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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,003,296 | 6.7639 | 0.0002 | 8.0105 | 0.0001 | 9.3111 | 0.0001 | 95.703 | 0.001 | 106.774 | 0.001 | 92.499 | 0.002 | 479.254 | 0.017 | 293 | 2 | 293 | 2 | null | null | null | null | diffusion of petroleum ether into a solution of (1) in ethyl acetate | 5 | P 1 | P 1 | 1 | (5R,6S,7R,9R,13S,14R)-7-Chloro-7-cyano-4,5-epoxy-3,6-dimethoxy-N-methyl- 6,14-ethenoisomorphinane | - C22 H23 Cl N2 O3 - | - C22 H23 Cl N2 O3 - | - C22 H23 Cl N2 O3 - | 1 | 1 | SE1061 | Schollmeyer, D.; Keilhofer, D.; Pindur, U. | Diels–Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene | Acta Crystallographica Section C | 1,995 | 51 | 3 | 502 | 505 | 10.1107/S0108270194007900 | 1.5418 | CuKα | 0.0476 | 0.0475 | null | 0.1362 | 0.136 | null | null | null | 1.126 | 1.126 | 1.126 | null | null | null | has coordinates | Schollmeyer, D.; Keilhofer, D.; Pindur, U.
Diels–Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene
Acta Crystallographica Section C
51(3)
(1995)
502-505 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,297 | 7.5252 | 0.0005 | 9.398 | 0.001 | 17.29 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,222.78 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | slow evaporation of chloroform solution of (2) | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1-Methoxy-5,5,6,6-tetracyanobicyclo[2.2.2]oct-3-ene | - C13 H10 N4 O - | - C13 H10 N4 O - | - C52 H40 N16 O4 - | 4 | 1 | SE1061 | Schollmeyer, D.; Keilhofer, D.; Pindur, U. | Diels–Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene | Acta Crystallographica Section C | 1,995 | 51 | 3 | 502 | 505 | 10.1107/S0108270194007900 | 1.5418 | CuKα | 0.0535 | 0.0527 | null | 0.1421 | 0.1407 | null | null | null | 1.027 | 1.031 | 1.031 | null | null | null | has coordinates | Schollmeyer, D.; Keilhofer, D.; Pindur, U.
Diels–Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene
Acta Crystallographica Section C
51(3)
(1995)
502-505 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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4,322,400 | 22.646 | 0.004 | 25.842 | 0.005 | 12.349 | 0.005 | 90 | null | 100.34 | 0.02 | 90 | null | 7,109 | 3 | 299.2 | null | 299.2 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C48 H48 Cl4 Cu4 N20 O28 - | - C48 H38 Cl3.5 Cu4 N20 O27.6 - | - C192 H152 Cl14 Cu16 N80 O110.4 - | 4 | 0.5 | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard | Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine Ligands: Structural and Magnetic Studies | Inorganic Chemistry | 1,999 | 38 | 5266 | 5276 | 10.1021/ic990598f | 1.5418 | CuKα | 0.1108 | 0.08 | null | 0.086 | null | 0.085 | null | null | 4.305 | null | null | 4.99 | null | null | has coordinates | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard
Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine ... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,298 | 20.076 | 0.002 | 6.831 | 0.002 | 20.113 | 0.001 | 90 | null | 90 | null | 90 | null | 2,758.3 | 0.9 | 293 | null | null | null | null | null | null | null | Kristallisation (Propanol/Hexan) | 4 | P n a 21 | P 2c -2n | 33 | - C24 H30 N10 O8 - | - C24 H30 N10 O8 - | - C96 H120 N40 O32 - | 4 | 1 | SH1093 | Gzella, A.; Wrzeciono, U. | Struktur der Molekularverbindung von 3,5-Dinitroindazol und Piperidin. 39. Azole | Acta Crystallographica Section C | 1,995 | 51 | 3 | 484 | 487 | 10.1107/S0108270194008930 | 1.54178 | CuKα | null | 0.035 | null | null | 0.034 | null | null | null | null | 2.8675 | 2.8675 | null | null | null | has coordinates | Gzella, A.; Wrzeciono, U.
Struktur der Molekularverbindung von 3,5-Dinitroindazol und Piperidin. 39. Azole
Acta Crystallographica Section C
51(3)
(1995)
484-487 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,299 | 9.452 | 0.006 | 14.33 | 0.016 | 11.826 | 0.004 | 90 | null | 112.98 | 0.04 | 90 | null | 1,475 | 2 | 295 | null | null | null | null | null | null | null | recrystallization from DMSO | 3 | P 1 21/n 1 | -P 2yn | 14 | - C18 H19 N3 - | - C18 H19 N3 - | - C72 H76 N12 - | 4 | 1 | VJ1005 | Parihar, D. S.; Bohra, R.; Prasad, R. N.; Nagar, P. N. | An Imidazo[1,2-<i>a</i>]pyrazine Derivative, C~18~H~19~N~3~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 482 | 484 | 10.1107/S0108270194009017 | 0.71069 | MoKα | null | 0.048 | null | null | 0.05 | null | null | null | null | 0.51 | 0.51 | null | null | null | has coordinates | Parihar, D. S.; Bohra, R.; Prasad, R. N.; Nagar, P. N.
An Imidazo[1,2-<i>a</i>]pyrazine Derivative, C~18~H~19~N~3~
Acta Crystallographica Section C
51(3)
(1995)
482-484 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,300 | 8.877 | 0.002 | 12.179 | 0.003 | 9.734 | 0.002 | 90 | null | 106.11 | 0.02 | 90 | null | 1,011 | 0.4 | 294 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C23 H30 O4 - | - C23 H30 O4 - | - C46 H60 O8 - | 2 | 1 | VJ1006 | Bidya Sagar, M.; Ravikumar, K.; Rama Rao, A. V.; Machender Reddy, M.; Singh, A. K. | Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). II. Structure of a β-Epoxy Steroid | Acta Crystallographica Section C | 1,995 | 51 | 3 | 451 | 454 | 10.1107/S0108270194008589 | 0.71069 | MoKα | null | 0.046 | null | null | 0.053 | null | null | null | null | 0.952 | 0.952 | null | null | null | has coordinates | Bidya Sagar, M.; Ravikumar, K.; Rama Rao, A. V.; Machender Reddy, M.; Singh, A. K.
Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). II. Structure of a β-Epoxy Steroid
Acta Crystallographica Section C
51(3)
(1995)
451-454 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,301 | 9.24 | 0.002 | 10.761 | 0.002 | 15.217 | 0.003 | 90 | null | 90 | null | 90 | null | 1,513.1 | 0.5 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H22 O4 - | - C17 H22 O4 - | - C68 H88 O16 - | 4 | 1 | VJ1007 | Ravikumar, K.; Chandra Mohan, K.; Shekharam, T.; Yadav, J. S. | The Diels–Alder Reaction Product of β-Ionone and Maleic Anhydride | Acta Crystallographica Section C | 1,995 | 51 | 3 | 449 | 451 | 10.1107/S010827019401067X | 0.71073 | MoKα | null | 0.039 | null | null | 0.045 | null | null | null | null | 0.884 | 0.884 | null | null | null | has coordinates | Ravikumar, K.; Chandra Mohan, K.; Shekharam, T.; Yadav, J. S.
The Diels–Alder Reaction Product of β-Ionone and Maleic Anhydride
Acta Crystallographica Section C
51(3)
(1995)
449-451 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,302 | 6.6532 | 0.0006 | 7.1539 | 0.0004 | 20.3786 | 0.0013 | 90 | null | 93.473 | 0.007 | 90 | null | 968.17 | 0.12 | 293 | 2 | 293 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 3'-methoxy spiro [bicyclo[3.1.0] hexane-6,16'-estra [1,3,5(10)] triene]-17'-one | - C24 H30 O2 - | - C24 H30 O2 - | - C48 H60 O4 - | 2 | 1 | AB1170 | Hooft, R. W. W.; Kroon, J. | 3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one | Acta Crystallographica Section C | 1,995 | 51 | 4 | 721 | 723 | 10.1107/S0108270194008899 | 1.54184 | CuKα | null | 0.03 | null | null | 0.034 | null | null | null | null | 0.18 | 0.18 | null | null | null | has coordinates | Hooft, R. W. W.; Kroon, J.
3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one
Acta Crystallographica Section C
51(4)
(1995)
721-723 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,303 | 10.716 | 0.001 | 17.431 | 0.004 | 35.029 | 0.007 | 90 | null | 90 | null | 90 | null | 6,543 | 2 | 295 | null | 295 | null | null | null | null | null | The title compound was prepared by the interaction of cis-[PtCl~2~(PMe~2~Ph)~2~] with triphenylsilane in boiling benzene--triethylamine solution (Chatt, Earborn, Ibekwe & Kapoor, 1967). Single crystals were formed on cooling to room temperature. | 6 | P b c a | -P 2ac 2ab | 61 | - C34 H37 Cl P2 Pt Si - | - C34 H34 Cl P2 Pt Si - | - C272 H272 Cl8 P16 Pt8 Si8 - | 8 | 1 | AB1204 | Kapoor, P.; Lövqvist, K.; Oskarsson, Å. | The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 4 | 611 | 613 | 10.1107/S0108270194011170 | 0.7107 | MoKα | null | 0.0299 | null | null | 0.0336 | null | null | null | null | 1.302 | 1.302 | null | null | null | has coordinates | Kapoor, P.; Lövqvist, K.; Oskarsson, Å.
The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]
Acta Crystallographica Section C
51(4)
(1995)
611-613 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,304 | 9.604 | 0.006 | 9.994 | 0.004 | 16.072 | 0.005 | 90 | null | 103.68 | 0.03 | 90 | null | 1,498.9 | 1.2 | 173 | 1 | 173 | 1 | null | null | null | null | Crystals of (I) were grown by slow evaporation of an aqueous acetone solution at room temperature. | 3 | P 1 21 1 | P 2yb | 4 | 3-O-benzoyl-4,6:4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribotrehalose | 3-O-benzoyl-4,6-O-benzylidene-2-deoxy-α-D-ribohexopyranosyl 4,6-O- benzylidene-2-deoxy-α-D-ribohexopyranoside | - C33 H34 O10 - | - C33 H34 O10 - | - C66 H68 O20 - | 2 | 1 | AB1243 | Linden, A.; Lee, C. K. | 3-<i>O</i>-Benzoyl-4,6;4',6'-di-<i>O</i>-benzylidene-2,2'-dideoxy-α,α-<i>ribo</i>-trehalose | Acta Crystallographica Section C | 1,995 | 51 | 4 | 747 | 751 | 10.1107/S010827019401440X | 0.71069 | MoKα | 0.0804 | 0.0416 | null | 0.0347 | 0.0317 | null | null | null | null | 1.577 | 1.577 | null | null | null | has coordinates | Linden, A.; Lee, C. K.
3-<i>O</i>-Benzoyl-4,6;4',6'-di-<i>O</i>-benzylidene-2,2'-dideoxy-α,α-<i>ribo</i>-trehalose
Acta Crystallographica Section C
51(4)
(1995)
747-751 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,305 | 9.326 | 0.002 | 11.991 | 0.003 | 7.964 | 0.001 | 94.58 | 0.02 | 105.39 | 0.02 | 113.84 | 0.03 | 767.5 | 0.4 | 297 | null | null | null | null | null | null | null | chemical synthesis | 4 | P -1 | -P 1 | 2 | 5-Ethoxymethyl-1-[1-ethyl-2,4-dioxo-5- (pyrimidinyl)methyl]uracil | - C14 H18 N4 O5 - | - C14 H18 N4 O5 - | - C28 H36 N8 O10 - | 2 | 1 | AS1096 | Yamaguchi, K.; Tanaka, H.; Matsumoto, K.; Kittaka, A.; Miyasaka, T. | A Dimeric Uracil Derivative | Acta Crystallographica Section C | 1,995 | 51 | 4 | 754 | 756 | 10.1107/S0108270194001034 | 1.5405 | CuKα~1~ | null | 0.042 | null | null | 0.043 | null | null | null | null | 1.81 | 1.81 | null | null | null | has coordinates | Yamaguchi, K.; Tanaka, H.; Matsumoto, K.; Kittaka, A.; Miyasaka, T.
A Dimeric Uracil Derivative
Acta Crystallographica Section C
51(4)
(1995)
754-756 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,306 | 11.549 | 0.003 | 3.756 | 0.001 | 16.442 | 0.008 | 90 | 0.03 | 104.94 | 0.03 | 90 | 0.02 | 689.1 | 0.4 | 298 | null | null | null | null | null | null | null | from water solution | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H5 N O3 - | - C8 H5 N O3 - | - C32 H20 N4 O12 - | 4 | 1 | AS1104 | Miao, F.-M.; Wang, J.-L.; Miao, X.-S. | <i>N</i>-Hydroxyphthalimide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 712 | 713 | 10.1107/S0108270194007638 | 0.71073 | MoKα | null | 0.041 | null | null | 0.045 | null | null | null | null | 0.685 | 0.685 | null | null | null | has coordinates | Miao, F.-M.; Wang, J.-L.; Miao, X.-S.
