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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,004,205 | 13.464 | 0.001 | 6.225 | 0.001 | 13.476 | 0.001 | 90 | null | 118.52 | null | 90 | null | 992.41 | 0.19 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C20 H25 N7 O3 - | - C20 H25 N7 O3 - | - C40 H50 N14 O6 - | 2 | 1 | BK1090 | Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D. | A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2575 | 2579 | 10.1107/S0108270194014952 | 0.71069 | MoKα | null | 0.057 | null | null | 0.034 | null | null | null | null | 1.653 | 1.653 | null | null | null | has coordinates | Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.
A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K
Acta Crystallographica Section C
51(12)
(1995)
2575-2579 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,206 | 13.397 | 0.001 | 6.171 | 0.001 | 13.331 | 0.001 | 90 | null | 118.44 | 0.01 | 90 | null | 969.1 | 0.2 | 107 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C20 H25 N7 O3 - | - C20 H25 N7 O3 - | - C40 H50 N14 O6 - | 2 | 1 | BK1090 | Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D. | A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2575 | 2579 | 10.1107/S0108270194014952 | 0.71069 | MoKα | null | 0.033 | null | null | 0.032 | null | null | null | null | 1.828 | 1.828 | null | null | null | has coordinates | Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.
A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K
Acta Crystallographica Section C
51(12)
(1995)
2575-2579 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,207 | 4.663 | 0.001 | 13.275 | 0.002 | 20.551 | 0.003 | 90 | null | 90 | null | 90 | null | 1,272.1 | 0.4 | 296 | null | null | null | null | null | null | null | 3 | P b c m | -P 2c 2b | 57 | - C12 H18 O5 - | - C12 H18 O5 - | - C48 H72 O20 - | 4 | 0.5 | BK1105 | Lalancette, R. A.; Thompson, H. W.; Coté, M. L. | <i>cis</i>-2-Oxo-1,3-cyclohexanedipropionic Acid: Structure and Hydrogen-Bonding Pattern of a δ-Keto 1,9-Diacid | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2617 | 2619 | 10.1107/S0108270195008493 | 0.71073 | MoKα | null | 0.049 | null | null | 0.053 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Lalancette, R. A.; Thompson, H. W.; Coté, M. L.
<i>cis</i>-2-Oxo-1,3-cyclohexanedipropionic Acid: Structure and Hydrogen-Bonding Pattern of a δ-Keto 1,9-Diacid
Acta Crystallographica Section C
51(12)
(1995)
2617-2619 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,208 | 5.7473 | 0.0006 | 6.8421 | 0.0008 | 32.155 | 0.004 | 90 | null | 90.634 | 0.008 | 90 | null | 1,264.4 | 0.3 | 297 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H16.5 O3.25 - | - C14 H16.534 O3.267 - | - C56 H66.136 O13.068 - | 4 | 1 | BK1110 | Coté, M. L.; Lalancette, R. A.; Long, D. J.; Thompson, H. W. | (±)-3-Oxo-<i>trans</i>-2-phenylcyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Partially Hydrated δ-Keto Acid | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2615 | 2617 | 10.1107/S0108270195008213 | 0.71073 | MoKα | null | 0.056 | null | null | 0.06 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Coté, M. L.; Lalancette, R. A.; Long, D. J.; Thompson, H. W.
(±)-3-Oxo-<i>trans</i>-2-phenylcyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Partially Hydrated δ-Keto Acid
Acta Crystallographica Section C
51(12)
(1995)
2615-2617 | 203,832 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,309 | 9.421 | 0.002 | 16.909 | 0.004 | 16.179 | 0.004 | 90 | null | 93.97 | 0.02 | 90 | null | 2,571.1 | 1 | 295 | null | 295 | null | null | null | null | null | chemical synthesis | 7 | P 1 21/n 1 | -P 2yn | 14 | - C22 H16 Cl4 Cu N4 O4 Re - | - C22 H17 Cl4 Cu N4 O4 Re - | - C88 H68 Cl16 Cu4 N16 O16 Re4 - | 4 | 1 | Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus | Synthesis, Crystal Structure, and Magnetic Properties of Tetraphenylarsonium Tetrachloro(oxalato)rhenate(IV) and Bis(2,2'-bipyridine)tetrachloro(μ-oxalato)copper(II)rhenium(IV) | Inorganic Chemistry | 1,999 | 38 | 4745 | 4752 | 10.1021/ic990376h | 0.71073 | MoKα | 5.31 | 4.37 | null | 6.13 | 6.52 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus
Synthesis, Crystal Structure, and Magnetic Properties of Tetraphenylarsonium Tetrachloro(oxalato)rhenate(IV) and Bis(2,2'-bipyridine)tetrachloro(μ-oxalato)copper(II)rhenium(IV)
Inorganic Chemistry
38
... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,209 | 11.3031 | 0.0008 | 10.9569 | 0.0012 | 16.7039 | 0.0014 | 90 | null | 105.644 | 0.006 | 90 | null | 1,992.1 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Tribenzyltin acetate | Tribenzyltin acetate | - C23 H24 O2 Sn - | - C23 H24 O2 Sn - | - C92 H96 O8 Sn4 - | 4 | 1 | BK1129 | Ferguson, G.; Spalding, T. R.; O'Dowd, A. T.; O'Shea, K. C. | Tribenzyltin Acetate, a Redetermination | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2546 | 2548 | 10.1107/S010827019500816X | 0.7107 | MolybdenumKα | 0.0382 | 0.0261 | null | 0.0724 | 0.0693 | null | null | null | 1.068 | 1.153 | 1.153 | null | null | null | has coordinates | Ferguson, G.; Spalding, T. R.; O'Dowd, A. T.; O'Shea, K. C.
Tribenzyltin Acetate, a Redetermination
Acta Crystallographica Section C
51(12)
(1995)
2546-2548 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,210 | 8.571 | 0.001 | 8.842 | 0.001 | 16.607 | 0.001 | 90 | null | 90 | null | 90 | null | 1,258.6 | 0.2 | 295 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C9 H18 Cl N O4 - | - C9 H18 Cl N O4 - | - C36 H72 Cl4 N4 O16 - | 4 | 1 | BK1131 | Weber, H. P.; Anderson, R. C.; Shapiro, M.; Villhauer, E. B.; Gullion, T. | Acetyl-<small>L</small>-carnitine Hydrochloride | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2570 | 2572 | 10.1107/S0108270195008420 | 1.54184 | CuKα | null | 0.0543 | null | null | 0.0639 | null | null | null | null | 3.231 | 3.231 | null | null | null | has coordinates | Weber, H. P.; Anderson, R. C.; Shapiro, M.; Villhauer, E. B.; Gullion, T.
Acetyl-<small>L</small>-carnitine Hydrochloride
Acta Crystallographica Section C
51(12)
(1995)
2570-2572 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,211 | 13.934 | 0.002 | 14.316 | 0.002 | 7.101 | 0.002 | 97.86 | 0.01 | 103.79 | 0.02 | 79.6 | 0.01 | 1,346.5 | 0.5 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 7,19,28-trithiatetracyclo[11,11,7,1^3,23^,1^11,15^]tritriaconta- 1,3(32),11,12,14,23- hexaene-4,9,16,22,25,30-hexayne | - C31 H20 Cl2 S3 - | - C30.55 H19.1 Cl1.1 S3 - | - C61.1 H38.2 Cl2.2 S6 - | 2 | 1 | BK1142 | Mague, J. T.; Ensley, H. E.; Mahadevan, S. | A Precursor to Highly Unsaturated Cyclophanes: 7,19,28-Trithiatetracyclo[11.11.7.1^3,23^.1^11,15^]tritriaconta-1,3(32),11(33),12,14,23-hexaene-4,9,16,22,25,30-hexayne | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2595 | 2598 | 10.1107/S0108270195009073 | 0.71073 | MoKα | 0.074 | 0.054 | null | null | 0.085 | null | null | null | null | 3.085 | 3.085 | null | null | null | has coordinates | Mague, J. T.; Ensley, H. E.; Mahadevan, S.
A Precursor to Highly Unsaturated Cyclophanes: 7,19,28-Trithiatetracyclo[11.11.7.1^3,23^.1^11,15^]tritriaconta-1,3(32),11(33),12,14,23-hexaene-4,9,16,22,25,30-hexayne
Acta Crystallographica Section C
51(12)
(1995)
2595-2598 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,004,212 | 12.131 | 0.001 | 6.167 | 0.0005 | 16.507 | 0.002 | 90 | null | 108.69 | 0.01 | 90 | null | 1,169.8 | 0.2 | 296 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 3,3-diphenyl-1-propyn-3-ol | - C15 H12 O - | - C15 H12 O - | - C60 H48 O4 - | 4 | 1 | BK1146 | Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R. | 1,1-Diphenyl-3-propyn-1-ol | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2674 | 2676 | 10.1107/S0108270195008171 | 1.54184 | CuKα | null | 0.045 | null | null | 0.054 | null | null | null | null | 2.566 | 2.566 | null | null | null | has coordinates | Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.
1,1-Diphenyl-3-propyn-1-ol
Acta Crystallographica Section C
51(12)
(1995)
2674-2676 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,213 | 9.511 | 0.001 | 11.716 | 0.001 | 12.138 | 0.002 | 67.68 | 0.02 | 73.19 | 0.02 | 73.45 | 0.02 | 1,174.1 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C23 H33 N7 O4 - | - C23 H33 N7 O4 - | - C46 H66 N14 O8 - | 2 | 1 | BM1000 | Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M. | 8-Benzylamino-7-{2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}theophylline | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2610 | 2612 | 10.1107/S0108270195007207 | 1.54184 | CuKα | null | 0.0552 | null | null | 0.061 | null | null | null | null | 1.98 | 1.98 | null | null | null | has coordinates | Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.
8-Benzylamino-7-{2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}theophylline
Acta Crystallographica Section C
51(12)
(1995)
2610-2612 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,214 | 8.854 | 0.004 | 9.832 | 0.004 | 27.11 | 0.008 | 90 | null | 90 | null | 90 | null | 2,360 | 1.6 | 293 | null | 293 | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | - C15 H14 O - | - C15 H14 O - | - C120 H112 O8 - | 8 | 1 | BM1013 | Judas, N.; Kaitner, B.; Mestrovic, E. | 1,3-Diphenylpropan-1-one | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2656 | 2658 | 10.1107/S0108270195008730 | 0.71073 | MoKα | null | 0.037 | null | null | 0.061 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Judas, N.; Kaitner, B.; Mestrovic, E.
1,3-Diphenylpropan-1-one
Acta Crystallographica Section C
51(12)
(1995)
2656-2658 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,215 | 9.504 | 0.002 | 15.059 | 0.003 | 5.295 | 0.002 | 90 | null | 90 | null | 90 | null | 757.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | 3-methylphthalic anhydride | - C9 H6 O3 - | - C9 H6 O3 - | - C36 H24 O12 - | 4 | 1 | BM1019 | Bocelli, G.; Cantoni, A. | 3-Methylphthalic Anhydride | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2652 | 2654 | 10.1107/S0108270195008869 | 1.54178 | CuKα | 0.085 | 0.0323 | null | 0.0746 | 0.0433 | null | null | null | 0.647 | 0.929 | 0.929 | null | null | null | has coordinates | Bocelli, G.; Cantoni, A.
3-Methylphthalic Anhydride
Acta Crystallographica Section C
51(12)
(1995)
2652-2654 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,216 | 6.688 | 0.001 | 6.688 | 0.001 | 18.479 | 0.007 | 90 | null | 90 | null | 120 | null | 715.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 63/m c m | -P 6c 2 | 193 | Europium(III) Tris-[dicyanoArgentate(I)] | - C12 H12 Ag6 Eu2 N12 O6 - | - C6 H6 Ag3 Eu N6 O3 - | - C12 H12 Ag6 Eu2 N12 O6 - | 2 | 0.083333 | BR1098 | Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.; Patterson, H. H.; Shankle, G. | Europium(III) Tris[dicyanoargentate(I)] Trihydrate, Eu[Ag(CN)~2~]~3~.3H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2527 | 2529 | 10.1107/S0108270195008596 | 0.71073 | MoKα | 0.0373 | 0.0351 | null | 0.0924 | 0.0899 | null | null | null | 1.13 | 1.15 | 1.15 | null | null | null | has coordinates | Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.; Patterson, H. H.; Shankle, G.
