastopoulos, V.; Athanassopoulos, C.; Papaioannou, D.; Gavuzzo, E. | (<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3227 | 3229 | 10.1107/S0108270196011158 | 1.5418 | CuKα | 0.0406 | 0.0347 | null | 0.0977 | 0.0963 | null | null | null | 1.045 | 1.075 | 1.075 | null | null | null | has coordinates | Nastopoulos, V.; Athanassopoulos, C.; Papaioannou, D.; Gavuzzo, E.
(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide
Acta Crystallographica Section C
52(12)
(1996)
3227-3229 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,739 | 6.276 | 0.001 | 15.232 | 0.001 | 16.616 | 0.002 | 90 | null | 90 | null | 90 | null | 1,588.4 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Z-N-formylnornuciferin | 4,5,6a,7-tetrahydro-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde | - C19 H19 N O3 - | - C19 H19 N O3 - | - C76 H76 N4 O12 - | 4 | 1 | BM1101 | Simonsen, O.; Singh, S. K.; Wengel, J.; Parmar, V. S. | (<i>Z</i>)-<i>N</i>-Formylnornuciferin Isolated from <i>Piper argyrophylum</i> | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3195 | 3196 | 10.1107/S0108270196010360 | 0.71073 | MoKα | 0.095 | 0.041 | null | 0.03 | 0.028 | null | null | null | 2.131 | 2.484 | 2.484 | null | null | null | has coordinates | Simonsen, O.; Singh, S. K.; Wengel, J.; Parmar, V. S.
(<i>Z</i>)-<i>N</i>-Formylnornuciferin Isolated from <i>Piper argyrophylum</i>
Acta Crystallographica Section C
52(12)
(1996)
3195-3196 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,740 | 12.454 | 0.007 | 11.382 | 0.008 | 17.841 | 0.007 | 90 | null | 90 | null | 90 | null | 2,529 | 2 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 1,3-diphenyl-4-imidazoline-2-thione | - C15 H12 N2 S - | - C15 H12 N2 S - | - C120 H96 N16 S8 - | 8 | 1 | BM1103 | Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N. | 1,3-Diphenyl-4-imidazoline-2-thione | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3152 | 3154 | 10.1107/S0108270196010931 | 0.71073 | MoKα | 0.0941 | 0.0492 | null | 0.1075 | 0.0971 | null | null | null | 0.82 | 1.032 | 1.032 | null | null | null | has coordinates | Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N.
1,3-Diphenyl-4-imidazoline-2-thione
Acta Crystallographica Section C
52(12)
(1996)
3152-3154 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,741 | 8.518 | 0.002 | 16.514 | 0.003 | 17.25 | 0.003 | 90 | null | 90 | null | 90 | null | 2,426.5 | 0.8 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 5R-(2,3,4-Tri-O-acetyl-β-D-xylopyranosyl)-5-(2,3-O-isopropylidene- 1-O-methyl-α-D-lyxo-tetrafuranos-4-yl)-4,5-dihydroisoxazole | - C22 H31 N O12 - | - C22 H31 N O12 - | - C88 H124 N4 O48 - | 4 | 1 | BM1111 | Ferguson, W. J.; Parsons, S.; Paton, R. M. | The Major Isoxazoline Cycloadduct from Reaction of a Xylopyranosylnitrile Oxide with a Hex-5-enopyranoside | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3067 | 3069 | 10.1107/S010827019601178X | 1.54184 | CuKα | 0.0827 | 0.0569 | null | 0.1226 | 0.1073 | null | null | null | 1.065 | 1.076 | 1.076 | null | null | null | has coordinates | Ferguson, W. J.; Parsons, S.; Paton, R. M.
The Major Isoxazoline Cycloadduct from Reaction of a Xylopyranosylnitrile Oxide with a Hex-5-enopyranoside
Acta Crystallographica Section C
52(12)
(1996)
3067-3069 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,742 | 14.8887 | 0.001 | 20.4239 | 0.0013 | 7.1847 | 0.0005 | 90 | null | 100.743 | 0.002 | 90 | null | 2,146.5 | 0.2 | 160 | 2 | 160 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | methyl 8-chlorobicyclo[7.1.0]deca-1,8-dien-4-yn-2-carboxylate | - C12 H11 Cl O2 - | - C12 H11 Cl O2 - | - C96 H88 Cl8 O16 - | 8 | 2 | BM1113 | Clegg, W.; Al Dulayymi, A. R.; Baird, M. S. | A Strained Cyclononadienyne | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3219 | 3222 | 10.1107/S0108270196012152 | 0.71073 | MoKα | 0.0824 | 0.0454 | null | 0.1133 | 0.0999 | null | null | null | 1.02 | 1.109 | 1.109 | null | null | null | has coordinates | Clegg, W.; Al Dulayymi, A. R.; Baird, M. S.
A Strained Cyclononadienyne
Acta Crystallographica Section C
52(12)
(1996)
3219-3222 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,743 | 10.076 | 0.001 | 10.076 | 0.001 | 6.807 | 0.001 | 90 | null | 90 | null | 120 | null | 598.4 | 0.2 | 296 | 2 | null | null | null | null | null | null | 4 | P 63/m | -P 6c | 176 | - As3 Ca5 Cl O12 - | - As3 Ca5 Cl O12 - | - As6 Ca10 Cl2 O24 - | 2 | 0.166667 | Chlorapatite: Ca~5~(AsO~4~)~3~Cl | Acta Crystallographica C | 1,996 | 52 | 2959 | 2960 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates |
Chlorapatite: Ca~5~(AsO~4~)~3~Cl
Acta Crystallographica C
52
(1996)
2959-2960 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
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2,005,744 | 7.004 | 0.001 | 5.374 | 0.0008 | 8.691 | 0.001 | 90 | null | 110.18 | 0.01 | 90 | null | 307.04 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | sodium yttrium diphosphate | - Na O7 P2 Y - | - Na O7 P2 Y - | - Na2 O14 P4 Y2 - | 2 | 1 | BR1148 | Hamady, A.; Jouini, T. | NaYP~2~O~7~ | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2949 | 2951 | 10.1107/S0108270196009626 | 0.71069 | MoKα | 0.0718 | 0.0425 | null | 0.1023 | 0.091 | null | null | null | 1.087 | 1.159 | 1.159 | null | null | null | has coordinates | Hamady, A.; Jouini, T.
NaYP~2~O~7~
Acta Crystallographica Section C
52(12)
(1996)
2949-2951 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,005,745 | 15.555 | 0.002 | 7.5692 | 0.0006 | 17.362 | 0.007 | 90 | null | 90.598 | 0.014 | 90 | null | 2,044.1 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Rubidium Indium Antimonide | Dirubidium phyllo-triantimonododiindate | - In2 Rb2 Sb3 - | - In2 Rb2 Sb3 - | - In16 Rb16 Sb24 - | 8 | 2 | BR1152 | Gourdon, O.; Boucher, F.; Gareh, J.; Evain, M.; O'Connor, C.; Jin-Seung, J. | Rubidium Indium Antimonide, Rb~2~In~2~Sb~3~ | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2963 | 2964 | 10.1107/S0108270196010104 | 0.56086 | AgKα | 0.1039 | 0.0388 | null | 0.0732 | 0.0637 | null | null | null | 0.699 | 0.874 | 0.874 | null | null | null | has coordinates | Gourdon, O.; Boucher, F.; Gareh, J.; Evain, M.; O'Connor, C.; Jin-Seung, J.
Rubidium Indium Antimonide, Rb~2~In~2~Sb~3~
Acta Crystallographica Section C
52(12)
(1996)
2963-2964 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,746 | 12.632 | 0.003 | 13.618 | 0.002 | 7.2249 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,242.8 | 0.4 | 292 | null | 292 | null | null | null | null | null | 7 | P n m a | -P 2ac 2n | 62 | Gadolinium potassium iron hexacyanide trihydrate | Gadolinium potassium hexacyanoferrate (II) trihydrate | - C6 H6 Fe Gd K N6 O3 - | - C6 Fe Gd K N6 O3 - | - C24 Fe4 Gd4 K4 N24 O12 - | 4 | 0.5 | BR1153 | Mullica, D. F.; Ward, J. L.; Sappenfield, E. L. | Gadolinium Potassium Hexacyanoferrate(II) Trihydrate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2956 | 2959 | 10.1107/S0108270196010840 | 0.71073 | MoKα | 0.027 | 0.023 | null | 0.407 | 0.043 | null | null | null | null | 1.165 | 1.165 | null | null | null | has coordinates | Mullica, D. F.; Ward, J. L.; Sappenfield, E. L.
Gadolinium Potassium Hexacyanoferrate(II) Trihydrate
Acta Crystallographica Section C
52(12)
(1996)
2956-2959 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,747 | 13.904 | 0.002 | 17.525 | 0.002 | 13.406 | 0.002 | 90 | null | 95.964 | 0.006 | 90 | null | 3,248.9 | 0.8 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | Tris(N,N-diethyldithiocarbamato-S,S')nickel(IV) 1,1,2,3,3-pentacyanopropenide | - C23 H30 N8 Ni S6 - | - C23 H20 N8 Ni S6 - | - C92 H80 N32 Ni4 S24 - | 4 | 1 | CF1075 | Chen, W.; Li, H.; Zhong, Z.-J.; Zhang, K.; You, X.-Z. | Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(IV) 1,1,2,3,3-Pentacyanopropenide | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3030 | 3033 | 10.1107/S0108270196009663 | 0.71073 | MoKα | 0.0544 | 0.0443 | null | 0.1063 | 0.0994 | null | null | null | 1.083 | 1.101 | 1.101 | null | null | null | has coordinates | Chen, W.; Li, H.; Zhong, Z.-J.; Zhang, K.; You, X.-Z.
Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(IV) 1,1,2,3,3-Pentacyanopropenide
Acta Crystallographica Section C
52(12)
(1996)
3030-3033 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,748 | 25.348 | 0.003 | 7.8824 | 0.0007 | 11.928 | 0.001 | 90 | null | 96.8 | 0.02 | 90 | null | 2,366.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | C24 H29 O9 Cl | 18-chloro,4α-hydroxy derivative of 19-acetylteupolin IV | - C24 H29 Cl O9 - | - C24 H29 Cl O9 - | - C96 H116 Cl4 O36 - | 4 | 1 | CF1084 | An 18-Chloro-4α-hydroxy Derivative of 19-Acetylteupolin IV: a Neo-clerodane Diterpenoid of Biological Interest | Acta Crystallographica C | 1,996 | 52 | 3157 | 3159 | 10.1107/S0108270196009110 | 1.5418 | CuKα | 0.0554 | 0.0522 | null | 0.1322 | 0.1288 | null | null | null | 1.016 | 1.05 | 1.05 | null | null | null | has coordinates |
An 18-Chloro-4α-hydroxy Derivative of 19-Acetylteupolin IV: a Neo-clerodane Diterpenoid of Biological Interest
Acta Crystallographica C
52
(1996)
3157-3159 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
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2,005,749 | 20.074 | 0.004 | 14.331 | 0.003 | 23.334 | 0.005 | 90 | null | 106.77 | 0.03 | 90 | null | 6,427 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(hexafluoroacetylacetonato)barium^.^(pentaglyme) | Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)barium^.^(2,5,8,11,14,17- hexaoxaoctadecane) | - C22 H28 Ba F12 O10 - | - C22 H28 Ba F12 O10 - | - C176 H224 Ba8 F96 O80 - | 8 | 1 | CF1089 | Motevalli, M.; O'Brien, P.; Watson, I. M. | Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)(2,5,8,11,14,17-hexaoxaoctadecane)barium | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3028 | 3030 | 10.1107/S0108270196011122 | 0.71073 | MoKα | 0.0455 | 0.037 | null | 0.1108 | 0.106 | null | null | null | 1.07 | 1.107 | 1.107 | null | null | null | has coordinates | Motevalli, M.; O'Brien, P.; Watson, I. M.
Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)(2,5,8,11,14,17-hexaoxaoctadecane)barium
Acta Crystallographica Section C
52(12)
(1996)
3028-3030 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,136 | 13.327 | 0.007 | 14.114 | 0.007 | 15.175 | 0.005 | 87.23 | 0.04 | 66.48 | 0.03 | 61.84 | 0.04 | 2,273 | 2 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C56 H32 Cu F6 N4 P - | - C56 H32 Cu F6 N4 P - | - C112 H64 Cu2 F12 N8 P2 - | 2 | 1 | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin | Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes | Inorganic Chemistry | 1,999 | 38 | 3414 | 3422 | 10.1021/ic9900399 | 0.71073 | MoKα | 0.0678 | 0.0547 | null | 0.1599 | 0.1445 | null | null | null | 1.021 | 1.041 | 1.041 | null | null | null | has coordinates | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin
Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes
Inorganic Chemistry
38
(1999)
3414-3422 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,005,750 | 12.334 | 0.002 | 11.742 | 0.003 | 13.236 | 0.002 | 90 | null | 116.9 | 0.01 | 90 | null | 1,709.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 6-(N'-Benzoylimino)-5H-benzimidazo[2,1-b][1,3,5]benzothiadiazepine | - C21 H14 N4 O S - | - C21 H14 N4 O S - | - C84 H56 N16 O4 S4 - | 4 | 1 | CF1101 | Song, C. E.; Jin, B. W.; Jeong, J. H. | 12-(<i>N</i>-Benzoylimino)-11,12-dihydrobenzimidazo[2,1-<i>b</i>][1,3,5]benzothiadiazepine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3131 | 3133 | 10.1107/S0108270196009249 | 0.71073 | MoKα | 0.0738 | 0.0613 | null | 0.1126 | 0.1068 | null | null | null | 1.148 | 1.172 | 1.172 | null | null | null | has coordinates | Song, C. E.; Jin, B. W.; Jeong, J. H.
12-(<i>N</i>-Benzoylimino)-11,12-dihydrobenzimidazo[2,1-<i>b</i>][1,3,5]benzothiadiazepine
Acta Crystallographica Section C
52(12)
(1996)
3131-3133 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,751 | 5.739 | 0.001 | 7.621 | 0.002 | 36.561 | 0.005 | 90 | null | 90 | null | 90 | null | 1,599.1 | 0.6 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C18 H14 Cl N S - | - C18 H14 Cl N S - | - C72 H56 Cl4 N4 S4 - | 4 | 1 | (E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile | Acta Crystallographica C | 1,996 | 52 | 2945 | 2947 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates |
(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile
Acta Crystallographica C
52
(1996)
2945-2947 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,752 | 9.841 | 0.001 | 21.845 | 0.002 | 13.015 | 0.003 | 90 | 0.2 | 94.43 | 0.05 | 90 | 0.3 | 2,789.6 | 0.8 | 294 | null | 294 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C27 H28 Cl2 N6 O4 - | - C28 H23 Cl2 N6 O4 - | - C112 H92 Cl8 N24 O16 - | 4 | 1 | CF1108 | Hasnaoui, A.; El Messaoudi, M.; Lavergne, J. P.; Giorgi, M.; Pierrot, M. | A Strained Tricyclic Product of a Dipolar 1,3-Cycloaddition Reaction of Diazepine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3213 | 3215 | 10.1107/S0108270196009675 | 0.71073 | MoKα | 0.144 | 0.057 | null | null | 0.082 | null | null | null | null | 2.885 | 2.885 | null | null | null | has coordinates | Hasnaoui, A.; El Messaoudi, M.; Lavergne, J. P.; Giorgi, M.; Pierrot, M.
A Strained Tricyclic Product of a Dipolar 1,3-Cycloaddition Reaction of Diazepine
Acta Crystallographica Section C
52(12)
(1996)
3213-3215 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,005,753 | 9.414 | 0.001 | 10.339 | 0.002 | 14.675 | 0.002 | 90 | null | 102.1 | 0.02 | 90 | null | 1,396.6 | 0.4 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | penicillin V benzhydryl ester sulfoxide | diphenylmethyl 3,3-dimethyl- 7-oxo-6-phenoxyacetamido-4-thia-1-azabicylo[3.2.0] heptane-2-carboxylate-4-oxide monohydrate | - C29 H30 N2 O7 S - | - C29 H30 N2 O7 S - | - C58 H60 N4 O14 S2 - | 2 | 1 | CF1116 | Yoon, T.-S.; Shin, W. | Penicillin V Benzhydryl Ester Sulfoxide Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3142 | 3144 | 10.1107/S0108270196009250 | 1.5418 | CuKα | 0.0479 | 0.0341 | null | 0.0905 | 0.0854 | null | null | null | 1.069 | 1.077 | 1.077 | null | null | null | has coordinates | Yoon, T.-S.; Shin, W.
Penicillin V Benzhydryl Ester Sulfoxide Monohydrate
Acta Crystallographica Section C
52(12)
(1996)
3142-3144 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,754 | 23.896 | 0.002 | 10.608 | 0.004 | 20.173 | 0.003 | 90 | null | 114.218 | 0.006 | 90 | null | 4,663.6 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H25 B10 P - | - C20 H25 B10 P - | - C160 H200 B80 P8 - | 8 | 2 | CF1123 | McWhannell, M. A.; Rosair, G. M.; Welch, A. J.; Teixidor, F.; Viñas, C. | 1-Diphenylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3135 | 3138 | 10.1107/S0108270196009109 | 0.71073 | MoKα | 0.1776 | 0.0689 | null | 0.181 | 0.1294 | null | null | null | 0.988 | 1.101 | 1.101 | null | null | null | has coordinates | McWhannell, M. A.; Rosair, G. M.; Welch, A. J.; Teixidor, F.; Viñas, C.
1-Diphenylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
52(12)
(1996)
3135-3138 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,755 | 9.747 | 0.002 | 5.747 | 0.001 | 18.971 | 0.004 | 90 | null | 91.08 | 0.03 | 90 | null | 1,062.5 | 0.4 | 205 | 2 | 205 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | N-Benzyl-1-deoxy-1-(2-furyl)-1-(hydroxiamino)-2,3:4,5-di- O-isopropylidene-L-manno-pentitol | - C22 H29 N O6 - | - C22 H29 N O6 - | - C44 H58 N2 O12 - | 2 | 1 | CF1124 | Merino, P.; Junquera, F.; Merchan, F. L.; Tejero, T. | Chiral Hydroxylamines. III. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-1-(2-furyl)-2,3:4,5-di-<i>O</i>-isopropylidene-<small>L</small>-<i>manno</i>-pentitol | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3197 | 3198 | 10.1107/S0108270196009687 | 0.71073 | MoKα | 0.0876 | 0.0732 | null | 0.1824 | 0.1696 | null | null | null | 1.038 | 1.078 | 1.078 | null | null | null | has coordinates | Merino, P.; Junquera, F.; Merchan, F. L.; Tejero, T.
Chiral Hydroxylamines. III. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-1-(2-furyl)-2,3:4,5-di-<i>O</i>-isopropylidene-<small>L</small>-<i>manno</i>-pentitol
Acta Crystallographica Section C
52(12)
(1996)
3197-3198 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,756 | 7.43 | 0.001 | 14.676 | 0.002 | 13.406 | 0.002 | 90 | null | 91.06 | 0.01 | 90 | null | 1,461.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Tetracarbonylbis(pyridino)tungsten(0) | - C14 H10 N2 O4 W - | - C14 H10 N2 O4 W - | - C56 H40 N8 O16 W4 - | 4 | 0.5 | CF1125 | Holzbock, J.; Sawodny, W.; Grosse, E.; Haseidl, M.; Walz, L. | <i>cis</i>-Tetracarbonyldi(pyridine-<i>N</i>)tungsten(0), [W(CO)~4~(py)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3039 | 3040 | 10.1107/S0108270196010128 | 0.71073 | MoKα | 0.022 | 0.0185 | null | 0.0456 | 0.0447 | null | null | null | 1.009 | 1.035 | 1.035 | null | null | null | has coordinates | Holzbock, J.; Sawodny, W.; Grosse, E.; Haseidl, M.; Walz, L.
<i>cis</i>-Tetracarbonyldi(pyridine-<i>N</i>)tungsten(0), [W(CO)~4~(py)~2~]
Acta Crystallographica Section C
52(12)
(1996)
3039-3040 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,757 | 11.628 | 0.002 | 5.5524 | 0.0006 | 23.931 | 0.003 | 90 | null | 96.82 | 0.02 | 90 | null | 1,534.1 | 0.4 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4,4'-Thiodiphenol-piperazine (1/1) | - C16 H20 N2 O2 S - | - C16 H20 N2 O2 S - | - C64 H80 N8 O8 S4 - | 4 | 0.5 | CF1131 | Coupar, P. I.; Ferguson, G.; Glidewell, C. | N—H···pi(arene) Hydrogen Bonding in 4,4'-Thiodiphenol-Piperazine (1/1) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3055 | 3057 | 10.1107/S010827019601013X | 0.7107 | MolybdenumKα | 0.1329 | 0.0543 | null | 0.1155 | 0.0994 | null | null | null | 0.937 | 1.179 | 1.179 | null | null | null | has coordinates | Coupar, P. I.; Ferguson, G.; Glidewell, C.
N—H···pi(arene) Hydrogen Bonding in 4,4'-Thiodiphenol-Piperazine (1/1)
Acta Crystallographica Section C
52(12)
(1996)
3055-3057 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,758 | 17.494 | 0.003 | 9.172 | 0.002 | 17.388 | 0.003 | 90 | null | 116.7 | 0.1 | 90 | null | 2,492 | 2 | 298 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | β-meso (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazzcyclo- tetradecane) Nickel(II) Diperchlorate Monohydrate | - C16 H38 Cl2 N4 Ni O9 - | - C16 H38 Cl2 N4 Ni O9 - | - C64 H152 Cl8 N16 Ni4 O36 - | 4 | 1 | DE1023 | Wang, A.; Lee, T.-J.; Chen, B.-H.; Yuan, Y.-Z.; Chung, C.-S. | β-<i>meso</i>-(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) Diperchlorate Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3033 | 3035 | 10.1107/S0108270196010608 | 0.71069 | MoKα | null | 0.0596 | null | null | 0.0581 | null | null | null | null | 1.81 | 1.81 | null | null | null | has coordinates | Wang, A.; Lee, T.-J.; Chen, B.-H.; Yuan, Y.-Z.; Chung, C.-S.