<i>N</i>-Hydroxyphthalimide
Acta Crystallographica Section C
51(4)
(1995)
712-713 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,307 | 7.847 | 0.002 | 12.691 | 0.003 | 7.395 | 0.002 | 101.77 | 0.02 | 116.2 | 0.02 | 74.31 | 0.02 | 633.1 | 0.3 | 293 | null | null | null | null | null | null | null | chemical synthesis | 7 | P -1 | -P 1 | 2 | - C10 H8 Cl2 N2 O S V - | - C10 H8 Cl2 N2 O S V - | - C20 H16 Cl4 N4 O2 S2 V2 - | 2 | 1 | AS1119 | Kondo, M.; Kawata, S.; Kitagawa, S.; Kiso, H.; Munakata, M. | An Oxovanadium(IV) Complex Chelated by Dipyridyl Sulfide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 567 | 569 | 10.1107/S0108270194008127 | 0.71069 | MoKα | null | 0.035 | null | null | 0.04 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Kondo, M.; Kawata, S.; Kitagawa, S.; Kiso, H.; Munakata, M.
An Oxovanadium(IV) Complex Chelated by Dipyridyl Sulfide
Acta Crystallographica Section C
51(4)
(1995)
567-569 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,308 | 6.985 | 0.004 | 16.056 | 0.022 | 16.566 | 0.017 | 81.92 | 0.1 | 85.05 | 0.07 | 79.34 | 0.08 | 1,804 | 3 | 133 | null | null | null | null | null | null | null | natural product isolated from the powdered roots of Phormium cookianum | 3 | P -1 | -P 1 | 2 | - C10 H10 O4 - | - C10 H10 O4 - | - C80 H80 O32 - | 8 | 4 | AS1120 | Gainsford, G. J. | Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol | Acta Crystallographica Section C | 1,995 | 51 | 4 | 709 | 712 | 10.1107/S0108270194009753 | 0.71073 | MoKα | null | 0.051 | null | null | 0.111 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Gainsford, G. J.
Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol
Acta Crystallographica Section C
51(4)
(1995)
709-712 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,309 | 7.043 | 0.002 | 18.142 | 0.007 | 7.238 | 0.002 | 90 | null | 96.44 | 0.02 | 90 | null | 919 | 0.5 | 133 | null | null | null | null | null | null | null | natural product isolated from Phormium cookianum | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H12 O4 - | - C10 H12 O4 - | - C40 H48 O16 - | 4 | 1 | AS1120 | Gainsford, G. J. | Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol | Acta Crystallographica Section C | 1,995 | 51 | 4 | 709 | 712 | 10.1107/S0108270194009753 | 0.71073 | MoKα | null | 0.04 | null | null | 0.052 | null | null | null | null | 1.74 | 1.74 | null | null | null | has coordinates | Gainsford, G. J.
Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol
Acta Crystallographica Section C
51(4)
(1995)
709-712 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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4,322,399 | 12.0509 | 0.0006 | 12.7498 | 0.0006 | 23.1208 | 0.0011 | 93.105 | 0.001 | 100.15 | 0.001 | 108.505 | 0.001 | 3,292.9 | 0.3 | 193 | 2 | 193 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C48 H53 N23.5 Ni4 O24.5 - | - C48 H53 N23.5 Ni4 O24.5 - | - C96 H106 N47 Ni8 O49 - | 2 | 1 | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard | Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine Ligands: Structural and Magnetic Studies | Inorganic Chemistry | 1,999 | 38 | 5266 | 5276 | 10.1021/ic990598f | 0.71073 | MoKα | 0.0871 | 0.0659 | null | 0.2171 | 0.1992 | null | null | null | 1.03 | 1.086 | 1.086 | null | null | null | has coordinates | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard
Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine ... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,310 | 10.127 | 0.002 | 4.87 | 0.002 | 15.811 | 0.002 | 90 | null | 106.61 | 0.01 | 90 | null | 747.2 | 0.4 | 296 | null | null | null | null | null | null | null | evaporation from 50% ethanol | 3 | P 1 21/a 1 | -P 2yab | 14 | - C8 H8 O4 - | - C8 H8 O4 - | - C32 H32 O16 - | 4 | 1 | AS1128 | Okabe, N.; Kohyama, Y. | Homogentisic Acid | Acta Crystallographica Section C | 1,995 | 51 | 4 | 761 | 763 | 10.1107/S0108270194010176 | 0.71069 | MoKα | null | 0.051 | null | null | 0.049 | null | null | null | null | 1.47 | 1.47 | null | null | null | has coordinates | Okabe, N.; Kohyama, Y.
Homogentisic Acid
Acta Crystallographica Section C
51(4)
(1995)
761-763 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,311 | 10.114 | 0.003 | 12.013 | 0.009 | 9.368 | 0.004 | 122.59 | 0.04 | 90.11 | 0.03 | 98.31 | 0.04 | 944.6 | 1 | 298 | null | 298 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Samarium Octamolybdate | dodecaaquasamarium octamolybdate hexahydrate | - H36 Mo8 O45 Sm2 - | - Mo8 O45 Sm2 - | - Mo8 O45 Sm2 - | 1 | 0.5 | AS1146 | Yamase, T.; Ozeki, T.; Kawashima, I. | Photoluminescent Samarium Octamolybdate | Acta Crystallographica Section C | 1,995 | 51 | 4 | 545 | 547 | 10.1107/S0108270194012205 | 0.71069 | MoKα | null | 0.061 | null | null | 0.061 | null | null | null | null | 2.11 | 2.11 | null | null | null | has coordinates | Yamase, T.; Ozeki, T.; Kawashima, I.
Photoluminescent Samarium Octamolybdate
Acta Crystallographica Section C
51(4)
(1995)
545-547 | 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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2,003,312 | 11.844 | 0.001 | 12.871 | 0.001 | 15.237 | 0.002 | 90 | null | 90 | null | 90 | null | 2,322.8 | 0.4 | 293 | null | 293 | null | null | null | null | null | 7 | P 21 21 21 | P 2ac 2ab | 19 | Dibromo[bis(o-N,N-dimethylaminomethylphenyl)methylsilanol]cobalt(II) | - C19 H28 Br2 Co N2 O Si - | - C19 H28 Br2 Co N2 O Si - | - C76 H112 Br8 Co4 N8 O4 Si4 - | 4 | 1 | BK1030 | Baggio, R. F.; Garland, M. T.; Manzur, J.; Spodine, E. | [Bis(<i>o</i>-dimethylaminomethylphenyl)methylsilanol-<i>N</i>,<i>O</i>]dibromocobalt(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 602 | 604 | 10.1107/S0108270194009200 | 0.71073 | MoKα | 0.056 | 0.039 | null | 0.055 | 0.049 | null | null | null | null | 0.83 | 0.83 | null | null | null | has coordinates | Baggio, R. F.; Garland, M. T.; Manzur, J.; Spodine, E.
[Bis(<i>o</i>-dimethylaminomethylphenyl)methylsilanol-<i>N</i>,<i>O</i>]dibromocobalt(II)
Acta Crystallographica Section C
51(4)
(1995)
602-604 | 194,583 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-29 15:46:26 +0300 (Wed, 29 Mar 2017) $
#$Revision: 194583 $
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2,003,313 | 11.832 | 0.003 | 14.05 | 0.003 | 18.049 | 0.003 | 90 | null | 90 | null | 90 | null | 3,000.5 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | Triethylammonium bis(mercaptobenzoato)(cis-dioxomolibdato(VI)) | - C26 H40 Mo N2 O6 S2 - | - C26 H40 Mo N2 O6 S2 - | - C104 H160 Mo4 N8 O24 S8 - | 4 | 1 | BK1032 | Li-Kao, J.; González, O.; Baggio, R. F.; Garland, M. T.; Carrillo, D. | Bis(triethylammonium) Bis(2-mercaptobenzoato-<i>O</i>,<i>S</i>)dioxomolybdate(VI) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 575 | 578 | 10.1107/S0108270194011236 | 0.71073 | MoKα | 0.0441 | 0.033 | null | 0.0879 | 0.08 | null | null | null | 1.044 | 1.045 | 1.045 | null | null | null | has coordinates | Li-Kao, J.; González, O.; Baggio, R. F.; Garland, M. T.; Carrillo, D.
Bis(triethylammonium) Bis(2-mercaptobenzoato-<i>O</i>,<i>S</i>)dioxomolybdate(VI)
Acta Crystallographica Section C
51(4)
(1995)
575-578 | 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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2,003,314 | 7.36 | 0.002 | 9.793 | 0.002 | 19.369 | 0.002 | 90 | null | 90 | null | 90 | null | 1,396 | 0.5 | 296 | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H18 Cl2 O2 Pt S2 - | - C8 H18 Cl2 O2 Pt S2 - | - C32 H72 Cl8 O8 Pt4 S8 - | 4 | 1 | BK1039 | De Azevedo, Jnr, W. F.; Mascarenhas, Y. P.; De Sousa, G. F.; Filgueiras, C. A. L. | <i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 619 | 621 | 10.1107/S0108270194009868 | 0.71073 | MoKα | null | 0.047 | null | null | 0.052 | null | null | null | null | 1.43 | 1.43 | null | null | null | has coordinates | De Azevedo, Jnr, W. F.; Mascarenhas, Y. P.; De Sousa, G. F.; Filgueiras, C. A. L.
<i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II)
Acta Crystallographica Section C
51(4)
(1995)
619-621 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,315 | 9.138 | 0.002 | 9.172 | 0.003 | 13.598 | 0.006 | 103.34 | 0.03 | 92.01 | 0.03 | 114.3 | 0.02 | 999.8 | 0.6 | 153 | null | null | null | null | null | null | null | from (Me~3~Si)~3~SiLi and Cl-SiMe~2~-SiMe~2~-Cl | 3 | P -1 | -P 1 | 2 | - C22 H66 Si10 - | - C22 H66 Si10 - | - C22 H66 Si10 - | 1 | 0.5 | BK1051 | Lambert, J. B.; Pflug, J. L.; Allgeier, A. M.; Campbell, D. J.; Higgins, T. B.; Singewald, E. T.; Stern, C. L. | A Branched Polysilane | Acta Crystallographica Section C | 1,995 | 51 | 4 | 713 | 715 | 10.1107/S0108270194009704 | 0.71069 | MoKα | null | 0.024 | null | null | 0.033 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Lambert, J. B.; Pflug, J. L.; Allgeier, A. M.; Campbell, D. J.; Higgins, T. B.; Singewald, E. T.; Stern, C. L.
A Branched Polysilane
Acta Crystallographica Section C
51(4)
(1995)
713-715 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,316 | 10.734 | 0.003 | 13.096 | 0.004 | 13.712 | 0.004 | 72.34 | 0.02 | 72.07 | 0.02 | 71.82 | 0.02 | 1,695.9 | 0.9 | 188 | 1 | 188 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (N-[Methoxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene) | - C40 H34 N2 O9 - | - C41 H30 N2 O9.5 - | - C82 H60 N4 O19 - | 2 | 1 | BK1061 | Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E. | Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A | Acta Crystallographica Section C | 1,995 | 51 | 4 | 782 | 786 | 10.1107/S0108270194010231 | 0.71073 | MoKα | 0.0576 | 0.0437 | null | 0.0563 | 0.0543 | null | null | null | null | 1.83 | 1.83 | null | null | null | has coordinates | Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.
Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A
Acta Crystallographica Section C
51(4)
(1995)
782-786 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,317 | 10.747 | 0.003 | 11.529 | 0.003 | 11.661 | 0.002 | 89.82 | 0.02 | 70.51 | 0.02 | 67.43 | 0.02 | 1,244.7 | 0.6 | 173 | 1 | 173 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (N-[Adamantyloxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene) | - C30 H31 N O5 - | - C31 H27 N O5 - | - C62 H54 N2 O10 - | 2 | 1 | BK1061 | Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E. | Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A | Acta Crystallographica Section C | 1,995 | 51 | 4 | 782 | 786 | 10.1107/S0108270194010231 | 0.71073 | MoKα | 0.0678 | 0.053 | null | 0.0713 | 0.0692 | null | null | null | null | 2.297 | 2.297 | null | null | null | has coordinates | Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.
Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A
Acta Crystallographica Section C
51(4)
(1995)
782-786 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,318 | 12.491 | 0.001 | 12.368 | 0.001 | 15.655 | 0.001 | 90 | null | 109.72 | 0.01 | 90 | null | 2,276.7 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C21 H35 N Ni P2 - | - C21 H35 N Ni P2 - | - C84 H140 N4 Ni4 P8 - | 4 | 1 | BK1063 | VanderLende, D. D.; Boncella, J. M.; Abboud, K. A. | <i>trans</i>-[Ni(Me~3~Ph)(NHPh)(PMe~3~)~2~], a Monomeric Ni^II^‒Amide Complex | Acta Crystallographica Section C | 1,995 | 51 | 4 | 591 | 593 | 10.1107/S0108270194011534 | 0.71073 | MoKα | null | 0.0445 | null | null | 0.0478 | null | null | null | null | 1.36 | 1.36 | null | null | null | has coordinates | VanderLende, D. D.; Boncella, J. M.; Abboud, K. A.
<i>trans</i>-[Ni(Me~3~Ph)(NHPh)(PMe~3~)~2~], a Monomeric Ni^II^‒Amide Complex
Acta Crystallographica Section C
51(4)
(1995)
591-593 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,319 | 6.197 | 0.001 | 9.348 | 0.002 | 9.713 | 0.002 | 83.9 | 0.01 | 84.97 | 0.01 | 85.85 | 0.02 | 556.2 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | see text | 4 | P -1 | -P 1 | 2 | Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone | Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone | - C24 H32 N2 O4 - | - C24 H32 N2 O4 - | - C24 H32 N2 O4 - | 1 | 0.5 | BK1067 | Raptova, L.; Rapta, M.; Horak, V. | Ethylenediamine-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-2,2'-di-6-<i>tert</i>-butyl-1,4-benzoquinone | Acta Crystallographica Section C | 1,995 | 51 | 4 | 734 | 736 | 10.1107/S0108270194011091 | 0.71073 | MoKα | 0.0769 | 0.0531 | null | 0.1598 | 0.1372 | null | null | null | 1.021 | 1.054 | 1.054 | null | null | null | has coordinates | Raptova, L.; Rapta, M.; Horak, V.