Europium(III) Tris[dicyanoargentate(I)] Trihydrate, Eu[Ag(CN)~2~]~3~.3H~2~O
Acta Crystallographica Section C
51(12)
(1995)
2527-2529 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,217 | 14.3 | 0.002 | 6.43 | 0.001 | 8.754 | 0.002 | 90 | null | 98.36 | 0.02 | 90 | null | 796.4 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - Cl O8 Pr3 Si2 - | - Cl0.5 O8 Pr2.5 Si2 - | - Cl2 O32 Pr10 Si8 - | 4 | 0.5 | BR1101 | Guo, G.-C.; Wang, Y.-G.; Zhuang, J.-N.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E. | Tripraseodymium Chloride Bis(orthosilicate), Pr~3~(SiO~4~)~2~Cl | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2471 | 2473 | 10.1107/S0108270195008390 | 0.71069 | MoKα | null | 0.0323 | null | null | 0.04 | null | null | null | null | 1.06 | 1.06 | null | null | null | has coordinates | Guo, G.-C.; Wang, Y.-G.; Zhuang, J.-N.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.
Tripraseodymium Chloride Bis(orthosilicate), Pr~3~(SiO~4~)~2~Cl
Acta Crystallographica Section C
51(12)
(1995)
2471-2473 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,218 | 7.121 | 0.004 | 7.121 | 0.004 | 11.4 | 0.007 | 90 | null | 90 | null | 120 | null | 500.6 | 0.5 | 298 | null | 298 | null | null | null | null | null | 4 | P 63 | P 6c | 173 | Potassium vanadium selenite | Potassium vanadium selenite | - K O12 Se2 V3 - | - K O12 Se2 V3 - | - K2 O24 Se4 V6 - | 2 | 0.333333 | BR1110 | Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J. | Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~ | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2473 | 2476 | 10.1107/S0108270195008407 | 0.71073 | MolybdenumKα | 0.035 | 0.035 | null | 0.027 | 0.027 | null | null | null | 1.07 | 1.07 | 1.07 | null | null | null | has coordinates | Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.
Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~
Acta Crystallographica Section C
51(12)
(1995)
2473-2476 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,219 | 12.523 | 0.003 | 8.583 | 0.002 | 15.93 | 0.003 | 90 | null | 90.52 | 0.03 | 90 | null | 1,712.2 | 0.7 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Diflufenican | Diflufenican,2',4'-difluoro-2-(α,α,α,trifluoro-m-tolyloxy) nicotinanilide. | - C19 H11 F5 N2 O2 - | - C19 H11 F5 N2 O2 - | - C76 H44 F20 N8 O8 - | 4 | 1 | CF1003 | Pèpe, G.; Pfefer, G.; Boistelle, R.; Marchal, P. | Diflufenican, <i>N</i>-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2671 | 2672 | 10.1107/S010827019500789X | 1.5418 | CuKα | 0.057 | 0.057 | null | 0.057 | 0.057 | null | null | null | 0.84 | 0.84 | 0.84 | null | null | null | has coordinates | Pèpe, G.; Pfefer, G.; Boistelle, R.; Marchal, P.
Diflufenican, <i>N</i>-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
Acta Crystallographica Section C
51(12)
(1995)
2671-2672 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,220 | 17.601 | 0.011 | 17.601 | 0.011 | 12.235 | 0.008 | 90 | null | 90 | null | 90 | null | 3,790 | 4 | 288 | null | 288 | null | null | null | null | null | 5 | P 4/n :2 | -P 4a | 85 | tetrakis(N,N'-diphenylbenzamidinato)dicopper(II) dichloromethane solvate | - C78 H64 Cl4 Cu2 N8 - | - C78 H60 Cl4 Cu2 N8 - | - C156 H120 Cl8 Cu4 N16 - | 2 | 0.25 | CF1005 | Halfpenny, J. | Tetrakis(<i>N</i>,<i>N</i>'-diphenylbenzamidinato)dicopper(II) Dichloromethane Solvate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2542 | 2544 | 10.1107/S0108270195008651 | 0.7107 | MoKα | null | 0.056 | null | null | 0.056 | null | null | null | null | 1.427 | 1.427 | null | null | null | has coordinates,has disorder | Halfpenny, J.
Tetrakis(<i>N</i>,<i>N</i>'-diphenylbenzamidinato)dicopper(II) Dichloromethane Solvate
Acta Crystallographica Section C
51(12)
(1995)
2542-2544 | 192,027 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-13 17:46:56 +0200 (Mon, 13 Feb 2017) $
#$Revision: 192027 $
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2,004,221 | 18.479 | 0.004 | 14.511 | 0.005 | 14.389 | 0.004 | 90 | null | 90 | null | 90 | null | 3,858.4 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | Tetracarbonylbis(3-aminopropyl)phenylphosphinemolybdenum(0) | - C16 H21 Mo N2 O4 P - | - C16 H21 Mo N2 O4 P - | - C128 H168 Mo8 N16 O32 P8 - | 8 | 1 | CF1007 | Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A. | [Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2480 | 2482 | 10.1107/S0108270195007426 | 0.71069 | MoKα | 0.0886 | 0.0362 | null | 0.1275 | 0.0858 | null | null | null | 0.653 | 0.617 | 0.617 | null | null | null | has coordinates | Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.
[Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0)
Acta Crystallographica Section C
51(12)
(1995)
2480-2482 | 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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2,004,222 | 12.826 | 0.0005 | 16.9115 | 0.0004 | 9.0052 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,953.29 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | 1,1,3,4-tetramethyl-3-(1-methyl-1H-indole-3-yl)-2,2,3,4-tetrahydro-cyclo- penta[b]indole | - C24 H26 N2 - | - C24 H26 N2 - | - C96 H104 N8 - | 4 | 1 | CF1009 | Schollmeyer, D.; Fischer, G.; Pindur, U. | Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2572 | 2575 | 10.1107/S0108270195007761 | 1.54178 | CuKα | 0.0504 | 0.0494 | null | 0.1383 | 0.1362 | null | null | null | 1.031 | 1.033 | 1.033 | null | null | null | has coordinates | Schollmeyer, D.; Fischer, G.; Pindur, U.
Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>... | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,308 | 22.25 | 0.005 | 11.245 | 0.003 | 19.089 | 0.004 | 90 | null | 96.59 | 0.02 | 90 | null | 4,744.5 | 1.9 | 295 | null | 295 | null | null | null | null | null | chemical synthesis | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C50 H40 As2 Cl4 O4 Re - | - C50 H40 As2 Cl4 O4 Re - | - C200 H160 As8 Cl16 O16 Re4 - | 4 | 1 | Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus | Synthesis, Crystal Structure, and Magnetic Properties of Tetraphenylarsonium Tetrachloro(oxalato)rhenate(IV) and Bis(2,2'-bipyridine)tetrachloro(μ-oxalato)copper(II)rhenium(IV) | Inorganic Chemistry | 1,999 | 38 | 4745 | 4752 | 10.1021/ic990376h | 0.71073 | MoKα | 4.69 | 3.43 | null | 5.33 | 4.89 | null | null | null | null | 1.34 | 1.34 | null | null | null | has coordinates | Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus
Synthesis, Crystal Structure, and Magnetic Properties of Tetraphenylarsonium Tetrachloro(oxalato)rhenate(IV) and Bis(2,2'-bipyridine)tetrachloro(μ-oxalato)copper(II)rhenium(IV)
Inorganic Chemistry
38
... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176467 $
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2,004,223 | 12.34 | 0.001 | 13.766 | 0.002 | 17.1648 | 0.0009 | 90 | null | 92.258 | 0.009 | 90 | null | 2,913.6 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1,1,3-trimethyl-4-benzenesulfonyl-3-(1-benzenesulfonyl-1H-indole-3-yl)- 2,2,3,4-tetrahydro-cyclopenta[b]indole | - C34 H30 N2 O4 S2 - | - C34 H30 N2 O4 S2 - | - C136 H120 N8 O16 S8 - | 4 | 1 | CF1009 | Schollmeyer, D.; Fischer, G.; Pindur, U. | Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2572 | 2575 | 10.1107/S0108270195007761 | 0.71069 | MoKα | 0.129 | 0.0502 | null | 0.1446 | 0.1151 | null | null | null | 1.008 | 1.101 | 1.101 | null | null | null | has coordinates | Schollmeyer, D.; Fischer, G.; Pindur, U.
Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>... | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,224 | 7.774 | 0.016 | 7.973 | 0.012 | 8.053 | 0.017 | 94.28 | 0.15 | 109.45 | 0.19 | 105.67 | 0.13 | 445.7 | 1.7 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C7 H4 N2 O2 S2 - | - C7 H4 N2 O2 S2 - | - C14 H8 N4 O4 S4 - | 2 | 1 | CF1016 | Howie, R. A.; Wardell, J. L. | 2-Nitrobenzenesulfenyl Thiocyanate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2651 | 2652 | 10.1107/S0108270195009474 | 0.71073 | MoKα | null | 0.07 | null | null | 0.071 | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates | Howie, R. A.; Wardell, J. L.
2-Nitrobenzenesulfenyl Thiocyanate
Acta Crystallographica Section C
51(12)
(1995)
2651-2652 | 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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2,004,225 | 14.04 | 0.003 | 5.804 | 0.001 | 17.728 | 0.002 | 90 | null | 90 | null | 90 | null | 1,444.6 | 0.4 | 300 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H14 Cl N O2 - | - C17 H14 Cl N O2 - | - C68 H56 Cl4 N4 O8 - | 4 | 1 | CR1165 | Kokila, M. K.; Jain, A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C. | 4-(4-Chloroanilinomethyl)-6-methylcoumarin | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2585 | 2586 | 10.1107/S0108270195006263 | 0.7093 | MoKα | null | 0.041 | null | null | 0.033 | null | null | null | null | 4.41 | 4.41 | null | null | null | has coordinates | Kokila, M. K.; Jain, A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.
4-(4-Chloroanilinomethyl)-6-methylcoumarin
Acta Crystallographica Section C
51(12)
(1995)
2585-2586 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,226 | 13.5 | 0.02 | 9.24 | 0.02 | 11.74 | 0.02 | 90 | null | 104.4 | 0.2 | 90 | null | 1,418 | 5 | 20 | null | 20 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | hexaammineruthenium(III)tristhiocyanate | - C3 D18 N9 Ru S3 - | - C3 H24 N9 Ru S3 - | - C12 H96 N36 Ru4 S12 - | 4 | 1 | CR1174 | Reynolds, P. A.; Figgis, B. N.; Schultz, A. J. | [Ru(ND~3~)~6~](SCN)~3~ at 20 K by Time-of-Flight Neutron Diffraction | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2517 | 2520 | 10.1107/S0108270195007153 | neutron | null | Pulsed_neutron | 0.133 | 0.133 | null | 0.11 | 0.11 | null | null | null | 0.84 | 0.84 | 0.84 | null | null | null | has coordinates | Reynolds, P. A.; Figgis, B. N.; Schultz, A. J.
[Ru(ND~3~)~6~](SCN)~3~ at 20 K by Time-of-Flight Neutron Diffraction
Acta Crystallographica Section C
51(12)
(1995)
2517-2520 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,004,227 | 11.357 | 0.004 | 11.643 | 0.004 | 17.638 | 0.009 | 98.49 | null | 96.44 | null | 117.36 | 0.01 | 2,005.2 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C38 H50 Mo N4 O5 S2 - | - C38 H50 Mo N4 O5 S2 - | - C76 H100 Mo2 N8 O10 S4 - | 2 | 1 | CR1181 | Li-Kao, J.; González, O.; Mariezcurrena, R.; Baggio, R.; Garland, M. T.; Carrillo, D. | A <i>cis</i>-Oxo[diphenylhydrazido(2–)]molybdenum Complex: (Et~3~NH)~2~[MoO(NNPh~2~)(SC~6~H~4~CO~2~)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2486 | 2489 | 10.1107/S0108270195006007 | 0.71073 | MoKα | 0.0344 | 0.0285 | null | 0.0744 | 0.0702 | null | null | null | 1.054 | 1.065 | 1.065 | null | null | null | has coordinates,has disorder | Li-Kao, J.; González, O.; Mariezcurrena, R.; Baggio, R.; Garland, M. T.; Carrillo, D.