β-<i>meso</i>-(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) Diperchlorate Monohydrate
Acta Crystallographica Section C
52(12)
(1996)
3033-3035 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,759 | 6.06 | 0.002 | 7.185 | 0.003 | 16.872 | 0.006 | 101.44 | 0.03 | 91.93 | 0.03 | 86.93 | 0.04 | 718.8 | 0.5 | 298 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C19 H13 N O3 - | - C19 H13 N O3 - | - C38 H26 N2 O6 - | 2 | 1 | DE1029 | Raj, S. S. S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S. | 1-(2-Naphthyl)-3-(4-nitrophenyl)prop-2-en-1-one | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3145 | 3146 | 10.1107/S0108270196009377 | 1.54184 | CuKα | null | 0.058 | null | null | 0.064 | null | null | null | null | 2.16 | 2.16 | null | null | null | has coordinates | Raj, S. S. S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.
1-(2-Naphthyl)-3-(4-nitrophenyl)prop-2-en-1-one
Acta Crystallographica Section C
52(12)
(1996)
3145-3146 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,135 | 23.096 | 0.006 | 23.387 | 0.006 | 17.873 | 0.007 | 90 | null | 100.08 | 0.01 | 90 | null | 9,505 | 5 | 295 | 2 | 295 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C54.63 H45.5 Cu F6 N4 O0.63 P - | - C54.63 H45.5 Cu F6 N4 O0.63 P - | - C437.04 H364 Cu8 F48 N32 O5.04 P8 - | 8 | 1 | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin | Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes | Inorganic Chemistry | 1,999 | 38 | 3414 | 3422 | 10.1021/ic9900399 | 0.71073 | MoKα | 0.0946 | 0.0602 | null | 0.1753 | 0.1453 | null | null | null | 1.065 | 1.109 | 1.109 | null | null | null | has coordinates | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin
Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes
Inorganic Chemistry
38
(1999)
3414-3422 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
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2,005,760 | 7.694 | 0.0001 | 11.135 | 0.0001 | 17.6949 | 0.0001 | 90 | null | 101.62 | 0.01 | 90 | null | 1,484.9 | 0.06 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C16 H22 N2 O - | - C16 H22 N2 O - | - C64 H88 N8 O4 - | 4 | 1 | DE1035 | Ganesh, V. K.; Velmurugan, D.; Thiruvalluvar, A.; Parthasarathi, V.; Ramasubbu, N.; Natarajan, D. | 1-Methyl-2-phenyldecahydroquinolin-4-one Oxime | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3177 | 3179 | 10.1107/S0108270196009456 | 1.54184 | CuKα | null | 0.05 | null | null | 0.067 | null | null | null | null | 0.95 | 0.95 | null | null | null | has coordinates | Ganesh, V. K.; Velmurugan, D.; Thiruvalluvar, A.; Parthasarathi, V.; Ramasubbu, N.; Natarajan, D.
1-Methyl-2-phenyldecahydroquinolin-4-one Oxime
Acta Crystallographica Section C
52(12)
(1996)
3177-3179 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,761 | 4.6512 | 0.0016 | 6.3261 | 0.0024 | 7.499 | 0.003 | 101.375 | 0.023 | 105.923 | 0.017 | 101.237 | 0.019 | 200.63 | 0.14 | 293 | null | 293 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - Al2 Fe3 Si3 - | - Al2 Fe3 Si3 - | - Al4 Fe6 Si6 - | 2 | 1 | DU1157 | Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K. | Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2964 | 2967 | 10.1107/S0108270196008694 | 0.71073 | x-ray | 0.068 | 0.056 | null | 0.031 | 0.031 | null | null | null | 1.217 | 1.27 | 1.27 | null | null | null | has coordinates | Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.
Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types
Acta Crystallographica Section C
52(12)
(1996)
2964-2967 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,762 | 3.6687 | 0.0015 | 12.385 | 0.007 | 10.147 | 0.005 | 90 | null | 90 | null | 90 | null | 461 | 0.4 | 293 | null | 293 | null | null | null | null | null | 3 | C m c m | -C 2c 2 | 63 | - Al2 Fe3 Si4 - | - Al2 Fe3 Si4 - | - Al8 Fe12 Si16 - | 4 | 0.25 | DU1157 | Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K. | Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2964 | 2967 | 10.1107/S0108270196008694 | 0.71073 | x-ray | 0.065 | 0.061 | null | 0.039 | 0.039 | null | null | null | 1.638 | 1.685 | 1.685 | null | null | null | has coordinates | Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.
Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types
Acta Crystallographica Section C
52(12)
(1996)
2964-2967 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,763 | 8.648 | 0.002 | 8.8428 | 0.0007 | 12.316 | 0.002 | 90 | null | 90.13 | 0.02 | 90 | null | 941.8 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - In1.5 Li2 Nb0.5 O12 P3 - | - In1.34 Li2 Nb0.66 O12 P3 - | - In5.36 Li8 Nb2.64 O48 P12 - | 4 | 1 | DU1158 | Cieren, X.; Jaulmes, S.; Angenault, J.; Couturier, J. C.; Quarton, M. | La Phase Monoclinique Li~2~Nb~0,5~In~1,5~(PO~4~)~3~ | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2967 | 2969 | 10.1107/S0108270196008153 | 0.71069 | MoKα | null | 0.0527 | null | null | 0.0525 | null | null | null | null | 25.9 | 25.9 | null | null | null | has coordinates | Cieren, X.; Jaulmes, S.; Angenault, J.; Couturier, J. C.; Quarton, M.
La Phase Monoclinique Li~2~Nb~0,5~In~1,5~(PO~4~)~3~
Acta Crystallographica Section C
52(12)
(1996)
2967-2969 | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
#$Revision: 176342 $
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2,005,764 | 24.904 | 0.005 | 6.029 | 0.0012 | 5.164 | 0.001 | 90 | null | 90 | null | 90 | null | 775.4 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | 4-Bromo-2H-1,3-Benzoxazine-2,4(1H)-dione | - C8 H4 Br N O3 - | - C8 H4 Br N O3 - | - C32 H16 Br4 N4 O12 - | 4 | 1 | DU1159 | Lubini, P.; Wouters, J. | 6-Bromo-2<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)-dione at 153K | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3108 | 3110 | 10.1107/S0108270196008888 | 0.71073 | MoKα | 0.0625 | 0.0559 | null | 0.1424 | 0.1343 | null | null | null | 1.026 | 1.02 | 1.02 | null | null | null | has coordinates,has Fobs | Lubini, P.; Wouters, J.
6-Bromo-2<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)-dione at 153K
Acta Crystallographica Section C
52(12)
(1996)
3108-3110 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,765 | 17.479 | 0.004 | 8.929 | 0.002 | 11.959 | 0.003 | 90 | null | 113.1 | 0.2 | 90 | null | 1,717 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Molybdenyl diarseniate de potassium | - As4 K2 Mo3 O20 - | - As4 K2 Mo3 O20 - | - As16 K8 Mo12 O80 - | 4 | 0.5 | DU1162 | Zid, M. F.; Jouini, T. | K~2~MoO~2~(MoO~2~As~2~O~7~)~2~ | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2947 | 2949 | 10.1107/S0108270196008700 | 0.71069 | MoKα | 0.0436 | 0.0303 | null | 0.0744 | 0.067 | null | null | null | 1.106 | 1.108 | 1.108 | null | null | null | has coordinates | Zid, M. F.; Jouini, T.
K~2~MoO~2~(MoO~2~As~2~O~7~)~2~
Acta Crystallographica Section C
52(12)
(1996)
2947-2949 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,005,766 | 4.8366 | 0.0007 | 12.539 | 0.0009 | 9.3207 | 0.0009 | 90 | null | 93.03 | 0.01 | 90 | null | 564.47 | 0.11 | 296 | null | 296 | null | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | sym-Hexahydropyrene | - C16 H16 - | - C16 H16 - | - C32 H32 - | 2 | 0.5 | FG1217 | A. J. Dobson; R. E. Gerkin | <i>sym</i>-Hexahydropyrene | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3086 | 3088 | 10.1107/S0108270196010013 | 0.71073 | MoKα | null | 0.035 | null | null | 0.047 | null | null | null | null | 2.04 | 2.04 | null | null | null | has coordinates | A. J. Dobson; R. E. Gerkin
<i>sym</i>-Hexahydropyrene
Acta Crystallographica Section C
52(12)
(1996)
3086-3088 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,767 | 16.094 | 0.001 | 16.094 | 0.001 | 6.717 | 0.001 | 90 | null | 90 | null | 120 | null | 1,506.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | R 3 :H | R 3 | 146 | Chlorotris(m-methoxyphenyl)Tin(IV) | Chlorotris(m-methoxyphenyl)Tin(IV) | - C21 H21 Cl O3 Sn - | - C21 H21 Cl O3 Sn - | - C63 H63 Cl3 O9 Sn3 - | 3 | 0.333333 | FG1223 | Wharf, I.; Lebuis, A.-M. | Chlorotris(<i>m</i>-methoxyphenyl)tin(IV) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3025 | 3027 | 10.1107/S0108270196012115 | 0.7093 | MoKα | 0.0246 | 0.0244 | null | 0.0522 | 0.0521 | null | null | null | 1.049 | 1.048 | 1.048 | null | null | null | has coordinates | Wharf, I.; Lebuis, A.-M.
Chlorotris(<i>m</i>-methoxyphenyl)tin(IV)
Acta Crystallographica Section C
52(12)
(1996)
3025-3027 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,768 | 8.1693 | 0.0005 | 21.7076 | 0.0012 | 8.375 | 0.0008 | 90 | null | 96.515 | 0.009 | 90 | null | 1,475.6 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (±)-1,11-dimethyl-3,9-dinitro-5,7-dihydrodibenz[c,e]oxepin | - C16 H14 N2 O5 - | - C16 H14 N2 O5 - | - C64 H56 N8 O20 - | 4 | 1 | FG1226 | Roszak, A. W.; Williams, V. E.; Lemieux, R. P. | (±)-1,11-Dimethyl-3,9-dinitro-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3190 | 3193 | 10.1107/S0108270196011900 | 1.54178 | CuKα | 0.073 | 0.0498 | null | 0.1691 | 0.1419 | null | null | null | 1.116 | 1.172 | 1.172 | null | null | null | has coordinates | Roszak, A. W.; Williams, V. E.; Lemieux, R. P.
(±)-1,11-Dimethyl-3,9-dinitro-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine
Acta Crystallographica Section C
52(12)
(1996)
3190-3193 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,769 | 6.4957 | 0.0006 | 24.723 | 0.002 | 5.1393 | 0.0004 | 90 | null | 90 | null | 90 | null | 825.34 | 0.12 | 294 | null | 294 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H7 N3 O2 - | - C8 H7 N3 O2 - | - C32 H28 N12 O8 - | 4 | 1 | FG1227 | Davidson, J. S.; Trotter, J. | 5-(2-Aminophenyl)-1,3,4-oxadiazol-2(3<i>H</i>)-one | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3236 | 3238 | 10.1107/S0108270196011912 | 1.5418 | CuKα | 0.055 | 0.031 | null | 0.049 | 0.041 | null | null | null | 1.6 | 1.51 | 1.51 | null | null | null | has coordinates | Davidson, J. S.; Trotter, J.
5-(2-Aminophenyl)-1,3,4-oxadiazol-2(3<i>H</i>)-one
Acta Crystallographica Section C
52(12)
(1996)
3236-3238 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,770 | 11.963 | 0.001 | 11.963 | 0.001 | 15.282 | 0.002 | 90 | null | 90 | null | 90 | null | 2,187.1 | 0.4 | 296 | null | 296 | null | null | null | null | null | 4 | I 41 c d | I 4bw -2c | 110 | γ-aminobutyric acid | 4-aminobutanoic acid | - C4 H9 N O2 - | - C4 H9 N O2 - | - C64 H144 N16 O32 - | 16 | 1 | FR1001 | Dobson, A. J.; Gerkin, R. E. | γ-Aminobutyric Acid: a Novel Tetragonal Phase | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3075 | 3078 | 10.1107/S0108270196010001 | 0.71073 | MoKα | null | 0.033 | null | null | 0.037 | null | null | null | null | 1.46 | 1.46 | null | null | null | has coordinates | Dobson, A. J.; Gerkin, R. E.