Ethylenediamine-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-2,2'-di-6-<i>tert</i>-butyl-1,4-benzoquinone
Acta Crystallographica Section C
51(4)
(1995)
734-736 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$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/2/00/33/2003319.cif $
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2,003,320 | 9.415 | 0.003 | 8.103 | 0.002 | 11.957 | 0.003 | 90 | null | 90 | null | 90 | null | 912.2 | 0.4 | 130 | 2 | 130 | 2 | null | null | null | null | 5 | P m n 21 | P 2ac -2 | 31 | aminobenzyl-dioxocyclam nickel(II) | (6-(p-aminobenzyl)-1,4,8,11-tetraazacyclotetradecane-5,7-dione)nickel(II) | - C17 H25 N5 Ni O2 - | - C17 H25 N5 Ni O2 - | - C34 H50 N10 Ni2 O4 - | 2 | 0.5 | BK1076 | Moran, J. K.; Olmstead, M. M.; Meares, C. F. | An Aminobenzyldioxocyclam Nickel(II) Complex | Acta Crystallographica Section C | 1,995 | 51 | 4 | 621 | 623 | 10.1107/S0108270194011753 | 0.71073 | MoKα | 0.0345 | 0.0291 | null | 0.0709 | 0.0667 | null | null | null | 1.022 | 1.024 | 1.024 | null | null | null | has coordinates | Moran, J. K.; Olmstead, M. M.; Meares, C. F.
An Aminobenzyldioxocyclam Nickel(II) Complex
Acta Crystallographica Section C
51(4)
(1995)
621-623 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,321 | 13.778 | 0.002 | 13.2816 | 0.0013 | 26.188 | 0.003 | 90 | null | 90 | null | 90 | null | 4,792.2 | 1 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | P b c a | -P 2ac 2ab | 61 | azidotetrakis(trimethylphosphine)nickel(II) tetrafluoroborate | - C12 H36 B F4 N3 Ni P4 - | - C12 H36 B F4 N3 Ni P4 - | - C96 H288 B8 F32 N24 Ni8 P32 - | 8 | 1 | BK1077 | Carson, C. C.; Pike, R. D.; Carpenter, G. B. | Azidotetrakis(trimethylphosphine)nickel(II) Tetrafluoroborate | Acta Crystallographica Section C | 1,995 | 51 | 4 | 595 | 598 | 10.1107/S0108270194010553 | 0.71073 | MoKα | 0.1242 | 0.0577 | null | 0.1529 | 0.1337 | null | null | null | 0.852 | 1.106 | 1.106 | null | null | null | has coordinates,has disorder | Carson, C. C.; Pike, R. D.; Carpenter, G. B.
Azidotetrakis(trimethylphosphine)nickel(II) Tetrafluoroborate
Acta Crystallographica Section C
51(4)
(1995)
595-598 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,322 | 22.5 | 0.003 | 6.0128 | 0.0005 | 13.254 | 0.0015 | 90 | null | 102.446 | 0.01 | 90 | null | 1,751 | 0.3 | 183 | 1 | 183 | 1 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 4,7-Dimethoxybenzo[c]furan | - C10 H10 O3 - | - C10 H10 O3 - | - C80 H80 O24 - | 8 | 1 | BK1080 | Lynch, V. M.; Fairhurst, R. A.; Magnus, P.; Davis, B. E. | 4,7-Dimethoxybenzo[<i>c</i>]furan | Acta Crystallographica Section C | 1,995 | 51 | 4 | 780 | 782 | 10.1107/S0108270194010152 | 0.71073 | MoKα | 0.0569 | 0.0374 | null | 0.0463 | 0.0416 | null | null | null | null | 1.302 | 1.302 | null | null | null | has coordinates | Lynch, V. M.; Fairhurst, R. A.; Magnus, P.; Davis, B. E.
4,7-Dimethoxybenzo[<i>c</i>]furan
Acta Crystallographica Section C
51(4)
(1995)
780-782 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$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/2/00/33/2003322.cif $
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2,003,323 | 15.818 | 0.002 | 15.818 | 0.002 | 7.087 | 0.001 | 90 | null | 90 | null | 120 | null | 1,535.7 | 0.3 | 297 | null | null | null | null | null | null | null | Paraiba, Brazil | 6 | R 3 m :H | R 3 -2" | 160 | - Al8 B3 Li Na O31 Si6 - | - Al6 B3 Li3 Na O31 Si6 - | - Al18 B9 Li9 Na3 O93 Si18 - | 3 | 0.166667 | BR1070 | MacDonald, D. J.; Hawthorne, F. C. | Cu-Bearing Tourmaline from Paraiba, Brazil | Acta Crystallographica Section C | 1,995 | 51 | 4 | 555 | 557 | 10.1107/S0108270194008243 | 0.71073 | MoKα | null | 0.022 | null | null | 0.025 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | MacDonald, D. J.; Hawthorne, F. C.
Cu-Bearing Tourmaline from Paraiba, Brazil
Acta Crystallographica Section C
51(4)
(1995)
555-557 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/33/2003323.cif $
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2,003,324 | 15.805 | 0.002 | 15.805 | 0.002 | 7.084 | 0.001 | 90 | null | 90 | null | 120 | null | 1,532.5 | 0.3 | 297 | null | null | null | null | null | null | null | Paraiba, Brazil | 6 | R 3 m :H | R 3 -2" | 160 | - Al8 B3 Li Na O31 Si6 - | - Al6 B3 Li3 Na O31 Si6 - | - Al18 B9 Li9 Na3 O93 Si18 - | 3 | 0.166667 | BR1070 | MacDonald, D. J.; Hawthorne, F. C. | Cu-Bearing Tourmaline from Paraiba, Brazil | Acta Crystallographica Section C | 1,995 | 51 | 4 | 555 | 557 | 10.1107/S0108270194008243 | 0.71073 | MoKα | null | 0.02 | null | null | 0.023 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | MacDonald, D. J.; Hawthorne, F. C.
Cu-Bearing Tourmaline from Paraiba, Brazil
Acta Crystallographica Section C
51(4)
(1995)
555-557 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/33/2003324.cif $
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2,003,325 | 5.833 | 0.002 | 6.593 | 0.003 | 7.73 | 0.003 | 80.97 | 0.03 | 81.11 | 0.03 | 76.43 | 0.03 | 283.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | Hydrothermal synthesis from NiCl~2~.6H~2~O and NaVO~3~. | 4 | P -1 | -P 1 | 2 | Nickel(II) Metavanadate Monohydrate | Nickel(II) divanadium(V)hexaoxide monohydrate | - H4 Ni2 O14 V4 - | - Ni2 O14 V4 - | - Ni2 O14 V4 - | 1 | 0.5 | BR1075 | Marcos, M. D.; Amorós, P.; Beltrán-Porter, A.; Ramírez de Arellano, M. C. | Hydrothermal Synthesis and Structure of Nickel(II) Metavanadate Monohydrate, NiV~2~O~6~.H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 4 | 552 | 555 | 10.1107/S0108270194006797 | 0.71073 | MoKα | 0.0575 | 0.0487 | null | 0.1359 | 0.1284 | null | null | null | 1.088 | 1.108 | 1.108 | null | null | null | has coordinates | Marcos, M. D.; Amorós, P.; Beltrán-Porter, A.; Ramírez de Arellano, M. C.
Hydrothermal Synthesis and Structure of Nickel(II) Metavanadate Monohydrate, NiV~2~O~6~.H~2~O
Acta Crystallographica Section C
51(4)
(1995)
552-555 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,326 | 8.889 | 0.001 | 7.998 | 0.001 | 12.237 | 0.001 | 90 | null | 103.82 | 0.01 | 90 | null | 844.79 | 0.16 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - B2 Cs2 Ga2 O7 - | - B2 Cs2 Ga2 O7 - | - B8 Cs8 Ga8 O28 - | 4 | 1 | BR1078 | Smith, R. W. | Cs~2~Ga~2~O(BO~3~)~2~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 547 | 549 | 10.1107/S0108270194009418 | 0.71069 | MoKα | null | 0.054 | null | null | 0.069 | null | null | null | null | 2.53 | 2.53 | null | null | null | has coordinates | Smith, R. W.
Cs~2~Ga~2~O(BO~3~)~2~
Acta Crystallographica Section C
51(4)
(1995)
547-549 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,327 | 7.805 | 0.001 | 15.157 | 0.002 | 6.094 | 0.001 | 100.9 | 0.01 | 92.99 | 0.01 | 86.71 | 0.01 | 706.12 | 0.18 | 296 | null | 296 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | carbonic dihydrazide, bis(3-fluorophenylmethylene)- | - C15 H12 F2 N4 O - | - C15 H12 F2 N4 O - | - C30 H24 F4 N8 O2 - | 2 | 1 | CR1090 | Meyers, C. Y.; Kolb, V. M.; Robinson, P. D. | Dimeric Hydrogen-Bonded Structure of Bis(3-fluorophenylmethine)carbonohydrazide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 775 | 777 | 10.1107/S0108270194011492 | 0.71069 | MoKα | null | 0.044 | null | null | 0.051 | null | null | null | null | 1.92 | 1.92 | null | null | null | has coordinates | Meyers, C. Y.; Kolb, V. M.; Robinson, P. D.
Dimeric Hydrogen-Bonded Structure of Bis(3-fluorophenylmethine)carbonohydrazide
Acta Crystallographica Section C
51(4)
(1995)
775-777 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,328 | 8.109 | 0.003 | 11.845 | 0.005 | 12.364 | 0.005 | 71.08 | 0.03 | 76.82 | 0.03 | 87.62 | 0.03 | 1,093.1 | 0.8 | 298 | null | null | null | null | null | null | null | Recrystallization from chloroform | 4 | P -1 | -P 1 | 2 | - C10 H10 Cl2 Zr - | - C10 H10 Cl2 Zr - | - C40 H40 Cl8 Zr4 - | 4 | 2 | CR1136 | Corey, J. Y.; Zhu, X.-H.; Brammer, L.; Rath, N. P. | Zirconocene Dichloride | Acta Crystallographica Section C | 1,995 | 51 | 4 | 565 | 567 | 10.1107/S0108270194011509 | 0.71073 | MoKα | null | 0.032 | null | null | 0.0379 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Corey, J. Y.; Zhu, X.-H.; Brammer, L.; Rath, N. P.
Zirconocene Dichloride
Acta Crystallographica Section C
51(4)
(1995)
565-567 | 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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4,322,398 | 14.3573 | 0.0004 | 10.891 | 0.0006 | 20.536 | 0.001 | 90 | null | 96.975 | 0.004 | 90 | null | 3,187.4 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 2/n 1 | -P 2yac | 13 | - C22 H27 Cu2 N14 O12.5 - | - C22 H27 Cu2 N14 O12.5 - | - C88 H108 Cu8 N56 O50 - | 4 | 1 | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard | Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine Ligands: Structural and Magnetic Studies | Inorganic Chemistry | 1,999 | 38 | 5266 | 5276 | 10.1021/ic990598f | 0.71073 | MoKα | 0.0431 | 0.0326 | null | null | 0.0721 | 0.0784 | null | null | null | null | null | 1.065 | null | null | has coordinates,has disorder | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard
Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine ... | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,003,329 | 6.718 | 0.002 | 12.27 | 0.004 | 13.273 | 0.004 | 64.19 | 0.02 | 81.76 | 0.02 | 89.25 | 0.02 | 973.3 | 0.6 | 295 | null | null | null | null | null | null | null | W. Zajac, Villanova Univ. | 4 | P -1 | -P 1 | 2 | - C9 H12 N2 O4 - | - C9 H12 N2 O4 - | - C36 H48 N8 O16 - | 4 | 2 | CR1141 | George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R. | 3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 703 | 706 | 10.1107/S0108270194011868 | 0.71069 | MoKα | null | 0.05 | null | null | 0.048 | null | null | null | null | 1.68 | 1.68 | null | null | null | has coordinates | George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.
3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~
Acta Crystallographica Section C
51(4)
(1995)
703-706 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,330 | 7.169 | 0.001 | 10.875 | 0.001 | 13.842 | 0.002 | 90 | null | 90 | null | 90 | null | 1,079.2 | 0.2 | 295 | null | null | null | null | null | null | null | W. Zajac, Villanova Univ. | 4 | P 21 c n | P -2n 2a | 33 | - C9 H11 N3 O6 - | - C9 H11 N3 O6 - | - C36 H44 N12 O24 - | 4 | 1 | CR1141 | George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R. | 3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 703 | 706 | 10.1107/S0108270194011868 | 1.5418 | CuKα | null | 0.032 | null | null | 0.042 | null | null | null | null | 1.83 | 1.83 | null | null | null | has coordinates | George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.