A <i>cis</i>-Oxo[diphenylhydrazido(2–)]molybdenum Complex: (Et~3~NH)~2~[MoO(NNPh~2~)(SC~6~H~4~CO~2~)~2~]
Acta Crystallographica Section C
51(12)
(1995)
2486-2489 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,228 | 18.171 | 0.004 | 7.157 | 0.001 | 26.165 | 0.005 | 90 | null | 90.2 | 0.03 | 90 | null | 3,402.7 | 1.1 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(2-nitrosophenyl)pyridine | - C17 H16 N2 O5 - | - C17 H16 N2 O5 - | - C136 H128 N16 O40 - | 8 | 2 | CR1185 | Rowan, K. R.; Holt, E. M. | 3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2554 | 2559 | 10.1107/S0108270195005828 | 0.71073 | MoKα | 0.2602 | 0.063 | null | 0.158 | 0.1 | null | null | null | 0.694 | 1.136 | 1.136 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)
Acta Crystallographica Section C
51(12)
(1995)
2554-2559 | 198,484 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-05 20:52:43 +0300 (Wed, 05 Jul 2017) $
#$Revision: 198484 $
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4,322,307 | 17.755 | 0.016 | 13.62 | 0.004 | 13.832 | 0.017 | 90 | null | 100.04 | 0.05 | 90 | null | 3,294 | 5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C26 H32 Fe N9 O2 S4 - | - C26 H32 Fe N9 O2 S4 - | - C104 H128 Fe4 N36 O8 S16 - | 4 | 0.5 | Mohammed Fettouhi; Mohammed Morsy; Abdel Waheed; Stéphane Golhen; Lahcène Ouahab; Jean-Pascal Sutter; Olivier Kahn; Nieves Menendez; François Varret | Spin-Crossover in the Complex Bis(cis-1,2-dicyano-1,2-ethylenedithiolato) [2-(p-pyridyl)-4,4,5,5-tetramethylimidazolinium]iron(III) | Inorganic Chemistry | 1,999 | 38 | 4910 | 4912 | 10.1021/ic990299q | 0.71073 | MoKα | 0.1785 | 0.0542 | null | null | 0.103 | 0.1288 | null | null | null | null | null | 0.984 | null | null | has coordinates | Mohammed Fettouhi; Mohammed Morsy; Abdel Waheed; Stéphane Golhen; Lahcène Ouahab; Jean-Pascal Sutter; Olivier Kahn; Nieves Menendez; François Varret
Spin-Crossover in the Complex Bis(cis-1,2-dicyano-1,2-ethylenedithiolato) [2-(p-pyridyl)-4,4,5,5-tetramethylimidazolinium]iron(III)
Inorganic Chemistry
38
(1999)
4910-4912 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,229 | 13.184 | 0.003 | 7.768 | 0.002 | 17.736 | 0.004 | 90 | null | 91.5 | 0.03 | 90 | null | 1,815.8 | 0.7 | 298 | null | 298 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | bis[2,6-dimethyl-3,5-dimethoxycarbonyl-4- (2-nitrophenyl)pyridine]dichlorocopper(II) | - C34 H32 Cl2 Cu N4 O12 - | - C34 H32 Cl2 Cu N4 O12 - | - C68 H64 Cl4 Cu2 N8 O24 - | 2 | 0.5 | CR1185 | Rowan, K. R.; Holt, E. M. | 3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2554 | 2559 | 10.1107/S0108270195005828 | 0.71073 | MoKα | 0.122 | 0.058 | null | 0.1162 | 0.071 | null | null | null | null | 1.7 | 1.7 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)
Acta Crystallographica Section C
51(12)
(1995)
2554-2559 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,230 | 8.884 | 0.003 | 26.179 | 0.002 | 7.286 | 0.002 | 90 | null | 90 | null | 90 | null | 1,694.5 | 0.7 | 295 | null | null | null | null | null | null | null | 3 | P c a 21 | P 2c -2ac | 29 | - C19 H20 O6 - | - C19 H20 O6 - | - C76 H80 O24 - | 4 | 1 | CR1190 | Stomberg, R.; Li, S.; Lundquist, K. | (<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2698 | 2700 | 10.1107/S0108270195009140 | 0.71073 | MoKα | null | 0.034 | null | null | 0.041 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Stomberg, R.; Li, S.; Lundquist, K.
(<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid
Acta Crystallographica Section C
51(12)
(1995)
2698-2700 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,231 | 11.274 | 0.002 | 14.2626 | 0.0009 | 12.375 | 0.001 | 90 | 0.006 | 114.56 | 0.01 | 90 | 0.008 | 1,809.8 | 0.4 | 293 | null | 293 | null | null | null | null | null | 9 | P 1 21/m 1 | -P 2yb | 11 | fac-tricarbonylrheniumbis[μ-methylaminobis(difluorophosphine)]triphenyl phosphineplatinum(Re-Pt) trifluoromethanesulfonate | - C24 H21 F11 N2 O6 P5 Pt Re S - | - C24 H21 F11 N2 O6 P5 Pt Re S - | - C48 H42 F22 N4 O12 P10 Pt2 Re2 S2 - | 2 | 0.5 | CR1192 | Mague, J. T.; Lin, Z. | A Cationic Rhenium‒Platinum Complex: <i>fac</i>-Tricarbonylrhenium-bis[μ-methylaminobis(difluorophosphine)]-triphenylphosphineplatinum Trifluoromethanesulfonate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2508 | 2510 | 10.1107/S0108270195006470 | 0.71073 | Mo-Kα | 0.046 | 0.028 | null | null | 0.039 | null | null | null | null | 1.327 | 1.327 | null | null | null | has coordinates,has Fobs | Mague, J. T.; Lin, Z.
A Cationic Rhenium‒Platinum Complex: <i>fac</i>-Tricarbonylrhenium-bis[μ-methylaminobis(difluorophosphine)]-triphenylphosphineplatinum Trifluoromethanesulfonate
Acta Crystallographica Section C
51(12)
(1995)
2508-2510 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,232 | 9.715 | 0.002 | 5.659 | 0.002 | 22.763 | 0.005 | 90 | null | 100.1 | 0.01 | 90 | null | 1,232.1 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C11 H12 Br N O4 - | - C11 H12 Br N O4 - | - C44 H48 Br4 N4 O16 - | 4 | 1 | CR1193 | Rath, N. P.; Boehlow, T. R.; Spilling, C. D. | Ethyl 3-(3-Bromo-4-hydroxyphenyl)-2(<i>E</i>)-(hydroxyimino)propanoate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2654 | 2656 | 10.1107/S0108270195007335 | 0.71073 | MoKα | 0.1553 | 0.0613 | null | 0.1189 | 0.092 | null | null | null | 0.97 | 1.114 | 1.114 | null | null | null | has coordinates | Rath, N. P.; Boehlow, T. R.; Spilling, C. D.
Ethyl 3-(3-Bromo-4-hydroxyphenyl)-2(<i>E</i>)-(hydroxyimino)propanoate
Acta Crystallographica Section C
51(12)
(1995)
2654-2656 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,233 | 11.914 | 0.002 | 17.96 | 0.002 | 11.997 | 0.002 | 90 | null | 106.67 | 0.01 | 90 | null | 2,459.2 | 0.7 | 294 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C36 H46 Cu6 N12 O2 S6 - | - C36 H42 Cu6 N12 O2 S6 - | - C72 H84 Cu12 N24 O4 S12 - | 2 | 0.5 | DE1000 | Seth, S.; Das, A. K.; Mak, T. C. W. | Distant Copper‒Copper Interactions in a Metal-Organic Compound in the Solid State: Hexakis[(μ~3~-4,6-dimethylpyrimidine-2-thiolato-<i>N</i>:<i>S</i>:<i>S</i>)copper(I)] Dihydrate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2529 | 2532 | 10.1107/S0108270195005737 | 0.71073 | MoKα | null | 0.041 | null | null | 0.037 | null | null | null | null | 1.054 | 1.054 | null | null | null | has coordinates | Seth, S.; Das, A. K.; Mak, T. C. W.
Distant Copper‒Copper Interactions in a Metal-Organic Compound in the Solid State: Hexakis[(μ~3~-4,6-dimethylpyrimidine-2-thiolato-<i>N</i>:<i>S</i>:<i>S</i>)copper(I)] Dihydrate
Acta Crystallographica Section C
51(12)
(1995)
2529-2532 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,234 | 10.613 | 0.003 | 14.271 | 0.002 | 15.172 | 0.003 | 90 | 0.03 | 90 | 0.02 | 90 | 0.03 | 2,297.9 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Anomolin | 8,8-dimethyl-9,10-di(2-methylbut-2-enoyloxy)-9,10-dihydropyrano [2,3-h] -[2H]-[1]-benzopyran-2-one | - C24 H26 O7 - | - C24 H26 O7 - | - C96 H104 O28 - | 4 | 1 | DE1002 | Padha, N.; Goswami, K. N.; Yadava, V. S.; Nethaji, M. | Anomalin. A Dihydropyranocoumarin Derivative from the Plant <i>Lingusticum elatum</i> | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2710 | 2712 | 10.1107/S0108270195008341 | 0.7107 | MoKα | 0.1964 | 0.0659 | null | 0.2862 | 0.1638 | null | null | null | 1.043 | 1.235 | 1.235 | null | null | null | has coordinates | Padha, N.; Goswami, K. N.; Yadava, V. S.; Nethaji, M.
Anomalin. A Dihydropyranocoumarin Derivative from the Plant <i>Lingusticum elatum</i>
Acta Crystallographica Section C
51(12)
(1995)
2710-2712 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,235 | 9.238 | 0.001 | 10.959 | 0.001 | 15.168 | 0.001 | 90 | null | 90.64 | 0.01 | 90 | null | 1,535.5 | 0.2 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C18 H16 O5 - | - C18 H16 O5 - | - C72 H64 O20 - | 4 | 1 | DE1003 | Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Gupta, B. D. | 5-Acetoxy-6-(1,1-dimethyl-2-propenyl)-2<i>H</i>-furo[2,3-<i>h</i>][1]benzopyran-2-one | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2637 | 2639 | 10.1107/S0108270195008353 | 0.71073 | MoKα | null | 0.042 | null | null | 0.11 | null | null | null | null | 0.899 | 0.899 | null | null | null | has coordinates | Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Gupta, B. D.
5-Acetoxy-6-(1,1-dimethyl-2-propenyl)-2<i>H</i>-furo[2,3-<i>h</i>][1]benzopyran-2-one
Acta Crystallographica Section C
51(12)
(1995)
2637-2639 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,236 | 10.8234 | 0.0009 | 10.3459 | 0.0008 | 14.381 | 0.002 | 90 | null | 63.025 | 0.009 | 90 | null | 1,435.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Dimethylammonium Pentachlorobismuthate(III) | - C4 H16 Bi Cl5 N2 - | - C4 H16 Bi Cl5 N2 - | - C16 H64 Bi4 Cl20 N8 - | 4 | 1 | DU1124 | Jarraya, S.; Ben Hassen, R.; Daoud, A.; Jouini, T. | Dimethylammonium Pentachlorobismuthate(III) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2537 | 2538 | 10.1107/S010827019500758X | 0.71069 | MoKα | 0.0594 | 0.0382 | null | 0.0706 | 0.0668 | null | null | null | 1.306 | 1.394 | 1.394 | null | null | null | has coordinates | Jarraya, S.; Ben Hassen, R.; Daoud, A.; Jouini, T.
Dimethylammonium Pentachlorobismuthate(III)
Acta Crystallographica Section C
51(12)
(1995)
2537-2538 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,237 | 4.945 | 0.002 | 4.945 | 0.002 | 36.78 | 0.01 | 90 | 1 | 90 | 1 | 120 | 1.3 | 779 | 10 | 293 | null | null | null | null | null | null | null | 3 | R -3 m :H | -R 3 2" | 166 | - Ce2 Ni5 Zn2 - | - Ce2 Ni5 Zn2 - | - Ce12 Ni30 Zn12 - | 6 | 0.166667 | DU1126 | Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K. | Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2464 | 2466 | 10.1107/S010827019500655X | 0.71073 | MoKα | 0.064 | 0.055 | null | 0.052 | 0.05 | null | null | null | 1.684 | 1.785 | 1.785 | null | null | null | has coordinates | Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.
Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System
Acta Crystallographica Section C
51(12)
(1995)
2464-2466 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,306 | 8.691 | 0.006 | 9.01 | 0.006 | 13.237 | 0.005 | 90 | null | 103.43 | 0.02 | 90 | null | 1,008.2 | 1 | 295 | 2 | 295 | 2 | null | null | null | null | chemical synthesis | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H6 I2 S3 - | - C4 H6 I2 S3 - | - C16 H24 I8 S12 - | 4 | 1 | Francesco Bigoli; Paola Deplano; Andrea Ienco; Carlo Mealli; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Giuseppe Saba; Emanuele F. Trogu | Structure and Bonding of Diiodine Adducts of the Sulfur-Rich Donors 1,3-Dithiacyclohexane-2-thione (ptc) and 4,5-Ethylenedithio-1,3-dithiole-2-thione (ttb) | Inorganic Chemistry | 1,999 | 38 | 4626 | 4636 | 10.1021/ic9901867 | 0.71073 | MoKar | 0.0681 | 0.0305 | null | 0.0661 | 0.0611 | null | null | null | 0.775 | 0.9 | 0.9 | null | null | null | has coordinates | Francesco Bigoli; Paola Deplano; Andrea Ienco; Carlo Mealli; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Giuseppe Saba; Emanuele F. Trogu
Structure and Bonding of Diiodine Adducts of the Sulfur-Rich Donors 1,3-Dithiacyclohexane-2-thione (ptc) and 4,5-Ethylenedithio-1,3-dithiole-2-thione (ttb)
Inorgan... | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,004,238 | 5.045 | 0.003 | 5.045 | 0.003 | 16.434 | 0.007 | 90 | null | 90 | null | 120 | null | 362.2 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | P 63/m m c | -P 6c 2c | 194 | - Ce Ni2 Zn - | - Ce Ni2 Zn - | - Ce6 Ni12 Zn6 - | 6 | 0.25 | DU1126 | Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K. | Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2464 | 2466 | 10.1107/S010827019500655X | 0.71073 | MoKα | 0.085 | 0.066 | null | 0.034 | 0.034 | null | null | null | 2.711 | 2.512 | 2.512 | null | null | null | has coordinates | Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.
Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System
Acta Crystallographica Section C
51(12)
(1995)
2464-2466 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,239 | 7.179 | 0.002 | 8.354 | 0.002 | 14.455 | 0.004 | 90 | null | 93.8 | 0.02 | 90 | null | 865 | 0.4 | 294 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - Al3 Fe2 Si3 - | - Al3 Fe2 Si3 - | - Al24 Fe16 Si24 - | 8 | 2 | DU1127 | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N. | Fe~2~Al~3~Si~3~ | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2461 | 2464 | 10.1107/S0108270195007864 | 0.71073 | MoKα | null | 0.017 | null | null | 0.0218 | null | null | null | null | 0.64 | 0.64 | null | null | null | has coordinates | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.
Fe~2~Al~3~Si~3~
Acta Crystallographica Section C
51(12)
(1995)
2461-2464 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,240 | 9.197 | 0.004 | 3.1228 | 0.0009 | 12.303 | 0.004 | 90 | null | 104.26 | 0.03 | 90 | null | 342.5 | 0.4 | 293 | null | null | null | null | null | null | null | Synthetic | 3 | P 1 21/c 1 | -P 2ybc | 14 | Suanite | - B2 Mg2 O5 - | - B2 Mg2 O5 - | - B8 Mg8 O20 - | 4 | 1 | Guo, Guo-Cong; Cheng, Wen-Dan; Chen, Jiu-Tong; Zhuang, Hong-Hui; Huang, Jin-Shun; Zhang, Qian-Er | Monoclinic Mg~2~B~2~O~5~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 12 | 2469 | 2471 | 10.1107/s0108270195008298 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Guo, Guo-Cong; Cheng, Wen-Dan; Chen, Jiu-Tong; Zhuang, Hong-Hui; Huang, Jin-Shun; Zhang, Qian-Er
Monoclinic Mg~2~B~2~O~5~
Acta Crystallographica, Section C: Crystal Structure Communications
51(12)
(1995)
2469-2471 | 282,068 | 2023-03-26 | 10:12:03 | #------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
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2,004,241 | 7.9572 | 0.0016 | 15.7497 | 0.0012 | 8.505 | 0.0015 | 90 | null | 110.2 | 0.02 | 90 | null | 1,000.3 | 0.3 | 290 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C9 H12 N4 O - | - C9 H12 N4 O - | - C36 H48 N16 O4 - | 4 | 1 | FG1045 | Bullerwell, W. L.; MacGillivray, L. R.; Zaworotko, M. J.; Vaughan, K.; Wilman, D. E. V. | 1-(<i>p</i>-Carbamoylphenyl)-3,3-dimethyltriazene, an Antitumour Agent | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2624 | 2627 | 10.1107/S0108270195008419 | 0.710939 | MoKα | null | 0.061 | null | null | 0.05 | null | null | null | null | 3.43 | 3.43 | null | null | null | has coordinates | Bullerwell, W. L.; MacGillivray, L. R.; Zaworotko, M. J.; Vaughan, K.; Wilman, D. E. V.
1-(<i>p</i>-Carbamoylphenyl)-3,3-dimethyltriazene, an Antitumour Agent
Acta Crystallographica Section C
51(12)
(1995)
2624-2627 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,242 | 6.531 | 0.006 | 11.659 | 0.002 | 32.198 | 0.007 | 90 | null | 90 | null | 90 | null | 2,452 | 2 | 294 | null | 294 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | η-Cyclopentadienyl-oxoperoxo(trimethylsilylmethyl)tungsten | - C9 H16 O3 Si W - | - C9 H16 O3 Si W - | - C72 H128 O24 Si8 W8 - | 8 | 1 | FG1059 | Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C. | (η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2498 | 2501 | 10.1107/S0108270195004951 | 0.7093 | MolybdenumKα~1~ | null | 0.084 | null | null | 0.114 | null | null | null | null | 4.1 | 4.1 | null | null | null | has coordinates | Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.
(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex
Acta Crystallographica Section C
51(1... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,243 | 19.326 | 0.002 | 9.831 | 0.001 | 23.485 | 0.006 | 90 | null | 107.25 | 0.01 | 90 | null | 4,261.3 | 1.3 | 294 | null | 294 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | η-Pentamethylcyclopentadienyl-oxoperoxo- (trimethylsilylmethyl)tungsten - tetracyanoethylene | - C34 H52 N4 O6 Si2 W2 - | - C36 H52 N4 O6 Si2 W2 - | - C144 H208 N16 O24 Si8 W8 - | 4 | 0.5 | FG1059 | Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C. | (η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2498 | 2501 | 10.1107/S0108270195004951 | 0.7093 | MolybdenumKα~1~ | null | 0.04 | null | null | 0.051 | null | null | null | null | 1.65 | 1.65 | null | null | null | has coordinates | Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.
(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex
Acta Crystallographica Section C
51(1... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,244 | 5.415 | 0.002 | 11.618 | 0.005 | 15.558 | 0.009 | 90 | null | 90 | null | 90 | null | 978.8 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | L-Gylcyl-L-Glutamine monohydrate | - C7 H15 N3 O5 - | - C7 H15 N3 O5 - | - C28 H60 N12 O20 - | 4 | 1 | FG1069 | Panneerselvam, K.; Soriano-García, M. | <small>L</small>-Glycyl-<small>L</small>-Glutamine Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2718 | 2720 | 10.1107/S0108270195009218 | 1.54178 | CuKα | 0.0341 | 0.034 | null | 0.09 | 0.0898 | null | null | null | 1.05 | 1.052 | 1.052 | null | null | null | has coordinates | Panneerselvam, K.; Soriano-García, M.
<small>L</small>-Glycyl-<small>L</small>-Glutamine Monohydrate
Acta Crystallographica Section C
51(12)
(1995)
2718-2720 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,245 | 8.106 | 0.001 | 14.788 | 0.001 | 7.866 | 0.001 | 100.93 | 0.01 | 103.28 | 0.01 | 90.86 | 0.01 | 899.35 | 0.18 | 294 | null | 294 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Dimethyl 1,8-dichloro-9,10-dihydro-9,10- ethenoanthracene-11,12-dicarboxylate | - C20 H14 Cl2 O4 - | - C20 H14 Cl2 O4 - | - C40 H28 Cl4 O8 - | 2 | 1 | FG1082 | Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. | Photochemistry of Dimethyl 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2685 | 2687 | 10.1107/S0108270195007943 | 1.54178 | CuKα | null | 0.036 | null | null | 0.052 | null | null | null | null | 3.96 | 3.96 | null | null | null | has coordinates | Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Photochemistry of Dimethyl 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
51(12)
(1995)
2685-2687 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,246 | 9.756 | 0.001 | 10.556 | 0.001 | 8.83 | 0.001 | 107.22 | 0.01 | 105.31 | 0.01 | 95.4 | 0.01 | 822.99 | 0.17 | 294 | null | 294 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Dimethyl 1-chloro-4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8c,8d-dicarboxylate | - C20 H15 Cl O4 - | - C20 H15 Cl O4 - | - C40 H30 Cl2 O8 - | 2 | 1 | FG1085 | Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. | Dimethyl 1-Chloro-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8c,8d-dicarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2690 | 2691 | 10.1107/S0108270195008237 | 1.54178 | CuKα | null | 0.035 | null | null | 0.046 | null | null | null | null | 4.2 | 4.2 | null | null | null | has coordinates | Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Dimethyl 1-Chloro-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8c,8d-dicarboxylate
Acta Crystallographica Section C
51(12)
(1995)
2690-2691 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,305 | 12.09 | 0.006 | 6.433 | 0.005 | 15.731 | 0.006 | 90 | null | 99.3 | 0.02 | 90 | null | 1,207.4 | 1.2 | 295 | 2 | 295 | 2 | null | null | null | null | chemical synthesis | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C5 H4 I2 S5 - | - C5 H4 I2 S5 - | - C20 H16 I8 S20 - | 4 | 1 | Francesco Bigoli; Paola Deplano; Andrea Ienco; Carlo Mealli; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Giuseppe Saba; Emanuele F. Trogu | Structure and Bonding of Diiodine Adducts of the Sulfur-Rich Donors 1,3-Dithiacyclohexane-2-thione (ptc) and 4,5-Ethylenedithio-1,3-dithiole-2-thione (ttb) | Inorganic Chemistry | 1,999 | 38 | 4626 | 4636 | 10.1021/ic9901867 | 0.71073 | MoKa | 0.0784 | 0.0419 | null | 0.1471 | 0.1016 | null | null | null | 1.227 | 1.046 | 1.046 | null | null | null | has coordinates,has disorder | Francesco Bigoli; Paola Deplano; Andrea Ienco; Carlo Mealli; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Giuseppe Saba; Emanuele F. Trogu
Structure and Bonding of Diiodine Adducts of the Sulfur-Rich Donors 1,3-Dithiacyclohexane-2-thione (ptc) and 4,5-Ethylenedithio-1,3-dithiole-2-thione (ttb)
Inorgan... | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
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2,004,247 | 10.718 | 0.001 | 13.05 | 0.001 | 5.5074 | 0.0004 | 90.27 | 0.01 | 104.32 | 0.01 | 109.86 | 0.01 | 698.66 | 0.12 | 294 | null | 294 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5,8,5,8] octacosane OR 5,5-Dimethyl-1,3-dioxacyclohexan-2-spiro-1'-cyclooctadecan- 10'-spiro-2"-5",5"-dimethyl-1",3"-dioxacyclohexane OR Dispiro[5,5-dimethyl-1,3-dioxacyclohexane-2,1'-cyclooctadecan- 10',2"-5",5"-dimethyl-1",3"-dioxacyclohexane] | - C28 H52 O4 - | - C28 H52 O4 - | - C28 H52 O4 - | 1 | 0.5 | FG1091 | Lewis, T. J.; Rettig, S. J.; Scheffer, J. R.; Trotter, J. | 3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5.8.5.8]octacosane | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2688 | 2690 | 10.1107/S0108270195008201 | 1.54178 | CuKα | null | 0.042 | null | null | 0.056 | null | null | null | null | 2.9 | 2.9 | null | null | null | has coordinates | Lewis, T. J.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.