γ-Aminobutyric Acid: a Novel Tetragonal Phase
Acta Crystallographica Section C
52(12)
(1996)
3075-3078 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,771 | 15.962 | 0.002 | 5.218 | 0.002 | 9.613 | 0.002 | 90 | null | 90 | null | 90 | null | 800.7 | 0.4 | 296 | null | 296 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2-acetylbenzoic acid, phthalide form | - C9 H8 O3 - | - C9 H8 O3 - | - C36 H32 O12 - | 4 | 1 | FR1004 | Dobson, A. J.; Gerkin, R. E. | 2-Acetylbenzoic Acid: Phthalide Form | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3078 | 3081 | 10.1107/S0108270196010414 | 0.71073 | MoKα | null | 0.027 | null | null | 0.034 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | Dobson, A. J.; Gerkin, R. E.
2-Acetylbenzoic Acid: Phthalide Form
Acta Crystallographica Section C
52(12)
(1996)
3078-3081 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/57/2005771.cif $
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2,005,772 | 11.342 | 0.001 | 5.517 | 0.001 | 13.823 | 0.001 | 90 | null | 106.39 | 0.01 | 90 | null | 829.81 | 0.18 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | coumarin-3-carboxylic acid | - C10 H6 O4 - | - C10 H6 O4 - | - C40 H24 O16 - | 4 | 1 | FR1005 | Dobson, A. J.; Gerkin, R. E. | Coumarin-3-carboxylic Acid | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3081 | 3083 | 10.1107/S0108270196010852 | 0.71073 | MoKα | null | 0.037 | null | null | 0.045 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Dobson, A. J.; Gerkin, R. E.
Coumarin-3-carboxylic Acid
Acta Crystallographica Section C
52(12)
(1996)
3081-3083 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,773 | 7.46 | 0.001 | 17.118 | 0.003 | 20.707 | 0.003 | 90 | null | 90 | null | 90 | null | 2,644.3 | 0.7 | 296 | null | 296 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Pregnenolone-4-allyloxybenzoate | Pregn-5-en-20-one-3-yl_4-allyloxybenzoate | - C31 H40 O4 - | - C31 H40 O4 - | - C124 H160 O16 - | 4 | 1 | HA1161 | Tomlin, D. W.; Bunning, T. J.; McHugh, C. M.; Adams, W. W. | Oxopregnenyl 4-Allyloxybenzoate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3181 | 3183 | 10.1107/S0108270196005562 | 0.71073 | MoKα | null | 0.079 | null | null | 0.053 | null | null | null | null | 2.473 | 2.473 | null | null | null | has coordinates | Tomlin, D. W.; Bunning, T. J.; McHugh, C. M.; Adams, W. W.
Oxopregnenyl 4-Allyloxybenzoate
Acta Crystallographica Section C
52(12)
(1996)
3181-3183 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,774 | 33.01 | 0.03 | 7.915 | 0.004 | 7.096 | 0.004 | 90 | null | 90 | null | 90 | null | 1,854 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (S)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine (S)-mandelic acid salt | - C20 H25 N O5 - | - C20 H25 N O5 - | - C80 H100 N4 O20 - | 4 | 1 | HA1167 | Fantucci, M.; Montanari, S.; Santangelo, F.; Ianelli, S.; Nardelli, M. | (<i>S</i>)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine– <small>L</small>-(+)-Mandelic Acid (1/1): the Absolute Configuration of a Precursor of the Active Stereoisomer of 5,6-ADTN, an Important Dopaminergic Agonist | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3147 | 3150 | 10.1107/S0108270196009614 | 1.54178 | CuKα | 0.072 | 0.0302 | null | 0.0768 | 0.0602 | null | null | null | 1.027 | 1.099 | 1.099 | null | null | null | has coordinates | Fantucci, M.; Montanari, S.; Santangelo, F.; Ianelli, S.; Nardelli, M.
(<i>S</i>)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine– <small>L</small>-(+)-Mandelic Acid (1/1): the Absolute Configuration of a Precursor of the Active Stereoisomer of 5,6-ADTN, an Important Dopaminergic Agonist
Acta Crystallographica Secti... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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4,322,134 | 11.854 | 0.003 | 14.705 | 0.003 | 15.866 | 0.004 | 107.81 | null | 106.72 | null | 97.56 | null | 2,447.6 | 1 | 187 | 2 | 187 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C56 H50 Cu F6 N4 O P - | - C56 H50 Cu F6 N4 O P - | - C112 H100 Cu2 F12 N8 O2 P2 - | 2 | 1 | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin | Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes | Inorganic Chemistry | 1,999 | 38 | 3414 | 3422 | 10.1021/ic9900399 | 0.71073 | MoKα | 0.1149 | 0.0752 | null | 0.2348 | 0.1909 | null | null | null | 1.016 | 1.013 | 1.013 | null | null | null | has coordinates,has disorder | Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin
Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes
Inorganic Chemistry
38
(1999)
3414-3422 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
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2,005,775 | 10.246 | 0.003 | 16.104 | 0.005 | 10.462 | 0.005 | 90 | null | 106.94 | 0.02 | 90 | null | 1,651.3 | 1.1 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H18 N2 O2 S3 - | - C16 H18 N2 O2 S3 - | - C64 H72 N8 O8 S12 - | 4 | 1 | HA1177 | Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M. | 4,7-Bis(2-thiophenoyl)-1-thia-4,7-diazacyclononane | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3062 | 3064 | 10.1107/S0108270196012012 | 0.71073 | MoKα | 0.0445 | 0.0317 | null | 0.0895 | 0.0746 | null | null | null | 1.073 | 1.059 | 1.059 | null | null | null | has coordinates,has disorder | Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.
4,7-Bis(2-thiophenoyl)-1-thia-4,7-diazacyclononane
Acta Crystallographica Section C
52(12)
(1996)
3062-3064 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,776 | 7.189 | 0.001 | 7.744 | 0.002 | 9.331 | 0.002 | 90 | 0.02 | 110.32 | 0.04 | 90 | 0.03 | 487.1 | 0.2 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - Li Ni1.5 O7 P2 - | - Li Ni1.5 O7 P2 - | - Li4 Ni6 O28 P8 - | 4 | 1 | JZ1112 | Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M. | A Mixed Nickel‒Lithium Pyrophosphate, LiNi~1.5~P~2~O~7~ | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2960 | 2963 | 10.1107/S0108270196002739 | 0.71073 | MoKα | 0.03 | 0.028 | null | null | 0.04 | null | null | null | null | 1.521 | 1.521 | null | null | null | has coordinates | Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M.
A Mixed Nickel‒Lithium Pyrophosphate, LiNi~1.5~P~2~O~7~
Acta Crystallographica Section C
52(12)
(1996)
2960-2963 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,777 | 13.885 | 0.001 | 13.885 | 0.001 | 26.207 | 0.003 | 90 | null | 90 | null | 90 | null | 5,052.5 | 0.8 | 295 | null | 295 | null | null | null | null | null | 5 | I 41/a :2 | -I 4ad | 88 | - C12 H30 Cd I4 S2 - | - C12 Cd I4 S2 - | - C96 Cd8 I32 S16 - | 8 | 0.5 | JZ1124 | Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, P. H. | Bis(triethylsulfonium) Tetraiodocadmate(II) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3045 | 3047 | 10.1107/S0108270196006956 | 0.7107 | MoKα | null | 0.0486 | null | null | 0.0525 | null | null | null | null | 1.702 | 1.702 | null | null | null | has coordinates | Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, P. H.
Bis(triethylsulfonium) Tetraiodocadmate(II)
Acta Crystallographica Section C
52(12)
(1996)
3045-3047 | 191,977 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $
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2,005,778 | 11.916 | 0.002 | 9.2894 | 0.0013 | 12.835 | 0.002 | 90 | null | 117.607 | 0.011 | 90 | null | 1,259 | 0.4 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 6-amino-1,3-dimethyl-5-(3-penten-2-one-4-yl)-aminouracil | - C11 H16 N4 O3 - | - C11 H16 N4 O3 - | - C44 H64 N16 O12 - | 4 | 1 | JZ1155 | Jimenez-Pulido, S. B.; Low, J. N.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F. | 6-Amino-1,3-dimethyl-5-(4-oxo-2-penten-2-yl)aminouracil | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3110 | 3112 | 10.1107/S0108270196010773 | 0.7107 | MolybdenumKα | 0.1272 | 0.0477 | null | 0.1361 | 0.1164 | null | null | null | 0.929 | 1.216 | 1.216 | null | null | null | has coordinates | Jimenez-Pulido, S. B.; Low, J. N.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.
6-Amino-1,3-dimethyl-5-(4-oxo-2-penten-2-yl)aminouracil
Acta Crystallographica Section C
52(12)
(1996)
3110-3112 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,779 | 6.284 | 0.001 | 23.51 | 0.001 | 9.033 | 0.001 | 90 | null | 101.7 | 0.01 | 90 | null | 1,306.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Tetra(2-pyridinium)pyrazine-tetrachloride-dihydrate | - C24 H24 Cl4 N6 O2 - | - C24 H24 Cl4 N6 O2 - | - C48 H48 Cl8 N12 O4 - | 2 | 0.5 | JZ1156 | Graf, M.; Stoeckli-Evans, H. | Tetraprotonated Tetra(2-pyridyl)pyrazine: Pyrazine-2,3,5,6-tetra(2-pyridinium) Tetrachloride Dihydrate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3073 | 3075 | 10.1107/S0108270196010943 | 0.71073 | MoKα | 0.0505 | 0.0323 | null | 0.0955 | 0.08 | null | null | null | 1.108 | 1.075 | 1.075 | null | null | null | has coordinates | Graf, M.; Stoeckli-Evans, H.
Tetraprotonated Tetra(2-pyridyl)pyrazine: Pyrazine-2,3,5,6-tetra(2-pyridinium) Tetrachloride Dihydrate
Acta Crystallographica Section C
52(12)
(1996)
3073-3075 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,780 | 7.939 | 0.002 | 7.713 | 0.003 | 25.291 | 0.006 | 90 | null | 90 | null | 90 | null | 1,548.7 | 0.8 | 100 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan | - C19 H21 N O3 - | - C19 H21 N O3 - | - C76 H84 N4 O12 - | 4 | 1 | KA1169 | Mahler, C. H.; Stevens, E. D.; Trudell, M. L.; Nolan, S. P. | ({-})-Thebaine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3193 | 3195 | 10.1107/S0108270196005392 | 0.71073 | Mo-Kα | null | 0.042 | null | null | 0.054 | null | null | null | null | 1.874 | 1.874 | null | null | null | has coordinates | Mahler, C. H.; Stevens, E. D.; Trudell, M. L.; Nolan, S. P.