3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~
Acta Crystallographica Section C
51(4)
(1995)
703-706 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,331 | 12.61 | 0.003 | 16.038 | 0.004 | 12.106 | 0.003 | 111.51 | 0.02 | 107.92 | 0.02 | 94.07 | 0.02 | 2,120.1 | 1 | 294 | null | 294 | null | null | null | null | null | Synthesis (Legzdins, Rettig & S\'anchez, 1988) | 6 | P -1 | -P 1 | 2 | (η^5^-Cyclopentadienyl)nitrosyl(trimethylsilylmethyl) (N-trimethylsilylmethyl-N-nitrosohydroxylaminato)tungsten | - C13 H27 N3 O3 Si2 W - | - C13 H27 N3 O3 Si2 W - | - C52 H108 N12 O12 Si8 W4 - | 4 | 2 | CR1148 | Evans, S. V.; Legzdins, P.; Rettig, S. J.; Sánchez, L.; Trotter, J. | A Tungsten Nitrosyl Complex | Acta Crystallographica Section C | 1,995 | 51 | 4 | 584 | 586 | 10.1107/S0108270194010942 | 0.7093 | MolybdenumKα~1~ | null | 0.05 | null | null | 0.046 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Evans, S. V.; Legzdins, P.; Rettig, S. J.; Sánchez, L.; Trotter, J.
A Tungsten Nitrosyl Complex
Acta Crystallographica Section C
51(4)
(1995)
584-586 | 190,984 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,332 | 10.0077 | 0.0006 | 10.0077 | 0.0006 | 7.4342 | 0.0008 | 90 | null | 90 | null | 120 | null | 644.81 | 0.09 | 295 | 2 | null | null | null | null | null | null | 4 | P 63/m | -P 6c | 176 | - F O12 Sr5 V3 - | - F0.98 Nd0.061 O12 Sr4.909 V2.916 - | - F1.96 Nd0.122 O24 Sr9.818 V5.832 - | 2 | 0.166667 | DU1084 | Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B. | Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F | Acta Crystallographica Section C | 1,995 | 51 | 4 | 549 | 551 | 10.1107/S0108270194006906 | 0.71069 | MoKα | null | 0.022 | null | null | 0.027 | null | null | null | null | 0.87 | 0.87 | null | null | null | has coordinates | Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.
Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F
Acta Crystallographica Section C
51(4)
(1995)
549-551 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,333 | 9.7156 | 0.0004 | 9.7156 | 0.0004 | 7.281 | 0.0003 | 90 | null | 90 | null | 120 | null | 595.2 | 0.04 | 295 | 2 | null | null | null | null | null | null | 4 | P 63/m | -P 6c | 176 | - F O12 P3 Sr5 - | - F Nd0.027 O12 P2.925 Sr4.959 - | - F2 Nd0.054 O24 P5.85 Sr9.918 - | 2 | 0.166667 | DU1084 | Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B. | Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F | Acta Crystallographica Section C | 1,995 | 51 | 4 | 549 | 551 | 10.1107/S0108270194006906 | 0.71069 | MoKα | null | 0.023 | null | null | 0.029 | null | null | null | null | 0.84 | 0.84 | null | null | null | has coordinates | Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.
Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F
Acta Crystallographica Section C
51(4)
(1995)
549-551 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,334 | 9.987 | 0.004 | 12.937 | 0.004 | 8.921 | 0.002 | 90 | null | 90 | null | 90 | null | 1,152.6 | 0.6 | 295 | null | null | null | null | null | null | null | benzene-acetic acid (9:1) | 3 | P 21 21 2 | P 2 2ab | 18 | - C14 H10 O4 - | - C14 H10 O4 - | - C56 H40 O16 - | 4 | 1 | FG1008 | Parvez, M.; Simion, D.; Lario, P.; Sorensen, T. S. | Absolute Configuration of (<i>S</i>,<i>S</i>)-1,2-Dihydro-1,2-<i>trans</i>-acenaphthylenedicarboxylic Acid | Acta Crystallographica Section C | 1,995 | 51 | 4 | 644 | 646 | 10.1107/S0108270194011480 | 0.71069 | MoKα | null | 0.0414 | null | null | 0.0457 | null | null | null | null | 1.97 | 1.97 | null | null | null | has coordinates | Parvez, M.; Simion, D.; Lario, P.; Sorensen, T. S.
Absolute Configuration of (<i>S</i>,<i>S</i>)-1,2-Dihydro-1,2-<i>trans</i>-acenaphthylenedicarboxylic Acid
Acta Crystallographica Section C
51(4)
(1995)
644-646 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,335 | 8.155 | 0.013 | 8.546 | 0.008 | 8.681 | 0.011 | 102.47 | 0.09 | 117.42 | 0.11 | 93.41 | 0.11 | 515.5 | 1.3 | 291 | 2 | 291 | 2 | null | null | null | null | cooling to 253 K | 4 | P -1 | -P 1 | 2 | Bis(η^5^-indenyl)tetrakis(μ~2~-iodo)dimolybdenum | - C18 H14 I4 Mo2 - | - C18 H14 I4 Mo2 - | - C18 H14 I4 Mo2 - | 1 | 0.5 | FG1020 | Falvello, L. R.; Mattamana, S. P.; Poli, R. | Bis(η^5^-indenyl)tetrakis(μ-iodo)dimolybdenum(<i>Mo</i>—<i>Mo</i>) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 569 | 571 | 10.1107/S010827019400870X | 0.71073 | MoKα | 0.0755 | 0.0467 | null | 0.1148 | 0.101 | null | null | null | 1.02 | 1.063 | 1.063 | null | null | null | has coordinates | Falvello, L. R.; Mattamana, S. P.; Poli, R.
Bis(η^5^-indenyl)tetrakis(μ-iodo)dimolybdenum(<i>Mo</i>—<i>Mo</i>)
Acta Crystallographica Section C
51(4)
(1995)
569-571 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,336 | 12.398 | 0.002 | 10.057 | 0.001 | 10.177 | 0.001 | 90 | null | 109.65 | 0.01 | 90 | null | 1,195 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (R*,R*)-α-(1-Methoxy-3-methylenecyclopropyl)-cyclohexanemethanol | - C12 H20 O2 - | - C12 H20 O2 - | - C48 H80 O8 - | 4 | 1 | FG1036 | Delanghe, P. H. M.; Lautens, M.; Lough, A. J. | Two Highly Substituted Methylenecyclopropanes | Acta Crystallographica Section C | 1,995 | 51 | 4 | 700 | 703 | 10.1107/S0108270194011182 | 0.71073 | MoKα | 0.1272 | 0.0511 | null | 0.412 | 0.0799 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Delanghe, P. H. M.; Lautens, M.; Lough, A. J.
Two Highly Substituted Methylenecyclopropanes
Acta Crystallographica Section C
51(4)
(1995)
700-703 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,337 | 11.29 | 0.002 | 19.433 | 0.002 | 11.782 | 0.002 | 90 | null | 118.22 | 0.02 | 90 | null | 2,277.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (R*,R*)-α-(1-Methyl-3-methylenecyclopropyl)-cyclohexanemethanol | - C12 H20 O - | - C12 H20 O - | - C96 H160 O8 - | 8 | 2 | FG1036 | Delanghe, P. H. M.; Lautens, M.; Lough, A. J. | Two Highly Substituted Methylenecyclopropanes | Acta Crystallographica Section C | 1,995 | 51 | 4 | 700 | 703 | 10.1107/S0108270194011182 | 0.71073 | MoKα | 0.2353 | 0.0515 | null | 0.0743 | 0.061 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Delanghe, P. H. M.; Lautens, M.; Lough, A. J.
Two Highly Substituted Methylenecyclopropanes
Acta Crystallographica Section C
51(4)
(1995)
700-703 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,338 | 10.497 | 0.002 | 17.505 | 0.006 | 9.903 | 0.003 | 90 | null | 113.46 | 0.05 | 90 | null | 1,669.3 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | bis(isopropyldiphenylphosphineoxide)diiodocobalt(II) | - C30 H34 Co I2 O2 P2 - | - C30 H34 Co I2 O2 P2 - | - C60 H68 Co2 I4 O4 P4 - | 2 | 1 | FG1037 | Bauer, S. K.; Willis, C. J.; Payne, N. C. | Diiodobis(isopropyldiphenylphosphine oxide-<i>O</i>)cobalt(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 586 | 588 | 10.1107/S0108270194010978 | 0.71073 | MoKα | 0.0481 | 0.0354 | null | 0.0965 | 0.0865 | null | null | null | 1.064 | 1.06 | 1.06 | null | null | null | has coordinates | Bauer, S. K.; Willis, C. J.; Payne, N. C.
Diiodobis(isopropyldiphenylphosphine oxide-<i>O</i>)cobalt(II)
Acta Crystallographica Section C
51(4)
(1995)
586-588 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,339 | 18.205 | 0.002 | 7.282 | 0.002 | 11.022 | 0.002 | 90 | null | 100.62 | 0.02 | 90 | null | 1,436.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (1,1'-Ferrocenediyl)methylphenylsilane | - C17 H16 Fe Si - | - C17 H16 Fe Si - | - C68 H64 Fe4 Si4 - | 4 | 1 | FG1039 | Foucher, D. A.; Lough, A. J.; Manners, I.; Rasburn, J.; Vancso, J. G. | The First Unsymmetrically Substituted Ring-Tilted Silicon-Bridged [1]Ferrocenophane | Acta Crystallographica Section C | 1,995 | 51 | 4 | 580 | 582 | 10.1107/S010827019401190X | 0.71073 | MoKα | 0.0738 | 0.0399 | null | 0.0501 | 0.0468 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Foucher, D. A.; Lough, A. J.; Manners, I.; Rasburn, J.; Vancso, J. G.
The First Unsymmetrically Substituted Ring-Tilted Silicon-Bridged [1]Ferrocenophane
Acta Crystallographica Section C
51(4)
(1995)
580-582 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,340 | 8.976 | 0.001 | 10.8 | 0.001 | 27.401 | 0.003 | 90 | null | 90 | null | 90 | null | 2,656.3 | 0.5 | 293 | null | null | null | null | null | null | null | Recrystallized from methanol | 3 | P 21 21 21 | P 2ac 2ab | null | - C28 H36 O8 - | - C28 H36 O8 - | - C112 H144 O32 - | 4 | 1 | GR0163 | Wang, Q.; Tu, Y. | A New Bioactive β-Dihydroagarofuran Sesquiterpenoid | Acta Crystallographica Section C | 1,995 | 51 | 4 | 732 | 734 | 10.1107/S0108270193005219 | 0.7093 | MoKα | null | 0.037 | null | null | 0.035 | null | null | null | null | 0.241 | 0.241 | null | null | null | has coordinates | Wang, Q.; Tu, Y.
A New Bioactive β-Dihydroagarofuran Sesquiterpenoid
Acta Crystallographica Section C
51(4)
(1995)
732-734 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,341 | 6.027 | 0.003 | 11.177 | 0.003 | 10.715 | 0.004 | 90 | null | 97.03 | 0.04 | 90 | null | 716.4 | 0.5 | 100 | 0.2 | 100 | 0.2 | null | null | null | null | Reaction of 1,4,7-triazacyclononane with (MeO)~2~CHNMe~2~. A clear oil was obtained by vacuum distillation. | 3 | P 1 21/n 1 | -P 2yn | 14 | 1,4,7-triazatricyclo[5.2.1.0^4.10^]decane | - C7 H13 N3 - | - C7 H13 N3 - | - C28 H52 N12 - | 4 | 1 | HA1126 | Blake, A. J.; Fallis, I. A.; Gould, R. O.; Harris, S. G.; Parsons, S.; Ross, S. A.; Schröder, M. | 1,4,7-Triazatricyclo[5.2.1.0^4,10^]decane at 100 K | Acta Crystallographica Section C | 1,995 | 51 | 4 | 738 | 741 | 10.1107/S0108270194009546 | 0.71073 | MoKα | 0.0868 | 0.0607 | null | 0.192 | 0.1578 | null | null | null | 1.029 | 1.044 | 1.044 | null | null | null | has coordinates | Blake, A. J.; Fallis, I. A.; Gould, R. O.; Harris, S. G.; Parsons, S.; Ross, S. A.; Schröder, M.
1,4,7-Triazatricyclo[5.2.1.0^4,10^]decane at 100 K
Acta Crystallographica Section C
51(4)
(1995)
738-741 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,342 | 5.294 | 0.002 | 7.718 | 0.002 | 13.274 | 0.004 | 83.57 | 0.02 | 84.65 | 0.02 | 74.94 | 0.02 | 519.3 | 0.3 | 296 | null | 296 | null | null | null | null | null | Synthesized at UMIST | 4 | P -1 | -P 1 | 2 | 2-(2,6-Difluorophenyl)-1,3-dithiane | - C10 H10 F2 S2 - | - C10 H10 F2 S2 - | - C20 H20 F4 S4 - | 2 | 1 | HA1127 | Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E. | 2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation | Acta Crystallographica Section C | 1,995 | 51 | 4 | 772 | 775 | 10.1107/S0108270194011364 | 0.71069 | MoKα | null | 0.0297 | null | null | 0.0343 | null | null | null | null | 2.159 | 2.159 | null | null | null | has coordinates | Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.