3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5.8.5.8]octacosane
Acta Crystallographica Section C
51(12)
(1995)
2688-2690 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,248 | 9.92 | 0.0007 | 11.2088 | 0.0008 | 11.7547 | 0.0006 | 90 | null | 96.931 | 0.005 | 90 | null | 1,297.47 | 0.15 | 294.2 | null | 294 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione | - C30 H40 O2 - | - C30 H40 O2 - | - C60 H80 O4 - | 2 | 0.5 | FG1093 | Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. | Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2687 | 2688 | 10.1107/S0108270195008663 | 1.54178 | CuKα | 0.0904 | 0.0384 | null | 0.0397 | 0.0366 | null | null | null | null | 2.339 | 2.339 | null | null | null | has coordinates | Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione
Acta Crystallographica Section C
51(12)
(1995)
2687-2688 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,249 | 12.452 | 0.002 | 16.182 | 0.002 | 8.118 | 0.002 | 90 | null | 90.68 | 0.02 | 90 | null | 1,635.6 | 0.5 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thionocarboxylate | - C20 H16 O3 S - | - C20 H16 O3 S - | - C80 H64 O12 S4 - | 4 | 1 | FG1099 | Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J. | Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2691 | 2694 | 10.1107/S0108270195009012 | 0.71069 | MoKα | null | 0.048 | null | null | 0.055 | null | null | null | null | 3 | 3 | null | null | null | has coordinates | Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.
Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate
Acta Crystallographica Section C
51(12)
(1995)
2691-2694 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,250 | 7.911 | 0.001 | 14.457 | 0.001 | 14.813 | 0.001 | 90 | null | 90.9 | 0.01 | 90 | null | 1,693.9 | 0.3 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thiolocarboxylate | - C20 H16 O3 S - | - C20 H16 O3 S - | - C80 H64 O12 S4 - | 4 | 1 | FG1099 | Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J. | Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2691 | 2694 | 10.1107/S0108270195009012 | 1.54178 | CuKα | null | 0.042 | null | null | 0.064 | null | null | null | null | 2.8 | 2.8 | null | null | null | has coordinates | Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.
Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate
Acta Crystallographica Section C
51(12)
(1995)
2691-2694 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,251 | 15.225 | 0.004 | 8.652 | 0.003 | 9.306 | 0.002 | 90 | null | 90 | null | 90 | null | 1,225.8 | 0.6 | 296.2 | null | 296.2 | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | (2,3-benzobicyclo[2.2.1]hepta-2,5-diene)tricarbonylchromium | - C14 H10 Cr O3 - | - C14 H10 Cr O3 - | - C56 H40 Cr4 O12 - | 4 | 1 | FG1100 | Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A. | <i>exo</i>-π-(Benzonorbornadiene)tricarbonylchromium | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2565 | 2567 | 10.1107/S0108270195008432 | 0.7107 | MoKα | 0.0755 | 0.0328 | null | 0.0331 | 0.0287 | null | null | null | null | 1.579 | 1.579 | null | null | null | has coordinates | Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.
<i>exo</i>-π-(Benzonorbornadiene)tricarbonylchromium
Acta Crystallographica Section C
51(12)
(1995)
2565-2567 | 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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2,004,252 | 11.13 | 0.001 | 13.157 | 0.007 | 23.077 | 0.002 | 90 | null | 95.68 | 0.01 | 90 | null | 3,362.7 | 1.8 | 239 | null | null | null | null | null | null | null | 5 | P 1 2/n 1 | -P 2yac | null | - C72 H84 Li2 O9 Sn3 - | - C74 H70 Li2 O7 Sn3 - | - C148 H140 Li4 O14 Sn6 - | 2 | 0.5 | HU1067 | Smith, G. D.; Fanwick, P. E.; Rothwell, I. P. | A Trigonal Prismatic Cluster Compound of Tin and Lithium: Structure of [{Sn(OCMe~2~C~6~H~4~)~2~}~3~Li~2~O].2HOCMe~2~Ph | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2501 | 2503 | 10.1107/S0108270193012302 | 0.71073 | MoKα | null | 0.033 | null | null | 0.042 | null | null | null | null | 1.244 | 1.244 | null | null | null | has coordinates | Smith, G. D.; Fanwick, P. E.; Rothwell, I. P.
A Trigonal Prismatic Cluster Compound of Tin and Lithium: Structure of [{Sn(OCMe~2~C~6~H~4~)~2~}~3~Li~2~O].2HOCMe~2~Ph
Acta Crystallographica Section C
51(12)
(1995)
2501-2503 | 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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4,322,304 | 12.2303 | 0.0008 | 6.764 | 0.0004 | 17.866 | 0.001 | 90.493 | 0.006 | 94.133 | 0.006 | 91.163 | 0.006 | 1,473.76 | 0.15 | 293 | 2 | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - Bi4 P6 Se18 - | - Bi4 P6 Se18 - | - Bi8 P12 Se36 - | 2 | 1 | Jennifer A. Aitken; Shannon Brown; Konstantinos Chondroudis; Stéphane Jobic; Raymond Brec; Mercouri G. Kanatzidis | β-Bi4(P2Se6)3: A New Ternary Selenophosphate Obtained in a P2Se5 Flux | Inorganic Chemistry | 1,999 | 38 | 4795 | 4800 | 10.1021/ic990180h | x-ray | 0.71073 | MoKα | 0.0396 | 0.0396 | null | 0.0427 | 0.0427 | null | null | null | 0.71 | 0.71 | 0.71 | null | null | null | has coordinates,has Fobs | Jennifer A. Aitken; Shannon Brown; Konstantinos Chondroudis; Stéphane Jobic; Raymond Brec; Mercouri G. Kanatzidis
β-Bi4(P2Se6)3: A New Ternary Selenophosphate Obtained in a P2Se5 Flux
Inorganic Chemistry
38
(1999)
4795-4800 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,253 | 6.886 | 0.003 | 7.106 | 0.003 | 10.591 | 0.004 | 75.23 | 0.04 | 84.72 | 0.03 | 69.46 | 0.03 | 469.3 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H7 N O3 - | - C12 H7 N O3 - | - C24 H14 N2 O6 - | 2 | 1 | HU1087 | Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G. | 3-Nitrodibenzofuran and 3-Iododibenzofuran | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2680 | 2683 | 10.1107/S0108270194013338 | 0.71069 | MoKα | null | 0.047 | null | null | 0.056 | null | null | null | null | 1.8 | 1.8 | null | null | null | has coordinates | Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.
3-Nitrodibenzofuran and 3-Iododibenzofuran
Acta Crystallographica Section C
51(12)
(1995)
2680-2683 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,254 | 6.245 | 0.002 | 13.399 | 0.005 | 11.899 | 0.003 | 90 | null | 98.14 | 0.03 | 90 | null | 985.6 | 0.5 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C12 H7 I O - | - C12 H7 I O - | - C48 H28 I4 O4 - | 4 | 1 | HU1087 | Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G. | 3-Nitrodibenzofuran and 3-Iododibenzofuran | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2680 | 2683 | 10.1107/S0108270194013338 | 0.71069 | MoKα | null | 0.03 | null | null | 0.038 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.
3-Nitrodibenzofuran and 3-Iododibenzofuran
Acta Crystallographica Section C
51(12)
(1995)
2680-2683 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,255 | 15.922 | 0.006 | 9.591 | 0.004 | 23.019 | 0.009 | 90 | null | 102.34 | 0.03 | 90 | null | 3,434 | 2 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C33 H46 I O9 P - | - C33 H46 I O9 P - | - C132 H184 I4 O36 P4 - | 4 | 1 | HU1104 | Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B. | Hexyltris(2,4,6-trimethoxyphenyl)phosphonium Iodide | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2683 | 2685 | 10.1107/S0108270194013363 | 0.71069 | MoKα | null | 0.041 | null | null | 0.049 | null | null | null | null | 1.6 | 1.6 | null | null | null | has coordinates | Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.
Hexyltris(2,4,6-trimethoxyphenyl)phosphonium Iodide
Acta Crystallographica Section C
51(12)
(1995)
2683-2685 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,256 | 9.344 | 0.002 | 6.509 | 0.002 | 12.764 | 0.003 | 90 | null | 108.53 | 0.02 | 90 | null | 736.1 | 0.3 | 120 | 2 | 120 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 1,5-Dichlorocyclotetra(azathiene) | - Cl2 N4 S4 - | - Cl2 N4 S4 - | - Cl8 N16 S16 - | 4 | 1 | HU1126 | Žák, Z.; Ružička, A. | Redetermination of 1,5-Dichlorocyclotetra(azathiene) at 120 K | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2478 | 2479 | 10.1107/S010827019500744X | 0.71073 | MoKα | 0.036 | 0.0253 | null | 0.074 | 0.0696 | null | null | null | 1.053 | 1.105 | 1.105 | null | null | null | has coordinates | Žák, Z.; Ružička, A.
Redetermination of 1,5-Dichlorocyclotetra(azathiene) at 120 K
Acta Crystallographica Section C
51(12)
(1995)
2478-2479 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,257 | 7.813 | 0.002 | 12.708 | 0.003 | 9.392 | 0.002 | 90 | null | 101.14 | 0.02 | 90 | null | 914.9 | 0.4 | 24 | null | 24 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H6 N2 O6 - | - C8 H6 N2 O6 - | - C32 H24 N8 O24 - | 4 | 1 | HU1148 | Cristiano, M. L. S.; Johnstone, R. A. W.; Pratt, M. J. | 3-Hydroxy-2,6-dinitroacetophenone: an Unusual Substitution Pattern Resulting from Nitration of 3-Hydroxyacetophenone | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2581 | 2583 | 10.1107/S0108270195007451 | 0.7107 | MoKα | null | 0.0656 | null | null | 0.0766 | null | null | null | null | 2.982 | 2.982 | null | null | null | has coordinates | Cristiano, M. L. S.; Johnstone, R. A. W.; Pratt, M. J.
3-Hydroxy-2,6-dinitroacetophenone: an Unusual Substitution Pattern Resulting from Nitration of 3-Hydroxyacetophenone
Acta Crystallographica Section C
51(12)
(1995)
2581-2583 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,258 | 13.372 | 0.001 | 15.427 | 0.002 | 16.627 | 0.006 | 104.79 | 0.02 | 77.32 | 0.02 | 104.4 | 0.01 | 3,167.3 | 1.3 | 296 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C29 H35 Cu N P S5 - | - C29 H35 Cu N P S5 - | - C116 H140 Cu4 N4 P4 S20 - | 4 | 2 | JZ1010 | Sheng, T.; Li, H.; Huang, Q.; Wu, X. | Tetraethylammonium (2-Thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>^4^,<i>S</i>^5^)triphenylphosphinecopper(I) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2524 | 2526 | 10.1107/S0108270195002885 | 0.71073 | MoKα | null | 0.069 | null | null | 0.089 | null | null | null | null | 1.58 | 1.58 | null | null | null | has coordinates | Sheng, T.; Li, H.; Huang, Q.; Wu, X.
Tetraethylammonium (2-Thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>^4^,<i>S</i>^5^)triphenylphosphinecopper(I)
Acta Crystallographica Section C
51(12)
(1995)
2524-2526 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,004,259 | 9.313 | 0.001 | 19.202 | 0.003 | 22.33 | 0.003 | 90 | null | 90 | null | 90 | null | 3,993.2 | 0.9 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C23 H24 N2 Ni O2 - | - C23 H23 N2 Ni O2 - | - C184 H184 N16 Ni8 O16 - | 8 | 1 | JZ1023 | Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H. | {1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2520 | 2522 | 10.1107/S0108270195007025 | 0.71093 | MoKα | 0.1333 | 0.0377 | null | 0.1202 | 0.0886 | null | null | null | 0.998 | 1.063 | 1.063 | null | null | null | has coordinates | Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H.