({-})-Thebaine
Acta Crystallographica Section C
52(12)
(1996)
3193-3195 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,781 | 9.4429 | 0.0006 | 11.3908 | 0.0008 | 21.123 | 0.002 | 90 | 0.007 | 90 | 0.008 | 90 | 0.005 | 2,272 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (3S,5S,1'S)-3-benzyl-5-[1'-(tert-butoxycarbonylamino)- -2'-phenylethyl]-4,5-dihydrofuran-2(3H)-one | - C24 H29 N O4 - | - C24 H29 N O4 - | - C96 H116 N4 O16 - | 4 | 1 | KA1190 | Sopková, J.; Vojtísek, P.; Litera, J.; Soucek, M. | (3<i>S</i>,5<i>S</i>,1'<i>S</i>)-3-Benzyl-5-[1'-(<i>tert</i>-butoxycarbonylamino)-2'-phenylethyl]-4,5-dihydrofuran-2(3<i>H</i>)-one | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3165 | 3167 | 10.1107/S0108270196009754 | 0.71073 | MoKα | 0.0709 | 0.0325 | null | 0.0876 | 0.0744 | null | null | null | 1.045 | 1.105 | 1.105 | null | null | null | has coordinates | Sopková, J.; Vojtísek, P.; Litera, J.; Soucek, M.
(3<i>S</i>,5<i>S</i>,1'<i>S</i>)-3-Benzyl-5-[1'-(<i>tert</i>-butoxycarbonylamino)-2'-phenylethyl]-4,5-dihydrofuran-2(3<i>H</i>)-one
Acta Crystallographica Section C
52(12)
(1996)
3165-3167 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,782 | 5.202 | 0.001 | 16.329 | 0.005 | 9.745 | 0.007 | 90 | null | 98.33 | 0.04 | 90 | null | 819 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Zearalenone | - C18 H22 O5 - | - C18 H22 O5 - | - C36 H44 O10 - | 2 | 1 | KA1200 | Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M. | 3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1<i>H</i>-2-benzoxacyclotetradecin-1,7(8<i>H</i>)-dione (Zearalenone) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3095 | 3097 | 10.1107/S0108270196011055 | 1.54178 | CuKα | 0.0653 | 0.0503 | null | 0.0852 | 0.08 | null | null | null | 1.166 | 1.287 | 1.287 | null | null | null | has coordinates | Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.
3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1<i>H</i>-2-benzoxacyclotetradecin-1,7(8<i>H</i>)-dione (Zearalenone)
Acta Crystallographica Section C
52(12)
(1996)
3095-3097 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,783 | 11.929 | 0.003 | 9.357 | 0.003 | 10.434 | 0.003 | 90 | null | 113.32 | 0.02 | 90 | null | 1,069.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | N,N-bis-(4-methoxybenziliden)ethylendiamine:Hydroquinone (1:1) | - C24 H26 N2 O4 - | - C24 H26 N2 O4 - | - C48 H52 N4 O8 - | 2 | 0.5 | KA1210 | Panneerselvam, K.; Soriano-García, M.; Reyes-Arellano, A.; Tamariz-Mascarúa, J.; Mendoza-Sánchez, R. I. | The 1:1 Molecular Complex of <i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)ethylenediamine and Hydroquinone | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3098 | 3100 | 10.1107/S0108270196011067 | 1.54178 | CuKα | 0.0393 | 0.035 | null | 0.0952 | 0.0904 | null | null | null | 1.098 | 1.109 | 1.109 | null | null | null | has coordinates | Panneerselvam, K.; Soriano-García, M.; Reyes-Arellano, A.; Tamariz-Mascarúa, J.; Mendoza-Sánchez, R. I.
The 1:1 Molecular Complex of <i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)ethylenediamine and Hydroquinone
Acta Crystallographica Section C
52(12)
(1996)
3098-3100 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,133 | 12.878 | 0.002 | 11.561 | 0.002 | 13.058 | 0.003 | 90 | null | 90.54 | 0.01 | 90 | null | 1,944 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Tetra-μ-propionyl-di-μ3-hydroxo-octacarbonyl-bis-trifluoroacetato-tetrarut henium(II) | - C11 H11 F3 O10 Ru2 S - | - C11 H11 F3 O10 Ru2 S - | - C44 H44 F12 O40 Ru8 S4 - | 4 | 1 | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti | Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent | Inorganic Chemistry | 1,999 | 38 | 3361 | 3368 | 10.1021/ic981429i | 0.71073 | MoKα | 0.1392 | 0.0983 | null | null | 0.2519 | 0.2912 | null | null | null | null | null | 1.079 | null | null | has coordinates | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti
Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent
Inorganic Chemistry
38
(1999)
3361-3368 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
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2,005,784 | 10.739 | 0.003 | 15.452 | 0.005 | 14.522 | 0.005 | 90 | null | 109.59 | 0.03 | 90 | null | 2,270.3 | 1.3 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4,5-dihydroxy-1-nitro-anthraquinone | 4,5-dihydroxy-1-nitro-9,10-anthracenedione | - C14 H7 N O6 - | - C14 H7 N O6 - | - C112 H56 N8 O48 - | 8 | 2 | KA1211 | Yatsenko, A. V.; Paseshnichenko, K. A.; Popov, S. I. | 4,5-Dihydroxy-1-nitroanthracene-9,10-dione | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3258 | 3260 | 10.1107/S0108270196011754 | 0.71073 | MoKα | 0.0839 | 0.044 | null | 0.1204 | 0.1065 | null | null | null | 0.912 | 1.111 | 1.111 | null | null | null | has coordinates | Yatsenko, A. V.; Paseshnichenko, K. A.; Popov, S. I.
4,5-Dihydroxy-1-nitroanthracene-9,10-dione
Acta Crystallographica Section C
52(12)
(1996)
3258-3260 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,785 | 17.5555 | 0.0011 | 7.3717 | 0.0007 | 26.736 | 0.002 | 90 | null | 90 | null | 90 | null | 3,460 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | (Z)-2-acetoxy-3,3',4'-trimethoxystilbene | - C19 H20 O5 - | - C19 H20 O5 - | - C152 H160 O40 - | 8 | 1 | KA1212 | Li, S.; Lundquist, K.; Stomberg, R. | (<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3118 | 3121 | 10.1107/S0108270196011079 | 0.71069 | MoKα | 0.1793 | 0.0474 | null | 0.1629 | 0.1035 | null | null | null | 1 | 1.081 | 1.081 | null | null | null | has coordinates,has Fobs | Li, S.; Lundquist, K.; Stomberg, R.
(<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene
Acta Crystallographica Section C
52(12)
(1996)
3118-3121 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,786 | 10.477 | 0.002 | 6.953 | 0.001 | 19.865 | 0.003 | 90 | null | 99.55 | 0.02 | 90 | null | 1,427 | 0.4 | 294 | null | 294 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 1,3-diphenyl-1,2,4-benzotriazin-4(1H)-yl | - C19 H14 N3 - | - C19 H14 N3 - | - C76 H56 N12 - | 4 | 1 | KA1215 | Krieger, C.; Neugebauer, F. A. | Columnar Stacking of 1,3-Diphenyl-1,2,4-benzotriazin-4(1<i>H</i>)-yl Radicals | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3124 | 3126 | 10.1107/S0108270196011092 | 0.71073 | MoKα | 0.041 | 0.057 | null | null | 0.05 | null | null | null | null | 2.187 | 2.187 | null | null | null | has coordinates | Krieger, C.; Neugebauer, F. A.
Columnar Stacking of 1,3-Diphenyl-1,2,4-benzotriazin-4(1<i>H</i>)-yl Radicals
Acta Crystallographica Section C
52(12)
(1996)
3124-3126 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,787 | 14.79 | 0.002 | 8.562 | 0.0012 | 14.38 | 0.003 | 90 | null | 98.853 | 0.0013 | 90 | null | 1,799.3 | 0.5 | 298 | null | 298 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | ethyl 2-fluoro-2(p-toluoyl)-3-oxo-3-(p-tolyl)propanoate | - C20 H19 F O4 - | - C20 H19 F O4 - | - C80 H76 F4 O16 - | 4 | 1 | KH1096 | Kim, M.-J.; Shin, J.-C.; Lee, J.-H.; Rhie, D.-Y.; Kim, D.-Y.; Suh, I.-H.; Choi, S.-S.; Jensen, W. P.; Lewis, D. E. | Ethyl 2-Fluoro-3-oxo-2-(<i>p</i>-toluoyl)-3-(<i>p</i>-tolyl)propanoate, C~20~H~19~O~4~F | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3127 | 3128 | 10.1107/S0108270196011250 | 0.71069 | MoKα | 0.146 | 0.0675 | null | 0.1321 | 0.1092 | null | null | null | 0.984 | 1.227 | 1.227 | null | null | null | has coordinates | Kim, M.-J.; Shin, J.-C.; Lee, J.-H.; Rhie, D.-Y.; Kim, D.-Y.; Suh, I.-H.; Choi, S.-S.; Jensen, W. P.; Lewis, D. E.
Ethyl 2-Fluoro-3-oxo-2-(<i>p</i>-toluoyl)-3-(<i>p</i>-tolyl)propanoate, C~20~H~19~O~4~F
Acta Crystallographica Section C
52(12)
(1996)
3127-3128 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
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2,005,788 | 10.529 | 0.002 | 10.9805 | 0.0014 | 18.362 | 0.004 | 90 | null | 99.72 | 0.02 | 90 | null | 2,092.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H30 N2 - | - C23 H30 N2 - | - C92 H120 N8 - | 4 | 1 | KH1109 | Lin, K.-J.; Wu, J.-Y.; Chen, C.-T. | <i>meso</i>-(3,5-Di-<i>tert</i>-butylphenyl)-2,2'-dipyrromethane | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3114 | 3116 | 10.1107/S0108270196010542 | 0.71073 | MoKα | 0.0713 | 0.0434 | null | 0.1495 | 0.1304 | null | null | null | 0.921 | 0.999 | 0.999 | null | null | null | has coordinates | Lin, K.-J.; Wu, J.-Y.; Chen, C.-T.
<i>meso</i>-(3,5-Di-<i>tert</i>-butylphenyl)-2,2'-dipyrromethane
Acta Crystallographica Section C
52(12)
(1996)
3114-3116 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,789 | 8.526 | 0.001 | 13.857 | 0.001 | 18.519 | 0.001 | 90 | null | 90 | null | 90 | null | 2,187.9 | 0.3 | 294 | 2 | 294 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | rac. Cyclododeca-2.8-diyne-1.10-diole | - C12 H16 O2 - | - C12 H16 O2 - | - C96 H128 O16 - | 8 | 1 | KH1110 | Boss, C.; Stoeckli-Evans, H.; Keese, R. | The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3069 | 3073 | 10.1107/S0108270196009080 | 0.71073 | MoKα | 0.1054 | 0.0444 | null | 0.0929 | 0.0783 | null | null | null | 0.882 | 1.044 | 1.044 | null | null | null | has coordinates | Boss, C.; Stoeckli-Evans, H.; Keese, R.
The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols
Acta Crystallographica Section C
52(12)
(1996)
3069-3073 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,790 | 8.115 | 0.002 | 10.4765 | 0.0011 | 15.093 | 0.004 | 90 | null | 94.59 | 0.03 | 90 | null | 1,279 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | rac. 1,10-dimethyl-cyclododeca-2,8-diyne-1,10-diol | - C14 H20 O2 - | - C14 H20 O2 - | - C56 H80 O8 - | 4 | 1 | KH1110 | Boss, C.; Stoeckli-Evans, H.; Keese, R. | The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3069 | 3073 | 10.1107/S0108270196009080 | 0.71073 | MoKα | 0.0567 | 0.0515 | null | 0.1094 | 0.1053 | null | null | null | 1.215 | 1.221 | 1.221 | null | null | null | has coordinates | Boss, C.; Stoeckli-Evans, H.; Keese, R.