2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation
Acta Crystallographica Section C
51(4)
(1995)
772-775 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,343 | 5.257 | 0.002 | 7.332 | 0.002 | 15.474 | 0.005 | 87.61 | 0.03 | 85.91 | 0.03 | 78.47 | 0.03 | 582.7 | 0.3 | 296 | null | 296 | null | null | null | null | null | Synthesized at UMIST | 5 | P -1 | -P 1 | 2 | 2-(2,6-Difluorophenyl)-1,3-dithiane-1,1,3,3-tetraoxide | - C10 H10 F2 O4 S2 - | - C10 H10 F2 O4 S2 - | - C20 H20 F4 O8 S4 - | 2 | 1 | HA1127 | Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E. | 2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation | Acta Crystallographica Section C | 1,995 | 51 | 4 | 772 | 775 | 10.1107/S0108270194011364 | 0.71069 | MoKα | null | 0.0301 | null | null | 0.0356 | null | null | null | null | 1.492 | 1.492 | null | null | null | has coordinates | Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.
2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation
Acta Crystallographica Section C
51(4)
(1995)
772-775 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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4,322,397 | 20.479 | 0.003 | 14.92 | 0.002 | 19.671 | 0.003 | 90 | null | 90.591 | 0.004 | 90 | null | 6,010.1 | 1.5 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C24 H20 Cu2 N12 O10.4 - | - C24 H20 Cu2 N12 O10.4 - | - C192 H160 Cu16 N96 O83.2 - | 8 | 1 | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard | Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine Ligands: Structural and Magnetic Studies | Inorganic Chemistry | 1,999 | 38 | 5266 | 5276 | 10.1021/ic990598f | 0.71073 | MoKα | 0.0875 | 0.065 | null | null | 0.1285 | 0.1365 | null | null | null | null | null | 1.536 | null | null | has coordinates,has disorder | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard
Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine ... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,344 | 12.392 | 0.002 | 5.694 | 0.0011 | 19.951 | 0.003 | 90 | null | 98.13 | 0.13 | 90 | null | 1,393.6 | 0.6 | 153 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C8 H18 O4 S4 - | - C8 H18 O4 S4 - | - C32 H72 O16 S16 - | 4 | 0.5 | HH1027 | Freeman, F.; Ma, X.-B.; Ziller, J. W.; Lin, R. I. | Bis(<i>tert</i>-butylsulfonyl) Disulfide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 661 | 663 | 10.1107/S010827019400781X | 0.71073 | MoKα | null | 0.041 | null | null | 0.045 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | Freeman, F.; Ma, X.-B.; Ziller, J. W.; Lin, R. I.
Bis(<i>tert</i>-butylsulfonyl) Disulfide
Acta Crystallographica Section C
51(4)
(1995)
661-663 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,345 | 5.9314 | 0.0008 | 18.92 | 0.003 | 15.866 | 0.002 | 90 | null | 91.474 | 0.012 | 90 | null | 1,779.9 | 0.4 | 168 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C24 H20 S - | - C24 H20 S - | - C96 H80 S4 - | 4 | 1 | HH1053 | Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E. | 3-Benzyl-5-phenyl-2-<i>p</i>-tolylthiophene | Acta Crystallographica Section C | 1,995 | 51 | 4 | 657 | 659 | 10.1107/S0108270194007833 | 0.71073 | MoKα | null | 0.043 | null | null | 0.055 | null | null | null | null | 2.23 | 2.23 | null | null | null | has coordinates | Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.
3-Benzyl-5-phenyl-2-<i>p</i>-tolylthiophene
Acta Crystallographica Section C
51(4)
(1995)
657-659 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,346 | 7.3431 | 0.0013 | 7.6239 | 0.0017 | 12.2209 | 0.002 | 78.411 | 0.016 | 78.381 | 0.014 | 79.439 | 0.015 | 649.2 | 0.2 | 158 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C32 H30 S2 - | - C32 H30 S2 - | - C32 H30 S2 - | 1 | 0.5 | HH1054 | Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E. | (1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(<i>p</i>-tolylmethylthio)-1,3-butadiene | Acta Crystallographica Section C | 1,995 | 51 | 4 | 659 | 661 | 10.1107/S0108270194007845 | 0.71073 | MoKα | null | 0.043 | null | null | 0.049 | null | null | null | null | 1.42 | 1.42 | null | null | null | has coordinates | Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.
(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(<i>p</i>-tolylmethylthio)-1,3-butadiene
Acta Crystallographica Section C
51(4)
(1995)
659-661 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,347 | 15.034 | 0.002 | 15.034 | 0.002 | 7.187 | 0.002 | 90 | null | 90 | null | 120 | null | 1,406.8 | 0.5 | 296 | null | null | null | null | null | null | null | acetone recrystallization | 4 | P 32 | P 32 | null | - C21 H28 N2 O2 - | - C21 H28 N2 O2 - | - C63 H84 N6 O6 - | 3 | 1 | HR1007 | Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L. | Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 666 | 670 | 10.1107/S0108270194007237 | 1.5418 | CuKα | 0.048 | 0.048 | null | 0.054 | 0.052 | null | null | null | null | null | null | null | null | null | has coordinates | Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.
Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)
Acta Crystallographica Section C
51(4)
(1995)
666-670 | 281,832 | 2023-03-13 | 7:38:35 | #------------------------------------------------------------------------------
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2,003,348 | 11.949 | 0.001 | 13.284 | 0.001 | 11.504 | 0.001 | 90 | null | 90 | null | 90 | null | 1,826 | 0.3 | 296 | null | null | null | null | null | null | null | acetone recrystallization | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C21 H28 N2 O2 - | - C21 H28 N2 O2 - | - C84 H112 N8 O8 - | 4 | 1 | HR1007 | Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L. | Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 666 | 670 | 10.1107/S0108270194007237 | 1.5418 | CuKα | null | 0.042 | null | null | 0.05 | null | null | null | null | null | null | null | null | null | has coordinates | Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.
Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)
Acta Crystallographica Section C
51(4)
(1995)
666-670 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,349 | 8.205 | 0.002 | 14.321 | 0.005 | 12.838 | 0.004 | 90 | null | 107.73 | 0.02 | 90 | null | 1,436.9 | 0.8 | 293 | null | null | null | null | null | null | null | Phillips (1959) | 4 | P 1 21/a 1 | -P 2yab | 14 | - C17 H14 N2 O2 - | - C17 H14 N2 O2 - | - C68 H56 N8 O8 - | 4 | 1 | HR1008 | Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W. | 2-Methyl-2-(2-methylphenylazo)-1,3-indandione | Acta Crystallographica Section C | 1,995 | 51 | 4 | 707 | 709 | 10.1107/S010827019400867X | 0.71073 | MoKα | null | 0.0529 | null | null | 0.0565 | null | null | null | null | null | null | null | null | null | has coordinates | Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W.
2-Methyl-2-(2-methylphenylazo)-1,3-indandione
Acta Crystallographica Section C
51(4)
(1995)
707-709 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,350 | 7.383 | 0.001 | 11.045 | 0.002 | 11.253 | 0.002 | 92.68 | 0.02 | 90.38 | 0.02 | 95.93 | 0.02 | 911.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1:1 molecular complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(N,N-dimethylamino)-trans-cinnamic acid | - C20 H16 F5 N O4 - | - C20 H16 F5 N O4 - | - C40 H32 F10 N2 O8 - | 2 | 1 | HR1028 | Goud, B. S.; Reddy, P. K.; Panneerselvam, K.; Desiraju, G. R. | 1:1 Molecular Complex of 2,3,4,5,6-Pentafluoro-<i>trans</i>-cinnamic Acid and 4-(<i>N</i>,<i>N</i>-Dimethylamino)-<i>trans</i>-cinnamic Acid | Acta Crystallographica Section C | 1,995 | 51 | 4 | 683 | 685 | 10.1107/S0108270194007894 | 0.71073 | MoKα | 0.0479 | 0.0329 | null | 0.0919 | 0.0875 | null | null | null | 0.909 | 1.064 | 1.064 | null | null | null | has coordinates | Goud, B. S.; Reddy, P. K.; Panneerselvam, K.; Desiraju, G. R.
1:1 Molecular Complex of 2,3,4,5,6-Pentafluoro-<i>trans</i>-cinnamic Acid and 4-(<i>N</i>,<i>N</i>-Dimethylamino)-<i>trans</i>-cinnamic Acid
Acta Crystallographica Section C
51(4)
(1995)
683-685 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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2,003,351 | 13.945 | 0.008 | 6.751 | 0.008 | 19.326 | 0.003 | 90 | null | 101.4 | 0.9 | 90 | null | 1,784 | 6 | 293 | null | null | null | null | null | null | null | From layering a solution of (I) in CHCl~3~ with petroleum (333-363 K)--piperidine | 4 | P 1 21/n 1 | -P 2yn | 14 | - C44 H26 Br4 N4 - | - C44 H26 Br4 N4 - | - C88 H52 Br8 N8 - | 2 | 0.5 | HU1026 | Zou, J.-Z.; Xu, Z.; Li, M.; You, X.-Z.; Wang, H.-Q. | 7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin, C~44~H~26~Br~4~N~4~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 760 | 761 | 10.1107/S0108270194000053 | 0.71073 | MoKα | null | 0.074 | null | null | 0.081 | null | null | null | null | 3.89 | 3.89 | null | null | null | has coordinates | Zou, J.-Z.; Xu, Z.; Li, M.; You, X.-Z.; Wang, H.-Q.
7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin, C~44~H~26~Br~4~N~4~
Acta Crystallographica Section C
51(4)
(1995)
760-761 | 204,127 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,352 | 9.475 | 0.001 | 8.57 | 0.001 | 9.194 | 0.001 | 90 | null | 97.43 | 0.009 | 90 | null | 740.29 | 0.14 | 293 | null | null | null | null | null | null | null | recrystallized from CH~2~Cl~2~ | 4 | P 1 21/a 1 | -P 2yab | 14 | - C8 H16 I2 S4 - | - C8 H12 I2 S4 - | - C16 H24 I4 S8 - | 2 | 0.5 | HU1090 | Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L. | Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 697 | 700 | 10.1107/S0108270194010267 | 0.71069 | MoKα | null | 0.047 | null | null | 0.061 | null | null | null | null | 0.66 | 0.66 | null | null | null | has coordinates | Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L.
Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane)
Acta Crystallographica Section C
51(4)
(1995)
697-700 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,396 | 12.426 | 0.003 | 14.51 | 0.003 | 16.742 | 0.004 | 115.406 | 0.017 | 96.302 | 0.013 | 96.682 | 0.015 | 2,664.9 | 1.2 | 296 | 2 | 296 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C40.75 H55.75 N3 O4 Ru S2 Si4 Zr - | - C40.75 H55.75 N3 O4 Ru S2 Si4 Zr - | - C81.5 H111.5 N6 O8 Ru2 S4 Si8 Zr2 - | 2 | 1 | Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin | Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand | Inorganic Chemistry | 1,999 | 38 | 5282 | 5294 | 10.1021/ic990562n | 0.71073 | MoKα | 0.1602 | 0.0705 | null | null | 0.1505 | 0.1758 | null | null | null | null | null | 0.953 | null | null | has coordinates | Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin
Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand
Inorganic Chemistry
38
(1999)
5282-5294 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,353 | 7.221 | 0.002 | 7.262 | 0.001 | 14.67 | 0.002 | 76.97 | 0.01 | 82.28 | 0.01 | 79.4 | 0.01 | 733.2 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | Synthesis at Dept of Physics, Univ. of Durham | 3 | P -1 | -P 1 | 2 | Z-β-(1-diethylmethylimmonium)-α-cyano-4-styryldicyanomethanide | - C17 H16 N4 - | - C17 H16 N4 - | - C34 H32 N8 - | 2 | 1 | HU1101 | Cole, J. C.; Howard, J. A. K.; Cross, G. H.; Szablewski, M. | (<i>Z</i>)-{4-[1-Cyano-3-(diethyliminio)-1-propenyl]phenyl}dicyanomethanide, a Novel `Blue Window' Zwitterionic Molecule for Non-Linear Optics | Acta Crystallographica Section C | 1,995 | 51 | 4 | 715 | 718 | 10.1107/S0108270194006487 | 0.71073 | MoKα | 0.0965 | 0.0417 | null | 0.0866 | 0.0729 | null | null | null | 1.181 | 1.28 | 1.28 | null | null | null | has coordinates | Cole, J. C.; Howard, J. A. K.; Cross, G. H.; Szablewski, M.
(<i>Z</i>)-{4-[1-Cyano-3-(diethyliminio)-1-propenyl]phenyl}dicyanomethanide, a Novel `Blue Window' Zwitterionic Molecule for Non-Linear Optics
Acta Crystallographica Section C
51(4)
(1995)
715-718 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,354 | 10.06 | 0.002 | 19.793 | 0.004 | 10.251 | 0.002 | 90 | null | 118.9 | 0.1 | 90 | null | 1,787 | 1.8 | 20 | null | null | null | null | null | null | null | 7 | P 1 21 1 | P 2yb | 4 | - C28 H50 Cl2 N2 O8 Ru2 S2 - | - C28 H50 Cl2 N2 O8 Ru2 S2 - | - C56 H100 Cl4 N4 O16 Ru4 S4 - | 2 | 1 | HU1111 | Capper, G.; Davies, D. L.; Fawcett, J.; Russell, D. R. | [(η^6^-C~6~H~3~Me~3~)Ru(D-pen)]~2~Cl~2~.4H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 4 | 578 | 580 | 10.1107/S0108270194010218 | 0.7107 | MoKα | null | 0.0406 | null | null | 0.0434 | null | null | null | null | 1.096 | 1.096 | null | null | null | has coordinates | Capper, G.; Davies, D. L.; Fawcett, J.; Russell, D. R.