{1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)
Acta Crystallographica Section C
51(12)
(1995)
2520-2522 | 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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2,004,260 | 12.658 | 0.001 | 14.186 | 0.002 | 9.527 | 0.001 | 90 | null | 90 | null | 90 | null | 1,710.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 2 | P 2 2ab | 18 | [2(E)-1-amino-3-dimethylamino-3-phenylpropen-1-ylidene]pentacarbonyl | - C16 H14 Cr N2 O5 - | - C16 H14 Cr N2 O5 - | - C64 H56 Cr4 N8 O20 - | 4 | 1 | JZ1049 | Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F. | Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2503 | 2508 | 10.1107/S0108270195006160 | 0.71073 | MoKα | 0.0639 | 0.0405 | null | 0.1055 | 0.092 | null | null | null | 1.033 | 1.044 | 1.044 | null | null | null | has coordinates | Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.
Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes
Acta Crystallographica Section C
51(12)
(1995)
2503-2508 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176759 $
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2,004,261 | 10.834 | 0.002 | 11.745 | 0.002 | 12.222 | 0.002 | 108.09 | 0.02 | 98.22 | 0.02 | 100.11 | 0.02 | 1,422.6 | 0.5 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | [2(E)-3-dibenzylamino-1-ethoxy-6,6-dimethylhept-2-ene-4-in-ylidene] | - C30 H29 Cr N O6 - | - C30 H29 Cr N O6 - | - C60 H58 Cr2 N2 O12 - | 2 | 1 | JZ1049 | Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F. | Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2503 | 2508 | 10.1107/S0108270195006160 | 0.71073 | MoKα | 0.0358 | 0.0319 | null | 0.0853 | 0.0825 | null | null | null | 1.042 | 1.062 | 1.062 | null | null | null | has coordinates | Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.
Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes
Acta Crystallographica Section C
51(12)
(1995)
2503-2508 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,303 | 10.9625 | 0.0016 | 11.203 | 0.003 | 11.299 | 0.004 | 75.23 | 0.03 | 89.12 | 0.02 | 60.419 | 0.017 | 1,156.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C60 H50 Fe N6 - | - C60 H50 Fe N6 - | - C60 H50 Fe N6 - | 1 | 0.5 | Orde Q. Munro; P. Sizwe Madlala; Richard A. F. Warby; Takele B. Seda; Giovanni Hearne | Structural, Conformational, and Spectroscopic Studies of Primary Amine Complexes of Iron(II) Porphyrins | Inorganic Chemistry | 1,999 | 38 | 4724 | 4736 | 10.1021/ic990178q | 0.71069 | MoKα | 0.0405 | 0.0319 | null | null | 0.0806 | 0.089 | null | null | null | null | null | 1.13 | null | null | has coordinates | Orde Q. Munro; P. Sizwe Madlala; Richard A. F. Warby; Takele B. Seda; Giovanni Hearne
Structural, Conformational, and Spectroscopic Studies of Primary Amine Complexes of Iron(II) Porphyrins
Inorganic Chemistry
38
(1999)
4724-4736 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
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2,004,262 | 9.95 | 0.001 | 18.856 | 0.004 | 12.522 | 0.002 | 90 | null | 94.3 | 0.01 | 90 | null | 2,342.7 | 0.7 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (2-oxa-cyclo-pentenylidene)pentacarbonylchromium | - C25 H21 Cr N O6 - | - C25 H21 Cr N O6 - | - C100 H84 Cr4 N4 O24 - | 4 | 1 | JZ1049 | Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F. | Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2503 | 2508 | 10.1107/S0108270195006160 | 0.71073 | MoKα | 0.0705 | 0.0428 | null | 0.1124 | 0.0897 | null | null | null | 1.074 | 1.024 | 1.024 | null | null | null | has coordinates | Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.
Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes
Acta Crystallographica Section C
51(12)
(1995)
2503-2508 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,263 | 10.6502 | 0.0009 | 11.0148 | 0.0004 | 12.0539 | 0.0011 | 97.511 | 0.006 | 112.647 | 0.007 | 102.092 | 0.005 | 1,240.56 | 0.18 | 298 | 2 | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(β-carboxymethylethyl)bis(quinolin-8-olato)tin | - C26 H26 N2 O6 Sn - | - C26 H26 N2 O6 Sn - | - C52 H52 N4 O12 Sn2 - | 2 | 1 | JZ1055 | Ng, S. W.; Kumar Das, V. G. | Bis(2-methoxycarbonylethyl)bis(quinolin-8-olato-<i>N</i>,<i>O</i>)tin | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2492 | 2494 | 10.1107/S0108270195007347 | 0.71073 | MoKα | 0.04 | 0.031 | null | 0.0784 | 0.074 | null | null | null | 1.068 | 1.089 | 1.089 | null | null | null | has coordinates | Ng, S. W.; Kumar Das, V. G.
Bis(2-methoxycarbonylethyl)bis(quinolin-8-olato-<i>N</i>,<i>O</i>)tin
Acta Crystallographica Section C
51(12)
(1995)
2492-2494 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,264 | 13.2 | 0.003 | 15.0884 | 0.0013 | 16.57 | 0.005 | 90 | null | 105.869 | 0.01 | 90 | null | 3,174.4 | 1.2 | 298 | 2 | 298 | null | null | null | null | null | 6 | C 1 c 1 | C -2yc | 9 | bromotriphenyltin.triphenylphosphine oxide | - C36 H30 Br O P Sn - | - C36 H30 Br O P Sn - | - C144 H120 Br4 O4 P4 Sn4 - | 4 | 1 | JZ1056 | Ng, S. W. | Bromotriphenyltin‒Triphenylphosphine Oxide (1/1) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2563 | 2565 | 10.1107/S0108270195007359 | 0.71073 | MoKα | 0.0607 | 0.044 | null | 0.1139 | 0.1034 | null | null | null | 1.055 | 1.06 | 1.06 | null | null | null | has coordinates | Ng, S. W.
Bromotriphenyltin‒Triphenylphosphine Oxide (1/1)
Acta Crystallographica Section C
51(12)
(1995)
2563-2565 | 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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2,004,265 | 17.194 | 0.008 | 12.293 | 0.004 | 18.938 | 0.009 | 90 | null | 138.54 | 0.03 | 90 | null | 2,650 | 3 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H16 Cl2 F6 N4 O6 Pd2 - | - C20 H16 Cl2 F6 N4 O6 Pd2 - | - C80 H64 Cl8 F24 N16 O24 Pd8 - | 4 | 1 | JZ1060 | Mossi, W.; Klaus, A. J.; Rys, P.; Currao, A.; Nesper, R. | Bis(μ-trifluoroacetato-<i>O</i>,<i>O</i>')bis{[3-chloro-6-methyl-2-(<i>N</i>-methyl-<i>N</i>-nitrosoamino)phenyl-<i>C</i>,<i>N</i>^N=O^]palladium(II)} | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2549 | 2551 | 10.1107/S0108270195008559 | 0.71073 | MoKα | 0.1099 | 0.0593 | null | 0.1541 | 0.1191 | null | null | null | 1.129 | 1.129 | 1.129 | null | null | null | has coordinates | Mossi, W.; Klaus, A. J.; Rys, P.; Currao, A.; Nesper, R.
Bis(μ-trifluoroacetato-<i>O</i>,<i>O</i>')bis{[3-chloro-6-methyl-2-(<i>N</i>-methyl-<i>N</i>-nitrosoamino)phenyl-<i>C</i>,<i>N</i>^N=O^]palladium(II)}
Acta Crystallographica Section C
51(12)
(1995)
2549-2551 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,266 | 14.615 | 0.003 | 14.625 | 0.003 | 10.33 | 0.002 | 90 | null | 107.67 | 0.02 | 90 | null | 2,103.8 | 0.8 | 112 | 2 | 112 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | The Muscarinic Antagonist, 8,8-Dimethyl-3',3'-Diphenyl-spiro[8- azoniabicyclo[3.2.1]octane-3,2'-[1,3]-dioxolane]-4'-one iodide (BVT44Me). | - C23 H26 I N O3 - | - C23 H26 I N O3 - | - C92 H104 I4 N4 O12 - | 4 | 1 | JZ1064 | Frydenvang, K.; Castiglione, M. | Muscarinic Antagonist: 8,8-Dimethyl-3',3'-diphenylspiro(8-azoniabicyclo[3.2.1]octane-3,2'-1',3'-dioxolane)-4'-one Iodide | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2644 | 2647 | 10.1107/S0108270195008973 | 1.5418 | CuKα | 0.0369 | 0.0322 | null | 0.0849 | 0.0811 | null | null | null | 1.057 | 1.067 | 1.067 | null | null | null | has coordinates,has Fobs | Frydenvang, K.; Castiglione, M.
Muscarinic Antagonist: 8,8-Dimethyl-3',3'-diphenylspiro(8-azoniabicyclo[3.2.1]octane-3,2'-1',3'-dioxolane)-4'-one Iodide
Acta Crystallographica Section C
51(12)
(1995)
2644-2647 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,267 | 6.477 | 0.001 | 8.386 | 0.002 | 9.448 | 0.001 | 82.09 | 0.02 | 69.62 | 0.02 | 82.36 | 0.02 | 474.48 | 0.16 | 128 | 5 | 128 | 5 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Pentacarbonyl(difluoromethyl isocyanide)chromium | - C7 H Cr F2 N O5 - | - C7 H Cr F2 N O5 - | - C14 H2 Cr2 F4 N2 O10 - | 2 | 1 | KA1080 | Lentz, D.; Preugschat, D. | Pentacarbonyl(difluoromethyl isocyanide)chromium at 128 K | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2482 | 2484 | 10.1107/S0108270195006536 | 0.71069 | MoKα | 0.036 | 0.0334 | null | 0.106 | 0.0971 | null | null | null | 1.091 | 1.104 | 1.104 | null | null | null | has coordinates | Lentz, D.; Preugschat, D.
Pentacarbonyl(difluoromethyl isocyanide)chromium at 128 K
Acta Crystallographica Section C
51(12)
(1995)
2482-2484 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,268 | 12.017 | 0.001 | 12.017 | 0.001 | 32.942 | 0.002 | 90 | null | 90 | null | 120 | null | 4,119.8 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 61 | P 61 | 169 | - C24 H40 Co N5 O4 - | - C24 H40 Co N5 O4 - | - C144 H240 Co6 N30 O24 - | 6 | 1 | KA1115 | Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H. | The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2522 | 2524 | 10.1107/S0108270195007189 | 0.71069 | MoKα | 0.0674 | 0.0471 | null | 0.1665 | 0.1283 | null | null | null | 1.093 | 0.941 | 0.941 | null | null | null | has coordinates | Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H.
The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State
Acta Crystallographica Section C
51(12)
(1995)
2522-2524 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,269 | 10.64 | 0.003 | 10.618 | 0.004 | 5.976 | 0.002 | 90 | null | 102.86 | 0.02 | 90 | null | 658.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | cis-1,5-diamino-2,4,6,8-tetraazabicyclo[3.3.0]octan3,7-dione | - C4 H8 N6 O2 - | - C4 H8 N6 O2 - | - C16 H32 N24 O8 - | 4 | 1 | KA1136 | Modric, N.; Poje, M.; Vickovic, I. | <i>cis</i>-1,5-Diamino-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2594 | 2595 | 10.1107/S0108270195008122 | 1.54178 | CuKα | 0.042 | 0.042 | null | 0.1207 | 0.1207 | null | null | null | 1.289 | 1.291 | 1.291 | null | null | null | has coordinates | Modric, N.; Poje, M.; Vickovic, I.
<i>cis</i>-1,5-Diamino-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione
Acta Crystallographica Section C
51(12)
(1995)
2594-2595 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,270 | 9.305 | 0.003 | 25.934 | 0.004 | 9.937 | 0.001 | 90 | null | 99.02 | 0.01 | 90 | null | 2,368.3 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | N-methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide | - C31 H23 N O2 - | - C31 H23 N O2 - | - C124 H92 N4 O8 - | 4 | 1 | KA1138 | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. | <i>N</i>-Methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2722 | 2723 | 10.1107/S0108270195009292 | 0.7107 | MoKα | 0.089 | 0.059 | null | 0.1784 | 0.1562 | null | null | null | 0.985 | 1.058 | 1.058 | null | null | null | has coordinates | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.