The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols
Acta Crystallographica Section C
52(12)
(1996)
3069-3073 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,791 | 6.699 | 0.0015 | 9.3743 | 0.0003 | 12.892 | 0.004 | 90 | null | 90 | null | 90 | null | 809.6 | 0.3 | 293 | 2 | 150 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 4,4-dimethylcycohexan-1.3-dione | - C8 H12 O2 - | - C8 H12.624 O2 - | - C32 H50.496 O8 - | 4 | 1 | LI1150 | Barnes, J. C. | Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3159 | 3162 | 10.1107/S0108270196008980 | 0.71069 | MoKα | 0.0557 | 0.0387 | null | 0.0986 | 0.0873 | null | null | null | 0.564 | 0.637 | 0.637 | null | null | null | has coordinates,has disorder | Barnes, J. C.
Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate
Acta Crystallographica Section C
52(12)
(1996)
3159-3162 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,005,792 | 5.863 | 0.01 | 13.558 | 0.01 | 11.225 | 0.008 | 90 | null | 97.8 | 0.1 | 90 | null | 884 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 2,5,5-trimethylcyclohexan-1,3-dione monohydrate | - C9 H16 O3 - | - C9 H16 O3 - | - C36 H64 O12 - | 4 | 1 | LI1150 | Barnes, J. C. | Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3159 | 3162 | 10.1107/S0108270196008980 | 0.71069 | MoKα | 0.085 | 0.0652 | null | 0.1823 | 0.1644 | null | null | null | 1.266 | 1.392 | 1.392 | null | null | null | has coordinates | Barnes, J. C.
Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate
Acta Crystallographica Section C
52(12)
(1996)
3159-3162 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,793 | 9.448 | 0.003 | 9.918 | 0.003 | 15.173 | 0.005 | 107.85 | 0.02 | 93.67 | 0.02 | 104.74 | 0.02 | 1,293.1 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Bis(dicyanamide)tetrakis(4-methylimidazole) nickel(II) complex, C~20~H~24~N~14~Ni~1~ | - C20 H24 N14 Ni - | - C20 H24 N14 Ni - | - C40 H48 N28 Ni2 - | 2 | 1 | MU1201 | Kožíšek, J.; Paulus, H.; Danková, M.; Hvastijová, M. | <i>trans</i>-Bis(dicyanamido-<i>N</i>)tetrakis(4-methylimidazole-<i>N</i>^1^)nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3019 | 3020 | 10.1107/S0108270196010311 | 0.71069 | MoKα | 0.0584 | 0.037 | null | 0.1118 | 0.0872 | null | null | null | 1.113 | 1.071 | 1.071 | null | null | null | has coordinates | Kožíšek, J.; Paulus, H.; Danková, M.; Hvastijová, M.
<i>trans</i>-Bis(dicyanamido-<i>N</i>)tetrakis(4-methylimidazole-<i>N</i>^1^)nickel(II)
Acta Crystallographica Section C
52(12)
(1996)
3019-3020 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,794 | 15.181 | 0.002 | 9.911 | 0.001 | 19.114 | 0.004 | 90 | null | 93.64 | 0.01 | 90 | null | 2,870.1 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | (1.8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane) nickel(II)Bis(maleonitriledithiolate)nickelate(II) | - C20 H30 N10 Ni2 O2 S4 - | - C20 H30 N10 Ni2 O2 S4 - | - C80 H120 N40 Ni8 O8 S16 - | 4 | 0.5 | MU1259 | Shan, B.-Z.; You, X.-Z.; Fun, H.-K.; Sivakumar, K. | [1,8-Bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) Bis(maleonitriledithiolato)nickelate(II) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3035 | 3037 | 10.1107/S0108270196009389 | 0.71073 | MoKα | 0.0395 | 0.033 | null | 0.0993 | 0.0932 | null | null | null | 1.059 | 1.084 | 1.084 | null | null | null | has coordinates | Shan, B.-Z.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
[1,8-Bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) Bis(maleonitriledithiolato)nickelate(II)
Acta Crystallographica Section C
52(12)
(1996)
3035-3037 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,132 | 9.394 | 0.001 | 15.679 | 0.003 | 8.086 | 0.001 | 90 | null | 95.25 | 0.01 | 90 | null | 1,186 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis-ethyl-tetracarbonyl-tetraaquo-diruthenium(II) bis-trifluoromethanesulfonate | - C10 H18 F6 O14 Ru2 S2 - | - C10 H18 F6 O14 Ru2 S2 - | - C20 H36 F12 O28 Ru4 S4 - | 2 | 0.5 | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti | Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent | Inorganic Chemistry | 1,999 | 38 | 3361 | 3368 | 10.1021/ic981429i | 0.71073 | MoKα | 0.0529 | 0.0385 | null | null | 0.0913 | 0.0992 | null | null | null | null | null | 1.053 | null | null | has coordinates | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti
Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent
Inorganic Chemistry
38
(1999)
3361-3368 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,795 | 21.86 | 0.02 | 12.48 | 0.02 | 11.047 | 0.008 | 90 | null | 90 | null | 90 | null | 3,014 | 6 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 1-methyl-4-methylamino-3,5-diphenyl-1,2,4,3,5-triazadiborole | - C14 H18 B2 N4 - | - C14 H18 B2 N4 - | - C112 H144 B16 N32 - | 8 | 1 | MU1263 | Engelhardt, U.; Park, S. S. | An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3248 | 3250 | 10.1107/S0108270196010232 | 0.71069 | MoKα | 0.035 | 0.08 | null | 0.197 | 0.03 | null | null | null | 1.38 | 1.99 | 1.99 | null | null | null | has coordinates | Engelhardt, U.; Park, S. S.
An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks
Acta Crystallographica Section C
52(12)
(1996)
3248-3250 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,796 | 9.842 | 0.004 | 15.775 | 0.002 | 7.382 | 0.001 | 100.04 | 0.01 | 95.75 | 0.02 | 79.02 | 0.02 | 1,105.2 | 0.5 | 293 | 5 | 293 | 3 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 3,7-bis(dimethylamino)-(N-carboxymethyl)phenothiazine-10-carboxamide | - C21 H28 N4 O4 S - | - C21 H28 N4 O4 S - | - C42 H56 N8 O8 S2 - | 2 | 1 | MU1269 | Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A. | 10-(<i>N</i>-Carboxymethylcarbamoyl)-3,7-bis(dimethylamino)phenothiazine (CCAP)–Ethanol (1/1), C~19~H~22~N~4~O~3~S.C~2~H~6~O | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3140 | 3142 | 10.1107/S0108270196010244 | 1.5418 | CuKα | null | 0.065 | null | null | 0.087 | null | null | null | null | 2.76 | 2.76 | null | null | null | has coordinates | Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.
10-(<i>N</i>-Carboxymethylcarbamoyl)-3,7-bis(dimethylamino)phenothiazine (CCAP)–Ethanol (1/1), C~19~H~22~N~4~O~3~S.C~2~H~6~O
Acta Crystallographica Section C
52(12)
(1996)
3140-3142 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,797 | 9.027 | 0.005 | 10.945 | 0.005 | 10.913 | 0.005 | 112.79 | 0.005 | 99.24 | 0.005 | 109.72 | 0.005 | 881.5 | 0.8 | 150 | 0.2 | 150 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C19 H18 N2 O7 - | - C19 H18 N2 O7 - | - C38 H36 N4 O14 - | 2 | 1 | MU1270 | Despinoy, X. L. M.; McNab, H.; Parsons, S. | An Unusual 3<i>H</i>-Pyrrole at 150K | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3064 | 3067 | 10.1107/S0108270196010256 | 0.71073 | MoKα | 0.1159 | 0.0698 | null | 0.2021 | 0.1665 | null | null | null | 1.024 | 1.09 | 1.09 | null | null | null | has coordinates | Despinoy, X. L. M.; McNab, H.; Parsons, S.
An Unusual 3<i>H</i>-Pyrrole at 150K
Acta Crystallographica Section C
52(12)
(1996)
3064-3067 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,798 | 6.246 | 0.003 | 7.187 | 0.004 | 31.334 | 0.002 | 90 | null | 90 | null | 90 | null | 1,406.6 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | - C14 H12 Cl N O2 - | - C14 H12 Cl N O2 - | - C56 H48 Cl4 N4 O8 - | 4 | 1 | MU1276 | Kevran, S.; Elmali, A.; Elerman, Y. | 5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3256 | 3258 | 10.1107/S0108270196010268 | 0.71069 | MoKα | 0.0418 | 0.0402 | null | 0.0969 | 0.0958 | null | null | null | 1.111 | 1.159 | 1.159 | null | null | null | has coordinates | Kevran, S.; Elmali, A.; Elerman, Y.
5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol
Acta Crystallographica Section C
52(12)
(1996)
3256-3258 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,799 | 7.4614 | 0.0004 | 16.5571 | 0.0013 | 20.6129 | 0.0014 | 90 | null | 90 | null | 90 | null | 2,546.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | o-cyanophenol | o-Cyanophenol | - C7 H5 N O - | - C7 H5 N O - | - C112 H80 N16 O16 - | 16 | 2 | MU1277 | Beswick, C.; Kubicki, M.; Codding, P. W. | <i>o</i>-Cyanophenol | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3171 | 3173 | 10.1107/S0108270196009419 | 1.54178 | CuKα | 0.053 | 0.0401 | null | 0.1033 | 0.0965 | null | null | null | 1.059 | 1.154 | 1.154 | null | null | null | has coordinates | Beswick, C.; Kubicki, M.; Codding, P. W.
<i>o</i>-Cyanophenol
Acta Crystallographica Section C
52(12)
(1996)
3171-3173 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,800 | 15.789 | 0.013 | 8.139 | 0.01 | 10.719 | 0.007 | 90 | null | 90 | null | 90 | null | 1,377 | 2 | 193 | 1 | 193 | 1 | null | null | null | null | 6 | P n a 21 | P 2c -2n | 33 | 2-Anilidopyridinetungstenoxotrichloride | trichloro-2-(phenylamido)pyridineoxotungsten | - C11 H9 Cl3 N2 O W - | - C11 H9 Cl3 N2 O W - | - C44 H36 Cl12 N8 O4 W4 - | 4 | 1 | MU1278 | Polamo, M. | <i>mer</i>-Trichloro[2-(phenylamino)pyridinato]oxotungsten(VI) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2980 | 2982 | 10.1107/S010827019601027X | 0.71073 | MoKα | 0.0351 | 0.0295 | null | 0.0753 | 0.0735 | null | null | null | 1.04 | 1.064 | 1.064 | null | null | null | has coordinates | Polamo, M.
<i>mer</i>-Trichloro[2-(phenylamino)pyridinato]oxotungsten(VI)
Acta Crystallographica Section C
52(12)
(1996)
2980-2982 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,005,801 | 22.37 | 0.003 | 5.692 | 0.001 | 9.39 | 0.002 | 90 | null | 90 | null | 90 | null | 1,195.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Methyl (1R,2R)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate | - C11 H15 N O4 - | - C11 H15 N O4 - | - C44 H60 N4 O16 - | 4 | 1 | MU1282 | Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P. | Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3210 | 3213 | 10.1107/S0108270196010281 | 0.71073 | MoKα | 0.0496 | 0.0424 | null | 0.1156 | 0.1083 | null | null | null | 1.036 | 1.046 | 1.046 | null | null | null | has coordinates | Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.
Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
Acta Crystallographica Section C
52(12)
(1996)
3210-3213 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,802 | 5.911 | 0.001 | 9.445 | 0.002 | 22.051 | 0.004 | 90 | null | 90 | null | 90 | null | 1,231.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Methyl (1S,2S)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate | - C11 H15 N O4 - | - C11 H15 N O4 - | - C44 H60 N4 O16 - | 4 | 1 | MU1282 | Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P. | Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3210 | 3213 | 10.1107/S0108270196010281 | 0.71073 | MoKα | 0.104 | 0.0675 | null | 0.1897 | 0.1594 | null | null | null | 1.021 | 1.078 | 1.078 | null | null | null | has coordinates | Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.
Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
Acta Crystallographica Section C
52(12)
(1996)
3210-3213 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,803 | 11.936 | 0.002 | 20.053 | 0.003 | 12.306 | 0.003 | 90 | null | 93.48 | 0.01 | 90 | null | 2,940 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Tetrakis(μ-thiobenzoato-O,S)bis(triphenylphosphineoxide-O)dimolybdenum(II) | - C64 H50 Mo2 O6 P2 S4 - | - C64 H50 Mo2 O6 P2 S4 - | - C128 H100 Mo4 O12 P4 S8 - | 2 | 0.5 | MU1284 | Cindrić, M.; Vrdoljak, V.; Matković-Čalogović, D.; Kamenar, B. | A 1:2 Adduct of Tetrakis(μ-thiobenzoato-<i>O</i>,<i>S</i>)dimolybdenum(II)(<i>Mo{—</i>Mo}) with Triphenylphosphine Oxide, [Mo~2~(C~7~H~5~OS)~4~].2[(C~6~H~5~)~3~OP] | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3016 | 3018 | 10.1107/S0108270196010293 | 0.71073 | MoKα | 0.1239 | 0.0494 | null | 0.1144 | 0.0933 | null | null | null | 0.974 | 1.085 | 1.085 | null | null | null | has coordinates | Cindrić, M.; Vrdoljak, V.; Matković-Čalogović, D.; Kamenar, B.
A 1:2 Adduct of Tetrakis(μ-thiobenzoato-<i>O</i>,<i>S</i>)dimolybdenum(II)(<i>Mo{—</i>Mo}) with Triphenylphosphine Oxide, [Mo~2~(C~7~H~5~OS)~4~].2[(C~6~H~5~)~3~OP]
Acta Crystallographica Section C
52(12)
(1996)
3016-3018 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,131 | 7.5675 | 0.0011 | 7.5675 | 0.0011 | 34.703 | 0.005 | 90 | null | 90 | null | 120 | null | 1,721.1 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | R 3 :H | R 3 | 146 | Tris-aquo-tricarbonyl-ruthenium(II) di-tetrafluoborate | - C3 H6 B2 F8 O6 Ru - | - C3 H6 B2 F8 O6 Ru - | - C18 H36 B12 F48 O36 Ru6 - | 6 | 0.666667 | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti | Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent | Inorganic Chemistry | 1,999 | 38 | 3361 | 3368 | 10.1021/ic981429i | 0.71073 | MoKα | 0.0203 | 0.0193 | null | null | 0.0483 | 0.0491 | null | null | null | null | null | 1.191 | null | null | has coordinates | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti
Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent
Inorganic Chemistry
38
(1999)
3361-3368 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322131.cif $
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2,005,804 | 9.821 | 0.004 | 11.855 | 0.005 | 32.703 | 0.005 | 90 | null | 93.97 | 0.03 | 90 | null | 3,798 | 2 | 293 | null | 293 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | chloro(η^6^-p-cymene)[1-(dimethylphosphino-κP)-2-(methylthio-κS)ethane]- ruthenium(II) tetraphenylborate hemidichloromethane solvate | - C39.5 H48 B Cl2 P Ru S - | - C39.5 H48 B Cl2 P Ru S - | - C158 H192 B4 Cl8 P4 Ru4 S4 - | 4 | 1 | MU1286 | Suzuki, T.; Taguchi, N.; Kashiwabara, K. | Ruthenium(II) Complex Containing a New Hybrid Bidentate Phosphine‒Thioether Ligand: [(<i>p</i>-Cymene)RuCl(Me~2~PCH~2~CH~2~SMe)][BPh~4~].0.5CH~2~Cl~2~ | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2982 | 2984 | 10.1107/S010827019601030X | 0.71073 | MoKα | null | 0.056 | null | null | 0.056 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates,has disorder | Suzuki, T.; Taguchi, N.; Kashiwabara, K.
Ruthenium(II) Complex Containing a New Hybrid Bidentate Phosphine‒Thioether Ligand: [(<i>p</i>-Cymene)RuCl(Me~2~PCH~2~CH~2~SMe)][BPh~4~].0.5CH~2~Cl~2~
Acta Crystallographica Section C
52(12)
(1996)
2982-2984 | 202,198 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-20 14:48:59 +0300 (Fri, 20 Oct 2017) $
#$Revision: 202198 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005804.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,805 | 9.58 | 0.015 | 9.652 | 0.012 | 14.625 | 0.019 | 94.18 | 0.13 | 90.27 | 0.15 | 118.44 | 0.09 | 1,185 | 3 | 193 | 1 | 193 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-(Phenylamino)pyridinium tetrachloro-2-(phenylamido)pyridinetitanate(IV) | 2-(Phenylamino)pyridinium tetrachloro(2-phenylaminopyridinato)titanate(IV) | - C22 H20 Cl4 N4 Ti - | - C22 H20 Cl4 N4 Ti - | - C44 H40 Cl8 N8 Ti2 - | 2 | 1 | MU1287 | Polamo, M.; Leskelä, M. | Tetrachloro[2-(phenylamino)pyridinato]titanate(IV) with a 2-(Phenylamino)pyridinium Counterion | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2975 | 2977 | 10.1107/S0108270196010347 | 0.71073 | MoKα | 0.1002 | 0.0667 | null | 0.1359 | 0.1248 | null | null | null | 1.053 | 1.177 | 1.177 | null | null | null | has coordinates | Polamo, M.; Leskelä, M.
Tetrachloro[2-(phenylamino)pyridinato]titanate(IV) with a 2-(Phenylamino)pyridinium Counterion
Acta Crystallographica Section C
52(12)
(1996)
2975-2977 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005805.cif $
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2,005,806 | 5.113 | 0.002 | 8.279 | 0.002 | 14.86 | 0.005 | 93.01 | 0.02 | 96.27 | 0.03 | 99.87 | 0.03 | 614.4 | 0.4 | 292 | null | 292 | null | null | null | null | null | 4 | P 1 | P 1 | 1 | L-Argininium squarate | - C10 H16 N4 O6 - | - C10 H16 N4 O6 - | - C20 H32 N8 O12 - | 2 | 2 | NA1228 | Angelova, O.; Velikova, V.; Kolev, T.; Radomirska, V. | Crystalline Complexes Involving Amino Acids. I. <small>L</small>-Argininium Hydrogen Squarate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3252 | 3256 | 10.1107/S0108270196010219 | 0.71073 | MoKα | 0.055 | 0.039 | null | 0.052 | 0.052 | null | null | null | 1.011 | 1.026 | 1.026 | null | null | null | has coordinates | Angelova, O.; Velikova, V.; Kolev, T.; Radomirska, V.
Crystalline Complexes Involving Amino Acids. I. <small>L</small>-Argininium Hydrogen Squarate
Acta Crystallographica Section C
52(12)
(1996)
3252-3256 | 190,732 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $
#$Revision: 190732 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005806.cif $
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2,005,807 | 9.42 | 0.001 | 20.13 | 0.003 | 18.887 | 0.003 | 90 | null | 95.1 | 0.01 | 90 | null | 3,567.3 | 0.9 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-(5'-oxo-3'-phenylpyrazonyl)-3-phenylpyrazol-5-ones | - C46 H38 N4 O2 - | - C46 H38 N4 O2 - | - C184 H152 N16 O8 - | 4 | 1 | NA1248 | Bruno, G.; Grassi, G.; Nicoló, F.; Risitano, F.; Scopelliti, R. | 4-[5'-Oxo-1',3'-diphenyl-4'-(<i>p</i>-tolylmethyl)]-1,3-diphenyl-4-(<i>p</i>-tolylmethyl)pyrazol-5-one: Product of a Reductive Dimerization Reaction | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3129 | 3131 | 10.1107/S010827019600916X | 0.71073 | MoKα | null | 0.0618 | null | null | 0.0716 | null | null | null | null | 1.84 | 1.84 | null | null | null | has coordinates | Bruno, G.; Grassi, G.; Nicoló, F.; Risitano, F.; Scopelliti, R.
4-[5'-Oxo-1',3'-diphenyl-4'-(<i>p</i>-tolylmethyl)]-1,3-diphenyl-4-(<i>p</i>-tolylmethyl)pyrazol-5-one: Product of a Reductive Dimerization Reaction
Acta Crystallographica Section C
52(12)
(1996)
3129-3131 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005807.cif $
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2,005,808 | 6.68 | 0.001 | 13.996 | 0.002 | 10.816 | 0.001 | 90 | null | 104.22 | 0.01 | 90 | null | 980.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | diμ-chloro bis-diethylene triamine dicopper(II) dinitrate | - C4 H13 Cl Cu N4 O3 - | - C4 H13 Cl Cu N4 O3 - | - C16 H52 Cl4 Cu4 N16 O12 - | 4 | 1 | NA1250 | Urtiaga, M. K.; Arriortua, M. I.; Cortés, R.; Rojo, T. | Di-μ-chloro-bis[(diethylenetriamine)copper(II)] Dinitrate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3007 | 3009 | 10.1107/S010827019600978X | 0.7107 | MoKα | 0.0368 | 0.0222 | null | 0.0737 | 0.0621 | null | null | null | 0.651 | 0.602 | 0.602 | null | null | null | has coordinates | Urtiaga, M. K.; Arriortua, M. I.; Cortés, R.; Rojo, T.
Di-μ-chloro-bis[(diethylenetriamine)copper(II)] Dinitrate
Acta Crystallographica Section C
52(12)
(1996)
3007-3009 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005808.cif $
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2,005,809 | 3.846 | 0.001 | 25.673 | 0.002 | 13.992 | 0.001 | 90 | null | 96.36 | 0.01 | 90 | null | 1,373 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | 5-methoxy-1,4-benzoquinone-4-oxime | - C7 H7 N O3 - | - C7 H7 N O3 - | - C56 H56 N8 O24 - | 8 | 2 | NA1253 | Sardone, N.; Carugo, O.; Charalambous, J.; Raghvani, D. V. | 3-Methoxy-1,4-benzoquinone 4-Oxime | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3202 | 3204 | 10.1107/S0108270196009171 | 1.54184 | CuKα | 0.05 | 0.038 | null | null | 0.034 | null | null | null | null | 0.627 | 0.627 | null | null | null | has coordinates | Sardone, N.; Carugo, O.; Charalambous, J.; Raghvani, D. V.