[(η^6^-C~6~H~3~Me~3~)Ru(D-pen)]~2~Cl~2~.4H~2~O
Acta Crystallographica Section C
51(4)
(1995)
578-580 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,355 | 8.563 | 0.003 | 21.871 | 0.001 | 27.728 | 0.011 | 90 | null | 90 | null | 90 | null | 5,193 | 3 | 150 | null | 150 | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | Tetrakis(acetonitrile)copper(I) hexafluorophosphate(V) Acetonitrile solvate (1/1) | - C10 H15 Cu F6 N5 P - | - C10 H15 Cu F6 N5 P - | - C120 H180 Cu12 F72 N60 P12 - | 12 | 3 | HU1132 | Black, J. R.; Levason, W.; Webster, M. | Tetrakis(acetonitrile-<i>N</i>)copper(I) Hexafluorophosphate(V) Acetonitrile Solvate | Acta Crystallographica Section C | 1,995 | 51 | 4 | 623 | 625 | 10.1107/S0108270194012527 | 0.71069 | MoKα | null | 0.0539 | null | null | 0.0678 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Black, J. R.; Levason, W.; Webster, M.
Tetrakis(acetonitrile-<i>N</i>)copper(I) Hexafluorophosphate(V) Acetonitrile Solvate
Acta Crystallographica Section C
51(4)
(1995)
623-625 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,356 | 9.684 | 0.002 | 12.764 | 0.002 | 16.773 | 0.003 | 76.84 | 0.01 | 75.11 | 0.01 | 71.03 | 0.01 | 1,871.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Octacarbonyl-μ-hydrido-dimanganese-μ~3~-cyclohexylphosphanido-gold-tri- cyclohexylphosphine | - C32 H45 Au Mn2 O8 P2 - | - C32 H45 Au Mn2 O8 P2 - | - C64 H90 Au2 Mn4 O16 P4 - | 2 | 1 | JZ1018 | Flörke, U.; Haupt, H.-J. | Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ~3~-[cyclohexylphosphanido(2-)]-μ-hydrido-1:2κ^2^<i>H</i>-tricyclohexylphosphine-3κ<i>P</i>-golddimanganese(<i>Mn</i>—<i>Mn</i>) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 573 | 575 | 10.1107/S0108270194011522 | 0.71073 | MoKα | 0.0574 | 0.0397 | null | 0.0935 | 0.0852 | null | null | null | 1.022 | 1.039 | 1.039 | null | null | null | has coordinates,has disorder | Flörke, U.; Haupt, H.-J.
Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ~3~-[cyclohexylphosphanido(2-)]-μ-hydrido-1:2κ^2^<i>H</i>-tricyclohexylphosphine-3κ<i>P</i>-golddimanganese(<i>Mn</i>—<i>Mn</i>)
Acta Crystallographica Section C
51(4)
(1995)
573-575 | 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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2,003,357 | 19.053 | 0.006 | 11.451 | 0.003 | 19.309 | 0.003 | 90 | null | 96.62 | 0.02 | 90 | null | 4,184.7 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C25 H25 N3 O - | - C25 H25 N3 O - | - C200 H200 N24 O8 - | 8 | 1 | KA1084 | Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J. | Two Antithrombotic Quinazolone Derivatives | Acta Crystallographica Section C | 1,995 | 51 | 4 | 723 | 726 | 10.1107/S0108270194003938 | 1.5418 | CuKα | 0.1066 | 0.0578 | null | 0.2101 | 0.1641 | null | null | null | 1.041 | 1.123 | 1.123 | null | null | null | has coordinates | Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.
Two Antithrombotic Quinazolone Derivatives
Acta Crystallographica Section C
51(4)
(1995)
723-726 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,358 | 7.423 | 0.001 | 20.54 | 0.001 | 9.1829 | 0.0007 | 90 | null | 101.448 | 0.008 | 90 | null | 1,372.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H15 N3 O - | - C17 H15 N3 O - | - C68 H60 N12 O4 - | 4 | 1 | KA1084 | Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J. | Two Antithrombotic Quinazolone Derivatives | Acta Crystallographica Section C | 1,995 | 51 | 4 | 723 | 726 | 10.1107/S0108270194003938 | 1.5418 | CuKα | 0.0657 | 0.053 | null | 0.1602 | 0.1454 | null | null | null | 1.122 | 1.167 | 1.167 | null | null | null | has coordinates | Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.
Two Antithrombotic Quinazolone Derivatives
Acta Crystallographica Section C
51(4)
(1995)
723-726 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,359 | 8.8937 | 0.0006 | 7.7404 | 0.0006 | 9.5873 | 0.0006 | 90 | null | 91.528 | 0.009 | 90 | null | 659.76 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 7,7-Dibromo-3-dibromomethylene-2,2-dimethyl-1-hydroxy-8,9,10,trinorbornane | - C10 H12 Br4 O - | - C10 H12 Br4 O - | - C20 H24 Br8 O2 - | 2 | 1 | KA1095 | Kubicki, M.; Dutkiewicz, G.; Antkowiak, W. Z. | 7,7-Dibromo-3-dibromomethylene-2,2-dimethylnorbornan-1-ol | Acta Crystallographica Section C | 1,995 | 51 | 4 | 736 | 738 | 10.1107/S0108270194009406 | 1.54178 | CuKα | 0.033 | 0.0329 | null | 0.091 | 0.0909 | null | null | null | 1.094 | 1.094 | 1.094 | null | null | null | has coordinates | Kubicki, M.; Dutkiewicz, G.; Antkowiak, W. Z.
7,7-Dibromo-3-dibromomethylene-2,2-dimethylnorbornan-1-ol
Acta Crystallographica Section C
51(4)
(1995)
736-738 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,360 | 8.756 | 0.004 | 14.611 | 0.006 | 18.979 | 0.008 | 90 | null | 101.21 | 0.04 | 90 | null | 2,381.7 | 1.8 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Bis(1,10-phenanthroline)bis(dicyanamide)copper(II) | - C28 H16 Cu N10 - | - C28 H16 Cu N10 - | - C112 H64 Cu4 N40 - | 4 | 1 | KA1097 | Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L. | Bis(dicyanamide)bis(1,10-phenanthroline)copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 600 | 602 | 10.1107/S0108270194012084 | 0.71069 | MoKα | 0.1193 | 0.0405 | null | 0.1177 | 0.0933 | null | null | null | 0.686 | 0.79 | 0.79 | null | null | null | has coordinates | Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.
Bis(dicyanamide)bis(1,10-phenanthroline)copper(II)
Acta Crystallographica Section C
51(4)
(1995)
600-602 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,361 | 7.353 | 0.009 | 10.805 | 0.007 | 9.959 | 0.011 | 90 | null | 93.2 | 0.1 | 90 | null | 790 | 1.4 | 148 | 2 | 148 | 2 | null | null | null | null | slow evaporation from hexane | 3 | P 1 21 1 | P 2yb | 4 | diosphenol | (Z)-12-hydroxy-14,15-dinorlabda-8(17),11-dien-13-one | - C18 H28 O2 - | - C18 H28 O2 - | - C36 H56 O4 - | 2 | 1 | KH1019 | Grant, P. K.; Hanton, L. R.; Wong, G. | (<i>Z</i>)-12-Hydroxy-14,15-dinorlabda-8(17),11-dien-13-one, C~18~H~28~O~2~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 743 | 744 | 10.1107/S0108270194014551 | 0.71069 | MoKα | 0.0683 | 0.0517 | null | 0.1464 | 0.1357 | null | null | null | 0.973 | 1.02 | 1.02 | null | null | null | has coordinates | Grant, P. K.; Hanton, L. R.; Wong, G.
(<i>Z</i>)-12-Hydroxy-14,15-dinorlabda-8(17),11-dien-13-one, C~18~H~28~O~2~
Acta Crystallographica Section C
51(4)
(1995)
743-744 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/33/2003361.cif $
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4,322,395 | 12.424 | 0.003 | 19.497 | 0.004 | 16.504 | 0.004 | 90 | null | 93.63 | 0.02 | 90 | null | 3,989.8 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C35 H47 N3 O2 Ru Si4 Ti - | - C35 H47 N3 O2 Ru Si4 Ti - | - C140 H188 N12 O8 Ru4 Si16 Ti4 - | 4 | 1 | Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin | Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand | Inorganic Chemistry | 1,999 | 38 | 5282 | 5294 | 10.1021/ic990562n | 0.71073 | MoKα | 0.0744 | 0.0431 | null | 0.1418 | 0.1042 | null | null | null | 1.076 | 1.128 | 1.128 | null | null | null | has coordinates | Lutz H. Gade; Martin Schubart; Bernd Findeis; Sylvie Fabre; Izoldi Bezougli; Matthias Lutz; Ian J. Scowen; Mary McPartlin
Synthesis and Reactivity of Early-Late Heterodinuclear Complexes Stabilized by a Trisilylsilane-Based Tripodal Amido Ligand
Inorganic Chemistry
38
(1999)
5282-5294 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322395.cif $
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2,003,362 | 9.672 | 0.002 | 11.69 | 0.002 | 19.184 | 0.004 | 90 | null | 95.12 | 0.02 | 90 | null | 2,160.4 | 0.7 | 293 | null | null | null | null | null | null | null | Crystallized from acetonitrile | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H12 N5 O0.5 - | - C10 H12 N5 O0.5 - | - C80 H96 N40 O4 - | 8 | 2 | LI1108 | Janes, R. W.; Palmer, R. A. | 3,5-Diamino-6-(2-methylphenyl)-1,2,4-triazine Monohydrate: an Analogue of Lamotrigine | Acta Crystallographica Section C | 1,995 | 51 | 4 | 685 | 688 | 10.1107/S0108270194009352 | 1.54178 | CuKα | null | 0.0566 | null | null | 0.0767 | null | null | null | null | 1.37 | 1.37 | null | null | null | has coordinates | Janes, R. W.; Palmer, R. A.
3,5-Diamino-6-(2-methylphenyl)-1,2,4-triazine Monohydrate: an Analogue of Lamotrigine
Acta Crystallographica Section C
51(4)
(1995)
685-688 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/33/2003362.cif $
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2,003,363 | 8.236 | 0.003 | 14.967 | 0.004 | 24.032 | 0.005 | 90 | null | 90 | null | 90 | null | 2,962.4 | 1.5 | 293 | null | 293 | null | null | null | null | null | recrystallized from a mixture of chloroform and ethanol | 4 | P 21 21 21 | P 2ac 2ab | 19 | P-chlorophenyl-3,4,6-tri-O-benzyl-2-deoxy-2-methylene-β-D-glucopyranoside | - C34 H33 Cl O5 - | - C34 H33 Cl O5 - | - C136 H132 Cl4 O20 - | 4 | 1 | LI1117 | Kabaleeswaran, V.; Rajan, S. S.; Booma, C.; Balasubramanian, K. K. | <i>p</i>-Chlorophenyl 3,4,6-Tri-<i>O</i>-benzyl-2-deoxy-2-methylene-β-<small>D</small>-glucopyranoside | Acta Crystallographica Section C | 1,995 | 51 | 4 | 758 | 759 | 10.1107/S0108270194010711 | 1.5418 | CuKα | 0.071 | 0.042 | null | 0.085 | 0.047 | null | null | null | 0.65 | 0.62 | 0.62 | null | null | null | has coordinates | Kabaleeswaran, V.; Rajan, S. S.; Booma, C.; Balasubramanian, K. K.
<i>p</i>-Chlorophenyl 3,4,6-Tri-<i>O</i>-benzyl-2-deoxy-2-methylene-β-<small>D</small>-glucopyranoside
Acta Crystallographica Section C
51(4)
(1995)
758-759 | 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/2/00/33/2003363.cif $
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2,003,364 | 10.648 | 0.002 | 12.589 | 0.003 | 18.594 | 0.004 | 90 | null | 90 | null | 90 | null | 2,492.5 | 0.9 | 233 | null | 233 | null | null | null | null | null | synthesized at UMIST | 5 | P b c a | -P 2ac 2ab | 61 | 1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1H,4H-indeno[1,2-c]pyrazole | - C13 H8 F6 N2 O - | - C13 H8 F6 N2 O - | - C104 H64 F48 N16 O8 - | 8 | 1 | LI1130 | Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E. | 1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole | Acta Crystallographica Section C | 1,995 | 51 | 4 | 770 | 772 | 10.1107/S0108270194011881 | 0.71069 | MoKα | null | 0.0387 | null | null | 0.0458 | null | null | null | null | 1.15 | 1.15 | null | null | null | has coordinates,has disorder | Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E.
1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole
Acta Crystallographica Section C
51(4)
(1995)
770-772 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,365 | 7.447 | 0.001 | 10.387 | 0.002 | 30.082 | 0.01 | 90 | null | 90 | null | 90 | null | 2,326.9 | 0.9 | 298 | null | null | null | null | null | null | null | synthesis | 5 | P 21 n b | P -2bc 2a | 33 | - C14 H36 Cl4 N2 Zn - | - C14 H36 Cl4 N2 Zn - | - C56 H144 Cl16 N8 Zn4 - | 4 | 1 | MU1079 | Guo, N.; Lin, Y.-H.; Xi, S.-Q. | Bis(<i>n</i>-heptylammonium) Tetrachlorozincate | Acta Crystallographica Section C | 1,995 | 51 | 4 | 617 | 619 | 10.1107/S0108270194009248 | 0.71073 | MoKα | null | 0.053 | null | null | 0.045 | null | null | null | null | 1.181 | 1.181 | null | null | null | has coordinates | Guo, N.; Lin, Y.-H.; Xi, S.-Q.