<i>N</i>-Methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide
Acta Crystallographica Section C
51(12)
(1995)
2722-2723 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,302 | 11.742 | 0.005 | 12.348 | 0.006 | 17.404 | 0.004 | 97.69 | 0.03 | 101.97 | 0.03 | 112.16 | 0.04 | 2,222.7 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C58 H46 Fe N6 - | - C58 H46 Fe N6 - | - C116 H92 Fe2 N12 - | 2 | 1 | Orde Q. Munro; P. Sizwe Madlala; Richard A. F. Warby; Takele B. Seda; Giovanni Hearne | Structural, Conformational, and Spectroscopic Studies of Primary Amine Complexes of Iron(II) Porphyrins | Inorganic Chemistry | 1,999 | 38 | 4724 | 4736 | 10.1021/ic990178q | 0.71069 | MoKα | 0.071 | 0.0436 | null | null | 0.1004 | 0.1226 | null | null | null | null | null | 1.078 | null | null | has coordinates | Orde Q. Munro; P. Sizwe Madlala; Richard A. F. Warby; Takele B. Seda; Giovanni Hearne
Structural, Conformational, and Spectroscopic Studies of Primary Amine Complexes of Iron(II) Porphyrins
Inorganic Chemistry
38
(1999)
4724-4736 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
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2,004,271 | 8.83 | 0.001 | 11.658 | 0.002 | 11.492 | 0.002 | 90 | null | 104.25 | 0.01 | 90 | null | 1,146.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | xanthyletin | 8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one | - C14 H12 O3 - | - C14 H12 O3 - | - C56 H48 O12 - | 4 | 1 | KA1139 | Rudiño-Piñera, E.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.; Anaya, A. L.; García-Santana, C.; Mata, R.; Sánchez, P. | Xanthyletin | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2720 | 2722 | 10.1107/S0108270195009309 | 1.54178 | CuKα | 0.0501 | 0.044 | null | 0.1259 | 0.1199 | null | null | null | 1.129 | 1.172 | 1.172 | null | null | null | has coordinates | Rudiño-Piñera, E.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.; Anaya, A. L.; García-Santana, C.; Mata, R.; Sánchez, P.
Xanthyletin
Acta Crystallographica Section C
51(12)
(1995)
2720-2722 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,272 | 8.863 | 0.001 | 13.429 | 0.001 | 15.791 | 0.001 | 90 | null | 90 | null | 90 | null | 1,879.5 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C19 H25 N O4 - | - C19 H25 N O4 - | - C76 H100 N4 O16 - | 4 | 1 | KA1140 | Bolte, M. | Structural Investigation of Dihydrooxazinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2587 | 2593 | 10.1107/S0108270195008961 | 0.71069 | MoKα | null | 0.041 | null | null | 0.045 | null | null | null | null | 1.42 | 1.42 | null | null | null | has coordinates | Bolte, M.
Structural Investigation of Dihydrooxazinones
Acta Crystallographica Section C
51(12)
(1995)
2587-2593 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,273 | 8.363 | 0.001 | 10.453 | 0.001 | 12.27 | 0.001 | 90 | null | 94.91 | 0.01 | 90 | null | 1,068.69 | 0.19 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C24 H27 N O4 - | - C24 H27 N O4 - | - C48 H54 N2 O8 - | 2 | 1 | KA1140 | Bolte, M. | Structural Investigation of Dihydrooxazinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2587 | 2593 | 10.1107/S0108270195008961 | 0.71069 | MoKα | null | 0.034 | null | null | 0.037 | null | null | null | null | 1.42 | 1.42 | null | null | null | has coordinates | Bolte, M.
Structural Investigation of Dihydrooxazinones
Acta Crystallographica Section C
51(12)
(1995)
2587-2593 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,274 | 8.712 | 0.001 | 12.848 | 0.002 | 17.971 | 0.002 | 90 | null | 90.39 | 0.01 | 90 | null | 2,011.5 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C19 H31 N O4 - | - C19 H31 N O4 - | - C76 H124 N4 O16 - | 4 | 2 | KA1140 | Bolte, M. | Structural Investigation of Dihydrooxazinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2587 | 2593 | 10.1107/S0108270195008961 | 0.71069 | MoKα | null | 0.051 | null | null | 0.053 | null | null | null | null | 1.402 | 1.402 | null | null | null | has coordinates | Bolte, M.
Structural Investigation of Dihydrooxazinones
Acta Crystallographica Section C
51(12)
(1995)
2587-2593 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,275 | 8.228 | 0.001 | 15.31 | 0.002 | 17.027 | 0.001 | 90 | null | 90 | null | 90 | null | 2,144.9 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C20 H31 Cl N2 O3 - | - C19 H31 Cl N2 O4 - | - C76 H124 Cl4 N8 O16 - | 4 | 1 | KA1140 | Bolte, M. | Structural Investigation of Dihydrooxazinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2587 | 2593 | 10.1107/S0108270195008961 | 0.71069 | MoKα | null | 0.055 | null | null | 0.053 | null | null | null | null | 1.361 | 1.361 | null | null | null | has coordinates | Bolte, M.
Structural Investigation of Dihydrooxazinones
Acta Crystallographica Section C
51(12)
(1995)
2587-2593 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,276 | 8.039 | 0.001 | 11.097 | 0.001 | 8.498 | 0.001 | 90 | null | 98.92 | 0.01 | 90 | null | 748.93 | 0.15 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C16 H21 N O4 - | - C16 H21 N O4 - | - C32 H42 N2 O8 - | 2 | 1 | KA1140 | Bolte, M. | Structural Investigation of Dihydrooxazinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2587 | 2593 | 10.1107/S0108270195008961 | 0.71069 | MoKα | null | 0.027 | null | null | 0.033 | null | null | null | null | 1.37 | 1.37 | null | null | null | has coordinates | Bolte, M.
Structural Investigation of Dihydrooxazinones
Acta Crystallographica Section C
51(12)
(1995)
2587-2593 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,277 | 8.512 | 0.001 | 9.375 | 0.001 | 10.607 | 0.001 | 90 | null | 105.49 | 0.01 | 90 | null | 815.69 | 0.16 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C16 H21 N O4 - | - C16 H21 N O4 - | - C32 H42 N2 O8 - | 2 | 1 | KA1140 | Bolte, M. | Structural Investigation of Dihydrooxazinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2587 | 2593 | 10.1107/S0108270195008961 | 0.71069 | MoKα | null | 0.046 | null | null | 0.042 | null | null | null | null | 1.37 | 1.37 | null | null | null | has coordinates | Bolte, M.
Structural Investigation of Dihydrooxazinones
Acta Crystallographica Section C
51(12)
(1995)
2587-2593 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,278 | 16.578 | 0.003 | 10.193 | 0.008 | 31.574 | 0.004 | 90 | null | 100.92 | 0.01 | 90 | null | 5,239 | 4 | 296 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C36 H66 Cr O6 P3 S6 - | - C36 H66 Cr O6 P3 S6 - | - C144 H264 Cr4 O24 P12 S24 - | 4 | 1 | KH1031 | Xiong, R.-G.; You, X.-Z.; Huang, X.-Y. | Tris(<i>O</i>,<i>O</i>'-dicyclohexyl dithiophosphato-<i>S</i>,<i>S</i>')chromium(III) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2484 | 2486 | 10.1107/S0108270195007323 | 0.71069 | MoKα | null | 0.061 | null | null | 0.072 | null | null | null | null | 1.49 | 1.49 | null | null | null | has coordinates | Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.
Tris(<i>O</i>,<i>O</i>'-dicyclohexyl dithiophosphato-<i>S</i>,<i>S</i>')chromium(III)
Acta Crystallographica Section C
51(12)
(1995)
2484-2486 | 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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2,004,279 | 20.934 | 0.004 | 7.636 | 0.0004 | 12.966 | 0.002 | 90 | null | 100.25 | 0.008 | 90 | null | 2,039.6 | 0.5 | 293 | 2 | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C20 H18 N4 O8 - | - C20 H18 N4 O8 - | - C80 H72 N16 O32 - | 4 | 0.5 | KH1032 | Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L. | Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2629 | 2633 | 10.1107/S0108270195008092 | 0.71073 | MoKα | null | 0.033 | null | null | 0.097 | null | null | null | null | 0.62 | 0.62 | null | null | null | has coordinates | Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.
Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)
Acta Crystallographica Section C
51(12)
(1995)
2629-2633 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,280 | 7.892 | 0.001 | 9.49 | 0.002 | 10.115 | 0.002 | 91.83 | 0.001 | 91.46 | 0.001 | 100.35 | 0.002 | 744.5 | 0.2 | 298 | 2 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C13 H15 N3 O8 - | - C13 H15 N3 O8 - | - C26 H30 N6 O16 - | 2 | 1 | KH1032 | Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L. | Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2629 | 2633 | 10.1107/S0108270195008092 | 0.71073 | MoKα | null | 0.046 | null | null | 0.119 | null | null | null | null | 1 | 1 | null | null | null | has coordinates | Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.
Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)
Acta Crystallographica Section C
51(12)
(1995)
2629-2633 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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4,322,301 | 10.118 | 0.01 | 11.086 | 0.014 | 11.205 | 0.003 | 94.15 | 0.04 | 105.62 | 0.05 | 113.88 | 0.06 | 1,083.1 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C52 H50 Fe N6 - | - C52 H50 Fe N6 - | - C52 H50 Fe N6 - | 1 | 0.5 | Orde Q. Munro; P. Sizwe Madlala; Richard A. F. Warby; Takele B. Seda; Giovanni Hearne | Structural, Conformational, and Spectroscopic Studies of Primary Amine Complexes of Iron(II) Porphyrins | Inorganic Chemistry | 1,999 | 38 | 4724 | 4736 | 10.1021/ic990178q | 0.71069 | MoKα | 0.0541 | 0.0401 | null | null | 0.0985 | 0.1108 | null | null | null | null | null | 1.094 | null | null | has coordinates | Orde Q. Munro; P. Sizwe Madlala; Richard A. F. Warby; Takele B. Seda; Giovanni Hearne
Structural, Conformational, and Spectroscopic Studies of Primary Amine Complexes of Iron(II) Porphyrins
Inorganic Chemistry
38
(1999)
4724-4736 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,281 | 5.558 | 0.001 | 5.7557 | 0.0008 | 15.656 | 0.002 | 90 | null | 92.61 | 0.01 | 90 | null | 500.32 | 0.13 | 295 | null | 295 | null | null | null | null | null | 4 | P 1 c 1 | P -2yc | 7 | (E)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one | - C9 H12 N2 O3 - | - C9 H12 N2 O3 - | - C18 H24 N4 O6 - | 2 | 1 | KH1034 | Kakuda, H.; Takahashi, Y.; Hirokami, S.-i. | (<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2647 | 2650 | 10.1107/S0108270195005841 | 0.7107 | MoKα | null | 0.035 | null | null | 0.049 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.
(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones
Acta Crystallographica Section C
51(12)
(1995)
2647-2650 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,282 | 9.076 | 0.004 | 9.925 | 0.003 | 11.833 | 0.003 | 90 | null | 109.61 | 0.02 | 90 | null | 1,004.1 | 0.6 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | (Z)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one | - C9 H12 N2 O3 - | - C9 H12 N2 O3 - | - C36 H48 N8 O12 - | 4 | 1 | KH1034 | Kakuda, H.; Takahashi, Y.; Hirokami, S.-i. | (<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2647 | 2650 | 10.1107/S0108270195005841 | 0.7107 | MoKα | null | 0.037 | null | null | 0.057 | null | null | null | null | 1.39 | 1.39 | null | null | null | has coordinates | Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.
(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones
Acta Crystallographica Section C
51(12)
(1995)
2647-2650 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,283 | 12.16 | 0.005 | 12.482 | 0.005 | 14.755 | 0.005 | 68.172 | 0.005 | 80.307 | 0.005 | 61.792 | 0.005 | 1,832 | 1.2 | 100 | null | 100 | null | null | null | null | null | 4 | P 1 | P 1 | 1 | 1,1,4,4-Tetraphenyl-1,3-butadiene-lithium-tris(dimethoxyethane) | - C40 H52 Li O6 - | - C40 H52 Li O6 - | - C80 H104 Li2 O12 - | 2 | 2 | KH1040 | Näther, C.; Bock, H.; Bolte, M. | Tris(1,2-dimethoxyethane)lithium 1,1,4,4-Tetraphenyl-1,3-butadiene Radical Anion | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2510 | 2514 | 10.1107/S0108270195007396 | 0.7106 | MoKα | 0.0623 | 0.0433 | null | 0.1289 | 0.1198 | null | null | null | 1.043 | 1.088 | 1.088 | null | null | null | has coordinates | Näther, C.; Bock, H.; Bolte, M.