3-Methoxy-1,4-benzoquinone 4-Oxime
Acta Crystallographica Section C
52(12)
(1996)
3202-3204 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005809.cif $
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2,005,810 | 23.953 | 0.003 | 22.097 | 0.003 | 11.477 | 0.004 | 90 | null | 90 | null | 90 | null | 6,075 | 2 | 150 | null | 150 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | (3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl- dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone | - C26 H52 O3 Si2 - | - C26 H52 O3 Si2 - | - C208 H416 O24 Si16 - | 8 | 1 | NA1256 | Kocienski, P. J.; Pelotier, B.; Webster, M. | (3<i>R</i>*,4<i>S</i>*)-4-[(<i>S</i>*)-2-Cyclohexyl-2-(<i>tert</i>-butyldimethylsiloxy)ethyl]-3-hexyl-3-(trimethylsilyl)oxetan-2-one | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3150 | 3152 | 10.1107/S0108270196009158 | 0.71069 | MoKα | null | 0.0591 | null | null | 0.051 | null | null | null | null | 2.301 | 2.301 | null | null | null | has coordinates | Kocienski, P. J.; Pelotier, B.; Webster, M.
(3<i>R</i>*,4<i>S</i>*)-4-[(<i>S</i>*)-2-Cyclohexyl-2-(<i>tert</i>-butyldimethylsiloxy)ethyl]-3-hexyl-3-(trimethylsilyl)oxetan-2-one
Acta Crystallographica Section C
52(12)
(1996)
3150-3152 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005810.cif $
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2,005,811 | 9.282 | 0.004 | 17.837 | 0.005 | 8.488 | 0.004 | 90 | null | 90 | null | 90 | null | 1,405.3 | 1 | 295 | null | 295 | null | null | null | null | null | 6 | P c c n | -P 2ab 2ac | 56 | Cadmium dimethyl dithiophosphate | Bis(O,O'-dimethyl dithiophosphato)Cadmium(II) | - C4 H12 Cd O4 P2 S4 - | - C4 H12 Cd O4 P2 S4 - | - C16 H48 Cd4 O16 P8 S16 - | 4 | 0.5 | OA1003 | Ito, T.; Otake, M. | Linear-Chain Structure of Bis(<i>O</i>,<i>O</i>'-dimethyldithiophosphato)cadmium(II) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3024 | 3025 | 10.1107/S0108270196010463 | 0.71069 | MoKα | null | 0.0365 | null | null | 0.0545 | null | null | null | null | 2.375 | 2.375 | null | null | null | has coordinates | Ito, T.; Otake, M.
Linear-Chain Structure of Bis(<i>O</i>,<i>O</i>'-dimethyldithiophosphato)cadmium(II)
Acta Crystallographica Section C
52(12)
(1996)
3024-3025 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/58/2005811.cif $
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4,322,130 | 10.9 | 0.001 | 10.9 | 0.001 | 10.997 | 0.001 | 90 | null | 90 | null | 90 | null | 1,306.6 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 41 | P 4w | 76 | bis-triflouroacetato-tricarbonyl-aquo-ruthenium(II) | - C7 H2 F6 O8 Ru - | - C7 H2 F6 O8 Ru - | - C28 H8 F24 O32 Ru4 - | 4 | 1 | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti | Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent | Inorganic Chemistry | 1,999 | 38 | 3361 | 3368 | 10.1021/ic981429i | 0.71073 | MoKα | 0.0458 | 0.0424 | null | 0.1156 | 0.1127 | null | null | null | 1.033 | 1.051 | 1.051 | null | null | null | has coordinates,has disorder | Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti
Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent
Inorganic Chemistry
38
(1999)
3361-3368 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322130.cif $
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2,005,812 | 7.755 | null | 7.755 | null | 35.137 | 0.002 | 90 | null | 90 | null | 120 | null | 1,830.03 | 0.1 | 296 | null | null | null | null | null | null | null | 3 | P 65 | P 65 | 170 | - C12 H20 O4 - | - C12 H20 O4 - | - C72 H120 O24 - | 6 | 1 | OA1006 | Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B. | Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i> | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3216 | 3217 | 10.1107/S0108270196010475 | 0.71073 | MoKα | null | 0.028 | null | null | 0.036 | null | null | null | null | 1.31 | 1.31 | null | null | null | has coordinates | Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.
Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>
Acta Crystallographica Section C
52(12)
(1996)
3216-3217 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,005,813 | 8.542 | 0.006 | 13.823 | 0.008 | 22.941 | 0.012 | 90 | null | 90 | null | 90 | null | 2,709 | 3 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3α, 4α, 8α, 9α-diépoxy-cis-himachalane | - C15 H24 O2 - | - C15 H24 O2 - | - C120 H192 O16 - | 8 | 2 | PA1242 | Chiaroni, A.; Riche, C.; Lassaba, E.; Benharref, A. | 2α,3α:7α,8α-Diépoxy-<i>cis</i>-himachalane | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3240 | 3243 | 10.1107/S0108270196008797 | 0.7107 | MoKα | null | 0.0538 | null | null | 0.0757 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Lassaba, E.; Benharref, A.
2α,3α:7α,8α-Diépoxy-<i>cis</i>-himachalane
Acta Crystallographica Section C
52(12)
(1996)
3240-3243 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,005,814 | 21.562 | 0.003 | 14.055 | 0.002 | 8.072 | 0.001 | 90 | null | 90 | null | 90 | null | 2,446.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | quitenidinium ethyl ester ethyl sulfate | - C23 H32 N2 O8 S - | - C23 H32 N2 O8 S - | - C92 H128 N8 O32 S4 - | 4 | 1 | SK1021 | Lewinski, K.; Nitek, W.; Oleksyn, B. J.; Kostrzewa, A.; Lipinska, T.; Suszko-Purzycka, A. | Quitenidinium Ethyl Ester Ethyl Sulfate | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3121 | 3124 | 10.1107/S0108270196009572 | 1.54178 | CuKα | 0.0356 | 0.0356 | null | 0.0984 | 0.0984 | null | null | null | 1.06 | 1.06 | 1.06 | null | null | null | has coordinates | Lewinski, K.; Nitek, W.; Oleksyn, B. J.; Kostrzewa, A.; Lipinska, T.; Suszko-Purzycka, A.
Quitenidinium Ethyl Ester Ethyl Sulfate
Acta Crystallographica Section C
52(12)
(1996)
3121-3124 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,005,815 | 5.588 | 0.001 | 11.645 | 0.001 | 18.561 | 0.002 | 90 | null | 97.56 | 0.01 | 90 | null | 1,197.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | none | 2',3'-dideoxy-3'-nitro-thymidine | - C10 H13 N3 O6 - | - C10 H13 N3 O6 - | - C40 H52 N12 O24 - | 4 | 2 | SK1024 | Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A. | 2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3173 | 3177 | 10.1107/S0108270196009481 | 1.54178 | CuKα | 0.0608 | 0.0551 | null | 0.1722 | 0.1639 | null | null | null | 0.894 | 0.899 | 0.899 | null | null | null | has coordinates | Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.
2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine
Acta Crystallographica Section C
52(12)
(1996)
3173-3177 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,005,816 | 15.746 | 0.002 | 9.373 | 0.001 | 11.304 | 0.002 | 90 | null | 100.19 | 0.01 | 90 | null | 1,642 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | none | 2'-oxapropyl-3'-nitro-thymidine | - C13 H19 N3 O7 - | - C13 H19 N3 O7 - | - C52 H76 N12 O28 - | 4 | 1 | SK1024 | Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A. | 2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3173 | 3177 | 10.1107/S0108270196009481 | 1.54178 | CuKα | 0.0657 | 0.064 | null | 0.1748 | 0.1725 | null | null | null | 1.192 | 1.194 | 1.194 | null | null | null | has coordinates | Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.
2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine
Acta Crystallographica Section C
52(12)
(1996)
3173-3177 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,005,817 | 12.155 | 0.002 | 10.867 | 0.001 | 6.415 | 0.001 | 77.5 | 0.01 | 89.76 | 0.02 | 76.51 | 0.02 | 803.5 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 2,2':6',2"-Terpyridinium Trifluoromethanesulfonate | - C16 H12 F3 N3 O3 S - | - C16 H12 F3 N3 O3 S - | - C32 H24 F6 N6 O6 S2 - | 2 | 1 | SK1032 | Hergold-Brundic, A.; Popovic, Z.; Matkovic-Calogovic, D. | 2,2':6',2''-Terpyridinium Trifluoromethanesulfonate, [terpyH](CF~3~SO~3~) | Acta Crystallographica Section C | 1,996 | 52 | 12 | 3154 | 3157 | 10.1107/S0108270196009584 | 0.71073 | MoKα | null | 0.0448 | null | null | 0.0431 | null | null | null | null | 0.646 | 0.646 | null | null | null | has coordinates | Hergold-Brundic, A.; Popovic, Z.; Matkovic-Calogovic, D.
2,2':6',2''-Terpyridinium Trifluoromethanesulfonate, [terpyH](CF~3~SO~3~)
Acta Crystallographica Section C
52(12)
(1996)
3154-3157 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,005,818 | 20.568 | 0.004 | 9.057 | 0.002 | 7.295 | 0.002 | 90 | null | 90 | null | 90 | null | 1,358.9 | 0.5 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | P 21 21 2 | P 2 2ab | 18 | Sodium Inosinate(1-) 2.5 Water, Na(inosineH~-1~) . 2.5 H~2~O | - C10 H16 N4 Na O7.5 - | - C10 H16 N4 Na O7.5 - | - C40 H64 N16 Na4 O30 - | 4 | 1 | SK1041 | Klüfers, P.; Mayer, P. | The Sodium Salt of N1-Deprotonated Inosine, Na^+^.C~10~H~11~N~4~O~5~^{-^}.2.5H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 12 | 2970 | 2972 | 10.1107/S0108270196009043 | 0.71069 | MoKa | 0.0248 | 0.0233 | null | 0.0614 | 0.0605 | null | null | null | 1.058 | 1.072 | 1.072 | null | null | null | has coordinates | Klüfers, P.; Mayer, P.
The Sodium Salt of N1-Deprotonated Inosine, Na^+^.C~10~H~11~N~4~O~5~^{-^}.2.5H~2~O
Acta Crystallographica Section C
52(12)
(1996)
2970-2972 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,129 | 9.6227 | 0.0009 | 10.3127 | 0.001 | 19.649 | 0.002 | 80.855 | 0.002 | 81.889 | 0.002 | 72.625 | 0.002 | 1,828.2 | 0.3 | 133 | 2 | 133 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Chromium(V)mon-oxo-bis(tert-butyl, 2,5-fluoro-methyl-anilide)triphenylsiloxide. | - C40 H45 Cr F2 N2 O2 Si - | - C40 H36 Cr F2 N2 O2 Si - | - C80 H72 Cr2 F4 N4 O4 Si2 - | 2 | 1 | Aaron L. Odom; Daniel J. Mindiola; Christopher C. Cummins | A Nucleophilic Chromium(V) Dioxo Radical Anion | Inorganic Chemistry | 1,999 | 38 | 3290 | 3295 | 10.1021/ic981403r | 0.71073 | MoKα | 0.1123 | 0.0887 | null | 0.195 | 0.1745 | null | null | null | 1.171 | 1.218 | 1.218 | null | null | null | has coordinates | Aaron L. Odom; Daniel J. Mindiola; Christopher C. Cummins
A Nucleophilic Chromium(V) Dioxo Radical Anion
Inorganic Chemistry
38
(1999)
3290-3295 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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