Bis(<i>n</i>-heptylammonium) Tetrachlorozincate
Acta Crystallographica Section C
51(4)
(1995)
617-619 | 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/2/00/33/2003365.cif $
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2,003,366 | 9.601 | 0.002 | 13.69 | 0.002 | 14.808 | 0.002 | 90 | null | 100.83 | 0.01 | 90 | null | 1,911.7 | 0.6 | 183 | null | null | null | null | null | null | null | crystallization from hexane | 4 | P 1 21/n 1 | -P 2yn | 14 | - C20 H32 N Ti - | - C20 H32 N Ti - | - C80 H128 N4 Ti4 - | 4 | 1 | MU1104 | Brady, E.; Telford, J. R.; Mitchell, G.; Lukens, W. | Amidobis(pentamethylcyclopentadienyl)titanium(III) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 558 | 560 | 10.1107/S0108270194005792 | 0.71073 | MoKα | null | 0.0353 | null | null | 0.0447 | null | null | null | null | 1.988 | 1.988 | null | null | null | has coordinates | Brady, E.; Telford, J. R.; Mitchell, G.; Lukens, W.
Amidobis(pentamethylcyclopentadienyl)titanium(III)
Acta Crystallographica Section C
51(4)
(1995)
558-560 | 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/2/00/33/2003366.cif $
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2,003,367 | 6.179 | 0.001 | 11.534 | 0.001 | 11.609 | 0.002 | 90 | null | 95.79 | 0.01 | 90 | null | 823.1 | 0.2 | 290 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H20 N2 Ni S4 - | - C10 H20 N2 Ni S4 - | - C20 H40 N4 Ni2 S8 - | 2 | 0.5 | MU1109 | Selvaraju, R.; Panchanatheswaran, K.; Thiruvalluvar, A.; Parthasarathi, V. | Redetermination of Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)nickel(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 606 | 608 | 10.1107/S0108270194010292 | 0.71073 | MoKα | null | 0.032 | null | null | 0.033 | null | null | null | null | 0.61 | 0.61 | null | null | null | has coordinates | Selvaraju, R.; Panchanatheswaran, K.; Thiruvalluvar, A.; Parthasarathi, V.
Redetermination of Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)nickel(II)
Acta Crystallographica Section C
51(4)
(1995)
606-608 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,368 | 12.835 | 0.003 | 17.596 | 0.003 | 16.015 | 0.003 | 90 | null | 90 | null | 90 | null | 3,616.9 | 1.2 | 298 | null | null | null | null | null | null | null | 7 | P b c a | -P 2ac 2ab | 61 | - C26 H44 Cl4 O2 P2 Pt2 S2 - | - C26 H44 Cl4 O2 P2 Pt2 S2 - | - C104 H176 Cl16 O8 P8 Pt8 S8 - | 4 | 0.5 | MU1113 | Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L. | The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 604 | 606 | 10.1107/S0108270194009108 | 0.71069 | MoKα | null | 0.0383 | null | null | 0.0428 | null | null | null | null | 0.89 | 0.89 | null | null | null | has coordinates | Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L.
The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~
Acta Crystallographica Section C
51(4)
(1995)
604-606 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,369 | 11.925 | 0.001 | 13.293 | 0.003 | 16.314 | 0.002 | 90 | null | 99.21 | 0.01 | 90 | null | 2,552.7 | 0.7 | 295 | null | null | null | null | null | null | null | from CH~2~Cl~2~/hexane | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C26 H24 Cl2 P2 Pd - | - C26 H24 Cl2 P2 Pd - | - C104 H96 Cl8 P8 Pd4 - | 4 | 1 | MU1120 | Singh, S.; Jha, N. K.; Narula, P.; Singh, T. P. | <i>cis</i>-Dichloro[bis(diphenylphosphino)ethane]palladium(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 593 | 595 | 10.1107/S0108270194007560 | 1.5418 | CuKα | null | 0.084 | null | null | 0.084 | null | null | null | null | 3.22 | 3.22 | null | null | null | has coordinates | Singh, S.; Jha, N. K.; Narula, P.; Singh, T. P.
<i>cis</i>-Dichloro[bis(diphenylphosphino)ethane]palladium(II)
Acta Crystallographica Section C
51(4)
(1995)
593-595 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,370 | 8.931 | 0.002 | 11.303 | 0.006 | 9.143 | 0.002 | 90 | null | 103.47 | 0.02 | 90 | null | 897.6 | 0.6 | 293 | 1 | null | null | null | null | null | null | Slow diffusion of water into a methanol solution at 277 K | 4 | P 1 21/m 1 | -P 2yb | 11 | - C11 H24 B10 Si - | - C11 H24 B10 Si - | - C22 H48 B20 Si2 - | 2 | 0.5 | MU1122 | McGrath, T. D.; Welch, A. J. | Steric Effects in Heteroboranes. V. 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 651 | 654 | 10.1107/S010827019400908X | 0.71069 | MoKα | null | 0.0643 | null | null | 0.0892 | null | null | null | null | 1.341 | 1.341 | null | null | null | has coordinates | McGrath, T. D.; Welch, A. J.
Steric Effects in Heteroboranes. V. 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~
Acta Crystallographica Section C
51(4)
(1995)
651-654 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,003,371 | 9.3854 | 0.0019 | 10.2938 | 0.0026 | 13.061 | 0.005 | 68.607 | 0.025 | 70.281 | 0.024 | 64.998 | 0.017 | 1,039.4 | 0.6 | 293 | 1 | null | null | null | null | null | null | slow diffusion of water into a methanol solution at 277K | 4 | P -1 | -P 1 | 2 | - C14 H30 B10 Si - | - C14 H30 B10 Si - | - C28 H60 B20 Si2 - | 2 | 1 | MU1123 | McGrath, T. D.; Welch, A. J. | Steric Effects in Heteroboranes. VI. 1-Ph-2-^<i>t^</i>BuMe~2~Si-1,2-<i>closo</i>-C~2~B~10~H~10~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 654 | 657 | 10.1107/S0108270194009078 | 0.71069 | MoKα | null | 0.0836 | null | null | 0.0939 | null | null | null | null | 1.351 | 1.351 | null | null | null | has coordinates | McGrath, T. D.; Welch, A. J.
Steric Effects in Heteroboranes. VI. 1-Ph-2-^<i>t^</i>BuMe~2~Si-1,2-<i>closo</i>-C~2~B~10~H~10~
Acta Crystallographica Section C
51(4)
(1995)
654-657 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,372 | 10.076 | 0.001 | 11.372 | 0.001 | 10.571 | 0.001 | 90 | null | 100.33 | 0.02 | 90 | null | 1,191.6 | 0.2 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H10 Cu N2 O6 - | - C12 H10 Cu N2 O6 - | - C48 H40 Cu4 N8 O24 - | 4 | 1 | MU1125 | Ravikumar, K.; Swamy, G. Y. S. K.; Venkata Lakshmi, N. | Structure of a Coordination Polymer Reminiscent of the Pleated Sheets Observed in Polypeptides: Diaqua(2,2'-bipyridine-3,3'-dicarboxylato)copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 608 | 611 | 10.1107/S0108270194009789 | 0.71069 | MoKα | null | 0.048 | null | null | 0.045 | null | null | null | null | 1.47 | 1.47 | null | null | null | has coordinates | Ravikumar, K.; Swamy, G. Y. S. K.; Venkata Lakshmi, N.
Structure of a Coordination Polymer Reminiscent of the Pleated Sheets Observed in Polypeptides: Diaqua(2,2'-bipyridine-3,3'-dicarboxylato)copper(II)
Acta Crystallographica Section C
51(4)
(1995)
608-611 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,394 | 12.1416 | 0.0008 | 12.889 | 0.0009 | 17.3455 | 0.0013 | 84.18 | 0.002 | 80.976 | 0.002 | 64.847 | 0.002 | 2,424.8 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C41 H28 Cl F26 O P2 Rh - | - C41 H28 Cl F26 O P2 Rh - | - C82 H56 Cl2 F52 O2 P4 Rh2 - | 2 | 1 | Dale C. Smith; Edwin D. Stevens; Steven P. Nolan | Synthetic, Thermochemical, and Catalytic Studies of Fluorinated Tertiary Phosphine Ligands R2PRf [R = Cy, Ph, iPr; Rf= CH'2CH2(CF2)5CF3] in Rhodium Systems | Inorganic Chemistry | 1,999 | 38 | 5277 | 5281 | 10.1021/ic990430u | 0.71073 | MoKα | 0.192 | 0.0766 | null | null | 0.1875 | 0.2039 | null | null | null | null | null | 0.807 | null | null | has coordinates | Dale C. Smith; Edwin D. Stevens; Steven P. Nolan
Synthetic, Thermochemical, and Catalytic Studies of Fluorinated Tertiary Phosphine Ligands R2PRf [R = Cy, Ph, iPr; Rf= CH'2CH2(CF2)5CF3] in Rhodium Systems
Inorganic Chemistry
38
(1999)
5277-5281 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
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2,003,373 | 7.997 | 0.004 | 9.746 | 0.006 | 10.979 | 0.002 | 78.87 | 0.03 | 70.26 | 0.03 | 79.48 | 0.04 | 783.8 | 0.7 | 296 | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C26 H34 N2 Ni O4 P2 S4 - | - C26 H34 N2 Ni O4 P2 S4 - | - C26 H34 N2 Ni O4 P2 S4 - | 1 | 0.5 | MU1127 | Huang, X.-Y.; Xiong, R.-G.; Dong, J.-X.; You, X.-Z. | <i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ2<i>S</i>,<i>S</i>')bis(isoquinoline-κ<i>N</i>)nickel(II) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 598 | 600 | 10.1107/S0108270194011327 | 0.71069 | MoKα | null | 0.049 | null | null | 0.066 | null | null | null | null | 1.84 | 1.84 | null | null | null | has coordinates | Huang, X.-Y.; Xiong, R.-G.; Dong, J.-X.; You, X.-Z.
<i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ2<i>S</i>,<i>S</i>')bis(isoquinoline-κ<i>N</i>)nickel(II)
Acta Crystallographica Section C
51(4)
(1995)
598-600 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,374 | 17.519 | 0.002 | 7.1971 | 0.0008 | 25.835 | 0.003 | 90 | null | 90.487 | 0.011 | 90 | null | 3,257.3 | 0.6 | 240 | 2 | 240 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H39 O18 S3 Ti - | - C21 H29 O18 S3 Ti - | - C84 H116 O72 S12 Ti4 - | 4 | 1 | MU1139 | Aquino, M. A. S.; Clegg, W.; Liu, Q.-T.; Sykes, A. G. | Hexaaquatitanium(III) Tris(<i>p</i>-Toluenesulfonate) Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 4 | 560 | 562 | 10.1107/S0108270194010826 | 0.71073 | MoKα | 0.1138 | 0.0656 | null | 0.228 | 0.1722 | null | null | null | 1.049 | 1.048 | 1.048 | null | null | null | has coordinates,has Fobs | Aquino, M. A. S.; Clegg, W.; Liu, Q.-T.; Sykes, A. G.
Hexaaquatitanium(III) Tris(<i>p</i>-Toluenesulfonate) Trihydrate
Acta Crystallographica Section C
51(4)
(1995)
560-562 | 209,447 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,375 | 7.0278 | 0.0003 | 10.855 | 0.0005 | 15.6339 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,192.66 | 0.09 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C9 H7 Cl3 N2 O3 - | - C9 H7 Cl3 N2 O3 - | - C36 H28 Cl12 N8 O12 - | 4 | 1 | MU1141 | Clegg, W.; Pogue, H. J.; Lowe, M. P.; Butterfield, I. M.; Jackson, R. F. W. | <i>p</i>-Nitrobenzyl Trichloroacetimidate | Acta Crystallographica Section C | 1,995 | 51 | 4 | 741 | 743 | 10.1107/S0108270194010838 | 0.71073 | MoKα | 0.0251 | 0.0228 | null | 0.0623 | 0.0597 | null | null | null | 1.041 | 1.031 | 1.031 | null | null | null | has coordinates | Clegg, W.; Pogue, H. J.; Lowe, M. P.; Butterfield, I. M.; Jackson, R. F. W.
<i>p</i>-Nitrobenzyl Trichloroacetimidate
Acta Crystallographica Section C
51(4)
(1995)
741-743 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,376 | 12.636 | 0.003 | 12.636 | 0.003 | 12.636 | 0.003 | 90 | null | 90 | null | 90 | null | 2,017.6 | 0.8 | 153 | 0.2 | 153 | 0.2 | null | null | null | null | The title compound was prepared according to the literature method (Fischer & Boltcher, 1957) and well-formed colourless octahedral crystals were grown by slow evaporation from nitromethane at room temperature. | 5 | P a -3 | -P 2ac 2ab 3 | 205 | Bis(η^6^-1,3,5-trimethylbenzene)ruthenium(II) tetrafluoroborate | - C18 H24 B2 F8 Ru - | - C18 H24 B2 F8 Ru - | - C72 H96 B8 F32 Ru4 - | 4 | 0.166667 | MU1142 | Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S. | The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K | Acta Crystallographica Section C | 1,995 | 51 | 4 | 582 | 584 | 10.1107/S0108270194010206 | 0.71073 | MoKα | 0.0601 | 0.0412 | null | 0.182 | 0.1102 | null | null | null | 1.171 | 1.056 | 1.056 | null | null | null | has coordinates | Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.