Tris(1,2-dimethoxyethane)lithium 1,1,4,4-Tetraphenyl-1,3-butadiene Radical Anion
Acta Crystallographica Section C
51(12)
(1995)
2510-2514 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,284 | 33.131 | 0.003 | 7.792 | 0.001 | 7.256 | 0.001 | 90 | null | 90 | null | 90 | null | 1,873.2 | 0.4 | 293 | null | 293 | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | bis(4-nitroanilinium)tetrachlorocadmate | - C12 H14 Cd Cl4 N4 O4 - | - C12 H14 Cd Cl4 N4 O4 - | - C48 H56 Cd4 Cl16 N16 O16 - | 4 | 0.5 | KH1041 | Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Nakamura, T.; Tanaka, M.; Matsumoto, M. | Bis(4-nitroanilinium) Tetrachlorocadmate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2534 | 2537 | 10.1107/S0108270195007384 | 0.7107 | MoKα | null | 0.028 | null | null | 0.034 | null | null | null | null | 2.17 | 2.17 | null | null | null | has coordinates | Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Nakamura, T.; Tanaka, M.; Matsumoto, M.
Bis(4-nitroanilinium) Tetrachlorocadmate
Acta Crystallographica Section C
51(12)
(1995)
2534-2537 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,285 | 14.002 | 0.003 | 9.0989 | 0.0006 | 15.413 | 0.004 | 90 | null | 114.24 | 0.01 | 90 | null | 1,790.5 | 0.6 | 298 | 2 | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C14 H23 N2 O P S3 - | - C14 H23 N2 O P S3 - | - C56 H92 N8 O4 P4 S12 - | 4 | 1 | KH1044 | Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L. | Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2633 | 2637 | 10.1107/S0108270195009188 | 0.71073 | MoKα | null | 0.0367 | null | 0.1133 | null | null | null | null | 0.959 | null | null | null | null | null | has coordinates | Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.
Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine
Acta Crystallographica Section C
51(12)
(1995)
2633-2637 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,286 | 9.836 | 0.009 | 14.01 | 0.01 | 15.733 | 0.008 | 96.89 | 0.05 | 91.95 | 0.05 | 107.7 | 0.04 | 2,045 | 3 | 298 | 2 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H23 N2 O P S5 - | - C14.5 H23 N2 O P S5 - | - C58 H92 N8 O4 P4 S20 - | 4 | 2 | KH1044 | Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L. | Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2633 | 2637 | 10.1107/S0108270195009188 | 0.71073 | MoKα | null | 0.0475 | null | 0.1306 | null | null | null | null | 1.045 | null | null | null | null | null | has coordinates | Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.
Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine
Acta Crystallographica Section C
51(12)
(1995)
2633-2637 | 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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2,004,287 | 19.34 | 0.04 | 19.34 | 0.04 | 25.688 | 0.016 | 90 | null | 90 | null | 120 | null | 8,321 | 2 | 120 | 1 | 120 | 1 | null | null | null | null | 5 | P 63/m | -P 6c | 176 | Terbium(III)cerium(IV)hydrogen sulphate hydrate | - Ce6 H153.66 O180.45 S27 Tb7 - | - Ce6 O181.72 S27 Tb7 - | - Ce12 O363.44 S54 Tb14 - | 2 | 0.166667 | LI1136 | Barnes, J. C. | An Acid Terbium(III) Cerium(IV) Sulfate Hydrate, H~9~Tb~7~Ce~6~(SO~4~)~27~.72.2H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2466 | 2469 | 10.1107/S0108270195009267 | 0.71069 | MoKα | 0.0953 | 0.0692 | null | 0.1874 | 0.1631 | null | null | null | 1.02 | 1.101 | 1.101 | null | null | null | has coordinates | Barnes, J. C.
An Acid Terbium(III) Cerium(IV) Sulfate Hydrate, H~9~Tb~7~Ce~6~(SO~4~)~27~.72.2H~2~O
Acta Crystallographica Section C
51(12)
(1995)
2466-2469 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,288 | 23.382 | 0.006 | 10.16 | 0.003 | 11.265 | 0.005 | 90 | null | 92.78 | 0.03 | 90 | null | 2,673 | 1.6 | 296 | null | 296 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | [4-chloro-3-(2-nitrophenylthio)butyl]triphenylstannane | - C28 H26 Cl N O2 S Sn - | - C28 H26 Cl N O2 S Sn - | - C112 H104 Cl4 N4 O8 S4 Sn4 - | 4 | 1 | MU1188 | Aupers, J. H.; Wardell, J. L. | [4-Chloro-3-(2-nitrophenylthio)butyl]triphenylstannane | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2559 | 2561 | 10.1107/S0108270195008110 | 0.71073 | MoKα | null | 0.035 | null | null | 0.042 | null | null | null | null | 0.934 | 0.934 | null | null | null | has coordinates | Aupers, J. H.; Wardell, J. L.
[4-Chloro-3-(2-nitrophenylthio)butyl]triphenylstannane
Acta Crystallographica Section C
51(12)
(1995)
2559-2561 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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4,322,300 | 10.821 | 0.005 | 21.559 | 0.008 | 21.273 | 0.007 | 90 | null | 94.23 | 0.03 | 90 | null | 4,949 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C54 H45 Nb P2 S6 - | - C54 H45 Nb P2 S6 - | - C216 H180 Nb4 P8 S24 - | 4 | 1 | Jung Woo Park; Sang Man Koo | Monomeric Niobium Persulfide Complexes: The Synthesis and Structural Characterization of Pentagonal-Pyramidal [Ph4P]2[Nb(E)(S2)2(SPh)] (E = O, S) Complexes | Inorganic Chemistry | 1,999 | 38 | 4898 | 4900 | 10.1021/ic981328k | 0.71073 | MoKα | 0.1384 | 0.0646 | null | 0.176 | 0.135 | null | null | null | 1.06 | 1.156 | 1.156 | null | null | null | has coordinates | Jung Woo Park; Sang Man Koo
Monomeric Niobium Persulfide Complexes: The Synthesis and Structural Characterization of Pentagonal-Pyramidal [Ph4P]2[Nb(E)(S2)2(SPh)] (E = O, S) Complexes
Inorganic Chemistry
38
(1999)
4898-4900 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,289 | 15.401 | 0.007 | 18.228 | 0.011 | 5.857 | 0.003 | 90 | null | 90 | null | 90 | null | 1,644.2 | 1.5 | 193 | 2 | 193 | 2 | null | null | null | null | 6 | P n a 21 | P 2c -2n | 33 | (Theophyllinato-N^7^)(dimethylphenylphosphine)gold(I) | (3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dionato-N^7^)- (dimethylphenylphosphine)gold(I) | - C15 H18 Au N4 O2 P - | - C15 H18 Au N4 O2 P - | - C60 H72 Au4 N16 O8 P4 - | 4 | 1 | MU1194 | Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R. | (1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I) | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2551 | 2554 | 10.1107/S0108270195008109 | 0.71073 | MoKα | 0.0375 | 0.0351 | null | 0.0849 | 0.0833 | null | null | null | 1.12 | 1.131 | 1.131 | null | null | null | has coordinates | Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R.
(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I)
Acta Crystallographica Section C
51(12)
(1995)
2551-2554 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,290 | 9.561 | 0.002 | 16.723 | 0.004 | 10.536 | 0.003 | 90 | null | 115.87 | 0.02 | 90 | null | 1,515.8 | 0.7 | 178 | 2 | 178 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C30 H44 Mo2 N2 O4 - | - C30 H44 Mo2 N2 O4 - | - C60 H88 Mo4 N4 O8 - | 2 | 0.5 | NA1159 | Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O. | Non-Coordination of the Dimethylamino Group in a Dinuclear Molybdenum Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2496 | 2498 | 10.1107/S0108270195006822 | 0.71073 | MoKα | 0.1282 | 0.0628 | null | 0.222 | 0.1482 | null | null | null | 1.009 | 1.028 | 1.028 | null | null | null | has coordinates | Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.
Non-Coordination of the Dimethylamino Group in a Dinuclear Molybdenum Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand
Acta Crystallographica Section C
51(12)
(1995)
2496-2498 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,291 | 9.184 | 0.002 | 14.793 | 0.001 | 10.495 | 0.002 | 90 | null | 97.22 | 0.01 | 90 | null | 1,414.5 | 0.4 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C18 H26 Cl4 N10 O4 Sn - | - C18 H26 Cl4 N10 O4 Sn - | - C36 H52 Cl8 N20 O8 Sn2 - | 2 | 0.5 | NA1160 | Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.; Couce, M. D. | Bis(1,1'-dimethyl-5-nitro-2,2'-biimidazol-3'-ium) <i>trans</i>-Tetrachlorodimethylstannate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2561 | 2563 | 10.1107/S0108270195005051 | 0.71073 | MoKα | null | 0.038 | null | null | 0.042 | null | null | null | null | 1.506 | 1.506 | null | null | null | has coordinates | Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.; Couce, M. D.
Bis(1,1'-dimethyl-5-nitro-2,2'-biimidazol-3'-ium) <i>trans</i>-Tetrachlorodimethylstannate
Acta Crystallographica Section C
51(12)
(1995)
2561-2563 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,292 | 12.785 | 0.005 | 9.265 | 0.004 | 12.881 | 0.004 | 90 | null | 97.39 | 0.03 | 90 | null | 1,513.1 | 1 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C15 H22 N O4 Rh - | - C15 H22 N O4 Rh - | - C60 H88 N4 O16 Rh4 - | 4 | 1 | NA1162 | Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.; Hölscher, H. | Intramolecular Coordination of the Dimethylamino Group in a Rhodium‒Oxalate Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2494 | 2496 | 10.1107/S0108270195006871 | 0.71073 | MoKα | 0.1236 | 0.0605 | null | 0.1694 | 0.1147 | null | null | null | 1.126 | 1.181 | 1.181 | null | null | null | has coordinates | Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.; Hölscher, H.
Intramolecular Coordination of the Dimethylamino Group in a Rhodium‒Oxalate Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand
Acta Crystallographica Section C
51(12)
(1995)
2494-2496 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,293 | 11.772 | 0.005 | 9.346 | 0.003 | 17.186 | 0.008 | 90 | 0.03 | 91.7 | 0.04 | 90 | 0.03 | 1,890 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | N-(2-hydroxyethyl)N-dihydroxyethylammonium 2-(2,6-dichlorophenylamino)phenylacetate | - C18 H22 Cl2 N2 O4 - | - C18 H22 Cl2 N2 O4 - | - C72 H88 Cl8 N8 O16 - | 4 | 1 | NA1170 | Castellari, C.; Ottani, S. | Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2612 | 2615 | 10.1107/S010827019500730X | 0.71069 | MoKα | 0.1163 | 0.0344 | null | 0.0998 | 0.0773 | null | null | null | 1.006 | 1.125 | 1.125 | null | null | null | has coordinates | Castellari, C.; Ottani, S.
Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine
Acta Crystallographica Section C
51(12)
(1995)
2612-2615 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,294 | 44.117 | 0.009 | 10.65 | 0.002 | 18.898 | 0.004 | 90 | null | 92.16 | 0.03 | 90 | null | 8,873 | 3 | 293 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C49.5 H51 Cl3 N P3 Ru - | - C49 H50 Cl3.5 Cs N P3 Ru - | - C392 H400 Cl28 Cs8 N8 P24 Ru8 - | 8 | 1 | NA1178 | Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F. | <i>mer</i>,<i>trans</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>']dichloro(triphenylphosphine)ruthenium(II) 0.5-Dichloromethane Solvate | Acta Crystallographica Section C | 1,995 | 51 | 12 | 2514 | 2517 | 10.1107/S0108270195007591 | 1.54184 | CuKα | null | 0.0339 | null | null | 0.0999 | null | null | null | null | 1.202 | 1.202 | null | null | null | has coordinates | Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.
<i>mer</i>,<i>trans</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>']dichloro(triphenylphosphine)ruthenium(II) 0.5-Dichloromethane Solvate
Acta Crystallographica Section C
51(12)
(1995)
2514-2517 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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