The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K
Acta Crystallographica Section C
51(4)
(1995)
582-584 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,377 | 12.0761 | 0.0006 | 12.2729 | 0.0006 | 21.0414 | 0.0014 | 90 | null | 90 | null | 90 | null | 3,118.5 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C28 H28 N4 O8 Zn2 - | - C28 H28 N4 O8 Zn2 - | - C112 H112 N16 O32 Zn8 - | 4 | 0.5 | MU1144 | Clegg, W.; Hunt, P. A.; Straughan, B. P. | Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines | Acta Crystallographica Section C | 1,995 | 51 | 4 | 613 | 617 | 10.1107/S0108270194011315 | 0.71073 | MoKα | 0.0418 | 0.0288 | null | 0.084 | 0.074 | null | null | null | 1.062 | 1.051 | 1.051 | null | null | null | has coordinates,has Fobs | Clegg, W.; Hunt, P. A.; Straughan, B. P.
Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines
Acta Crystallographica Section C
51(4)
(1995)
613-617 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,378 | 10.343 | 0.002 | 18.329 | 0.003 | 9.671 | 0.002 | 90 | null | 117.38 | 0.02 | 90 | null | 1,628 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H17 N O4 Zn - | - C15 H17 N O4 Zn - | - C60 H68 N4 O16 Zn4 - | 4 | 1 | MU1144 | Clegg, W.; Hunt, P. A.; Straughan, B. P. | Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines | Acta Crystallographica Section C | 1,995 | 51 | 4 | 613 | 617 | 10.1107/S0108270194011315 | 0.71073 | MoKα | 0.0899 | 0.0396 | null | 0.1129 | 0.0851 | null | null | null | 1.078 | 1.066 | 1.066 | null | null | null | has coordinates,has disorder,has Fobs | Clegg, W.; Hunt, P. A.; Straughan, B. P.
Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines
Acta Crystallographica Section C
51(4)
(1995)
613-617 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,379 | 21.47 | 0.006 | 16.765 | 0.002 | 9.6155 | 0.0014 | 90 | null | 90 | null | 90 | null | 3,461 | 1.2 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 7 | P n a 21 | P 2c -2n | 33 | Bis(triphenylphosphine)iminium Tetrachloro-oxo-molybdenum(V) | - C36 H30 Cl4 Mo N O P2 - | - C36 H30 Cl4 Mo N O P2 - | - C144 H120 Cl16 Mo4 N4 O4 P8 - | 4 | 1 | MU1151 | Blake, A. J.; Parsons, S.; Downs, A. J.; Limberg, C. | Bis(triphenylphosphine)iminium Tetrachlorooxomolybdenum(V) at 150 K | Acta Crystallographica Section C | 1,995 | 51 | 4 | 571 | 573 | 10.1107/S0108270194011303 | 0.71073 | MoKα | 0.0546 | 0.0422 | null | 0.0872 | 0.078 | null | null | null | 1.082 | 1.049 | 1.049 | null | null | null | has coordinates | Blake, A. J.; Parsons, S.; Downs, A. J.; Limberg, C.
Bis(triphenylphosphine)iminium Tetrachlorooxomolybdenum(V) at 150 K
Acta Crystallographica Section C
51(4)
(1995)
571-573 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,380 | 29.835 | 0.005 | 19.784 | 0.002 | 9.913 | 0.001 | 90 | null | 90 | null | 90 | null | 5,851.2 | 1.3 | 293 | null | null | null | null | null | null | null | Slow evaporation from benzene and acetonitrile solution | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C52 H78 N10 O11 - | - C52 H71 N10 O11 - | - C208 H284 N40 O44 - | 4 | 1 | NA1092 | Saviano, M.; Rossi, F.; Filizola, M.; Di Blasio, B.; Pedone, C. | [Aib^5,6^-<small>D</small>-Ala^8^]-Cyclolinopeptide A, Grown from a Benzene/Acetonitrile Mixture | Acta Crystallographica Section C | 1,995 | 51 | 4 | 663 | 666 | 10.1107/S0108270194006864 | 1.54056 | CuKα | null | 0.068 | null | null | 0.071 | null | null | null | null | 2.18 | 2.18 | null | null | null | has coordinates | Saviano, M.; Rossi, F.; Filizola, M.; Di Blasio, B.; Pedone, C.
[Aib^5,6^-<small>D</small>-Ala^8^]-Cyclolinopeptide A, Grown from a Benzene/Acetonitrile Mixture
Acta Crystallographica Section C
51(4)
(1995)
663-666 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,393 | 9.8828 | 0.0008 | 13.846 | 0.002 | 14.054 | 0.002 | 112.692 | 0.01 | 95.451 | 0.009 | 105.076 | 0.01 | 1,671.5 | 0.4 | 130 | 2 | 130 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Zn(OEBNMe~2~) | - C37 H49 N5 O Zn - | - C37 H49 N5 O Zn - | - C74 H98 N10 O2 Zn2 - | 2 | 1 | James A. Johnson; Marilyn M. Olmstead; Alan L. Balch | Reactivity of the Verdoheme Analogues. Opening of the Planar Macrocycle by Amide and Thiolate Nucleophiles To Form Helical Complexes | Inorganic Chemistry | 1,999 | 38 | 5379 | 5383 | 10.1021/ic9904283 | 1.54178 | CuKα | 0.1028 | 0.0763 | null | null | 0.2111 | 0.2296 | null | null | null | null | null | 1.045 | null | null | has coordinates | James A. Johnson; Marilyn M. Olmstead; Alan L. Balch
Reactivity of the Verdoheme Analogues. Opening of the Planar Macrocycle by Amide and Thiolate Nucleophiles To Form Helical Complexes
Inorganic Chemistry
38
(1999)
5379-5383 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,381 | 16.031 | 0.003 | 16.036 | 0.002 | 16.821 | 0.003 | 90 | null | 113.74 | 0.01 | 90 | null | 3,958.3 | 1.2 | 294 | null | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C9 H23 Cl4 O3 Rh S3 - | - C9 H23 Cl4 O3 Rh S3 - | - C72 H184 Cl32 O24 Rh8 S24 - | 8 | 2 | NA1100 | Calligaris, M.; Faleschini, P. | Dimethylacetonylsulfonium Tetrachlorobis(dimethyl sulfoxide-<i>S</i>)rhodate(III) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 588 | 591 | 10.1107/S0108270194010425 | 0.71069 | MoKα | null | 0.033 | null | null | 0.035 | null | null | null | null | 0.389 | 0.389 | null | null | null | has coordinates | Calligaris, M.; Faleschini, P.
Dimethylacetonylsulfonium Tetrachlorobis(dimethyl sulfoxide-<i>S</i>)rhodate(III)
Acta Crystallographica Section C
51(4)
(1995)
588-591 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,382 | 9.386 | 0.001 | 27.912 | 0.003 | 9.463 | 0.001 | 90 | null | 115.27 | 0.02 | 90 | null | 2,241.9 | 0.6 | 295 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C23 H26 N4 O5 - | - C23 H26 N4 O5 - | - C92 H104 N16 O20 - | 4 | 2 | NA1107 | Didierjean, C.; Aubry, A.; Zouikri, M.; Boussard, G.; Marraud, M. | Z-AzPro-AzPro-OBzl | Acta Crystallographica Section C | 1,995 | 51 | 4 | 688 | 690 | 10.1107/S0108270194012436 | 1.54056 | CuKα | null | 0.031 | null | null | 0.035 | null | null | null | null | 2.37 | 2.37 | null | null | null | has coordinates | Didierjean, C.; Aubry, A.; Zouikri, M.; Boussard, G.; Marraud, M.
Z-AzPro-AzPro-OBzl
Acta Crystallographica Section C
51(4)
(1995)
688-690 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,383 | 10.319 | 0.001 | 12.716 | 0.001 | 13.9132 | 0.0007 | 109.841 | 0.005 | 100.207 | 0.006 | 101.96 | 0.008 | 1,618.1 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Dibromobis(4-metoxyphenyl)tellurium(IV) | - C14 H14 Br2 O2 Te - | - C14 H14 Br2 O2 Te - | - C56 H56 Br8 O8 Te4 - | 4 | 2 | NA1109 | Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Germain, G.; Torres-Castellanos, L. | Dibromobis(4-methoxyphenyl)tellurium(IV) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 639 | 641 | 10.1107/S0108270194007122 | 0.71069 | MoKα | 0.0592 | 0.0311 | null | 0.08 | 0.0776 | null | null | null | 1.002 | 1.229 | 1.229 | null | null | null | has coordinates | Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Germain, G.; Torres-Castellanos, L.
Dibromobis(4-methoxyphenyl)tellurium(IV)
Acta Crystallographica Section C
51(4)
(1995)
639-641 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,384 | 15.976 | 0.004 | 16.627 | 0.004 | 23.67 | 0.006 | 90.08 | 0.02 | 89.97 | 0.02 | 69.16 | 0.02 | 5,876 | 3 | 230 | 2 | 230 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | tris[2,3-di(trimethylsilyl)-2,3-dicarba-1-lithia-closo- heptaborane-1κO;4κTb;5κ^2^Tb;6κTb]-tris[2,3-di(trimethylsilyl)-2,3-dicarba- 1-terba-closo-heptaborane-1κO';1κ^4^B;4κLi;5κ^2^Li;6κLi]-tris-μ~4~- tetrahydrofuranyllithium-μ~3~-methoxy-μ~3~-oxide | - C67 H165 B24 Li6 O5 Si12 Tb3 - | - C67 H165 B24 Li6 O5 Si12 Tb3 - | - C134 H330 B48 Li12 O10 Si24 Tb6 - | 2 | 1 | NA1110 | Zhang, H.; Oki, A. R.; Wang, Y.; Maguire, J. A.; Hosmane, N. S. | A Trinuclear Terbium(III)‒Carborane Cluster, [C~61~H~159~B~24~Li~6~O~5~Si~12~Tb~3~].C~6~H~6~ | Acta Crystallographica Section C | 1,995 | 51 | 4 | 635 | 638 | 10.1107/S0108270194008164 | 0.71073 | MoKα | 0.0332 | 0.0289 | null | 0.0793 | 0.0737 | null | null | null | 1.025 | 1.055 | 1.055 | null | null | null | has coordinates | Zhang, H.; Oki, A. R.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.
A Trinuclear Terbium(III)‒Carborane Cluster, [C~61~H~159~B~24~Li~6~O~5~Si~12~Tb~3~].C~6~H~6~
Acta Crystallographica Section C
51(4)
(1995)
635-638 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,385 | 5.518 | 0.001 | 13.059 | 0.005 | 18.246 | 0.004 | 90 | null | 90 | null | 90 | null | 1,314.8 | 0.6 | 298 | null | null | null | null | null | null | null | from methanolic solution | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C13 H20 N2 O4 - | - C13 H20 N2 O4 - | - C52 H80 N8 O16 - | 4 | 1 | NA1115 | Bombieri, G.; Del Pra, A.; Ayala, D. J.; Stradi, R.; Mantovanini, M. | (<i>S</i>)-({-})-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol <i>N</i>,<i>N</i>'-Dioxide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 642 | 644 | 10.1107/S0108270194012278 | 0.71069 | MoKα | null | 0.03 | null | null | 0.033 | null | null | null | null | 0.59 | 0.59 | null | null | null | has coordinates | Bombieri, G.; Del Pra, A.; Ayala, D. J.; Stradi, R.; Mantovanini, M.
(<i>S</i>)-({-})-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol <i>N</i>,<i>N</i>'-Dioxide
Acta Crystallographica Section C
51(4)
(1995)
642-644 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,386 | 12.653 | 0.001 | 11.233 | 0.001 | 11.388 | 0.001 | 90 | null | 98.4 | 0.01 | 90 | null | 1,601.2 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | chemical synthesis (Sannicolò, 1994). | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4H-cyclopenta[2,1-b;3,4-b']dithiophene | - C9 H6 S2 - | - C9 H6 S2 - | - C72 H48 S16 - | 8 | 2 | NA1119 | Pilati, T. | Five 3,3'-Bridged 2,2'-Dithiophenes | Acta Crystallographica Section C | 1,995 | 51 | 4 | 690 | 697 | 10.1107/S0108270194010516 | 0.71073 | MoKα | null | 0.031 | null | null | 0.035 | null | null | null | null | 1.951 | 1.951 | null | null | null | has coordinates | Pilati, T.
Five 3,3'-Bridged 2,2'-Dithiophenes
Acta Crystallographica Section C
51(4)
(1995)
690-697 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,387 | 21.792 | 0.004 | 21.792 | 0.004 | 12.566 | 0.002 | 90 | null | 90 | null | 120 | null | 5,168 | 1.6 | 295 | 2 | 295 | 2 | null | null | null | null | chemical synthesis (Sannicoló, 1994). | 3 | P -3 | null | spiro-[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,1'-cyclopentane] | - C13 H12 S2 - | - C13 H12 S2 - | - C234 H216 S36 - | 18 | 3 | NA1119 | Pilati, T. | Five 3,3'-Bridged 2,2'-Dithiophenes | Acta Crystallographica Section C | 1,995 | 51 | 4 | 690 | 697 | 10.1107/S0108270194010516 | 0.71073 | MoKα | null | 0.034 | null | null | 0.035 | null | null | null | null | 1.654 | 1.654 | null | null | null | has coordinates | Pilati, T.
Five 3,3'-Bridged 2,2'-Dithiophenes
Acta Crystallographica Section C
51(4)
(1995)
690-697 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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