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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,000,173 | 12.125 | 0.003 | 12.379 | 0.003 | 20.438 | 0.005 | 90 | null | 92.07 | 0.02 | 90 | null | 3,065.6 | 1.3 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C21 H28 F12 N2 Ni O7 - | - C21 F17 N2 Ni O7 - | - C84 F68 N8 Ni4 O28 - | 4 | 1 | ST0479 | Cervantes-Lee, F.; Porter, L. C. | Structure of (4-amino-2,2,6,6-tetramethylpiperidinyl-1-oxy)bis(hexafluoroacetylacetonato)(methanol)nickel(II) methanol solvate | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2312 | 2315 | 10.1107/S0108270191002834 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Cervantes-Lee, F.; Porter, L. C.
Structure of (4-amino-2,2,6,6-tetramethylpiperidinyl-1-oxy)bis(hexafluoroacetylacetonato)(methanol)nickel(II) methanol solvate
Acta Crystallographica Section C
47(11)
(1991)
2312-2315 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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7,015,067 | 14.4448 | 0.0006 | 21.0505 | 0.0009 | 26.0985 | 0.0009 | 90 | null | 99.057 | 0.002 | 90 | null | 7,836.8 | 0.5 | 243 | 2 | 243 | 2 | null | null | null | null | 10 | P 1 21/c 1 | -P 2ybc | 14 | [Ru(bpy)(CH3CN)2(dppcb)PdCl2](SbF6)2 | - C66 H58 Cl2 F12 N4 O2 P4 Pd Ru Sb2 - | - C66 H58 Cl2 F12 N4 O2 P4 Pd Ru Sb2 - | - C264 H232 Cl8 F48 N16 O8 P16 Pd4 Ru4 Sb8 - | 4 | 1 | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter | Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 15 | 3815 | 3829 | 10.1039/c0dt00253d | 0.71073 | MoKα | 0.1114 | 0.0625 | null | null | 0.1632 | 0.2479 | null | null | null | null | null | 1.037 | null | null | has coordinates | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter
Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.
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2,000,174 | 6.142 | 0.001 | 8.144 | 0.003 | 20.527 | 0.004 | 90 | null | 93.97 | 0.01 | 90 | null | 1,024.3 | 0.5 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H20 Na4 O16 - | - C14 H20 Na4 O16 - | - C28 H40 Na8 O32 - | 2 | 0.5 | ST0515 | Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E. | Structure of tetrasodium 1,4,5,8-naphthalenetetracarboxylate octahydrate | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2315 | 2319 | 10.1107/S0108270191006066 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.
Structure of tetrasodium 1,4,5,8-naphthalenetetracarboxylate octahydrate
Acta Crystallographica Section C
47(11)
(1991)
2315-2319 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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2,000,175 | 10.158 | 0.001 | 10.663 | 0.001 | 12.766 | 0.002 | 100.93 | 0.01 | 109.55 | 0.01 | 99.1 | 0.01 | 1,242.2 | 0.3 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C27 H32 Li O7 P - | - C27 H32 Li O7 P - | - C54 H64 Li2 O14 P2 - | 2 | 1 | CR0313 | Burns, J. H.; Sachleben, R. A. | Complexes of lithium and sodium with <i>sym</i>-(dibenzo-14-crown-4)methylphenyl phosphinic acid | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2339 | 2343 | 10.1107/S0108270191005802 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Burns, J. H.; Sachleben, R. A.
Complexes of lithium and sodium with <i>sym</i>-(dibenzo-14-crown-4)methylphenyl phosphinic acid
Acta Crystallographica Section C
47(11)
(1991)
2339-2343 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,176 | 10.493 | 0.006 | 11.77 | 0.005 | 13.162 | 0.005 | 98.16 | 0.03 | 108.73 | 0.04 | 108.81 | 0.04 | 1,401.5 | 1.3 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C25 H36 Na O11 P - | - C25 H36 Na O11 P - | - C50 H72 Na2 O22 P2 - | 2 | 1 | CR0313 | Burns, J. H.; Sachleben, R. A. | Complexes of lithium and sodium with <i>sym</i>-(dibenzo-14-crown-4)methylphenyl phosphinic acid | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2339 | 2343 | 10.1107/S0108270191005802 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Burns, J. H.; Sachleben, R. A.
Complexes of lithium and sodium with <i>sym</i>-(dibenzo-14-crown-4)methylphenyl phosphinic acid
Acta Crystallographica Section C
47(11)
(1991)
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2,000,177 | 8.586 | 0.002 | 10.508 | 0.002 | 10.676 | 0.002 | 90 | null | 95.64 | 0.02 | 90 | null | 958.5 | 0.3 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C5 H8 N4 O3 S2 - | - C5 H8 N4 O3 S2 - | - C20 H32 N16 O12 S8 - | 4 | 1 | AB0197 | Alzuet, G.; Ferrer, S.; Borrás, J.; Solans, X. | Structure of methazolamide: an inhibitor of carbonic anhydrase | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2377 | 2379 | 10.1107/S0108270191005462 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Alzuet, G.; Ferrer, S.; Borrás, J.; Solans, X.
Structure of methazolamide: an inhibitor of carbonic anhydrase
Acta Crystallographica Section C
47(11)
(1991)
2377-2379 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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2,000,178 | 10.186 | 0.001 | 11.494 | 0.001 | 8.535 | 0.001 | 90 | null | 99.71 | 0.008 | 90 | null | 984.94 | 0.17 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H11 N O3 - | - C10 H11 N O3 - | - C40 H44 N4 O12 - | 4 | 1 | LI0071 | De, A.; Kitagawa, Y. | Structure of 3,3-dimethoxyindolin-2-one | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2384 | 2386 | 10.1107/S0108270191005814 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | De, A.; Kitagawa, Y.
Structure of 3,3-dimethoxyindolin-2-one
Acta Crystallographica Section C
47(11)
(1991)
2384-2386 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,179 | 24.595 | 0.004 | 24.595 | 0.004 | 6.398 | 0.002 | 90 | null | 90 | null | 90 | null | 3,870.2 | 1.5 | null | null | null | null | null | null | null | null | 6 | P 42/n | -P 4bc | null | - C17.5 H19 Cl F6 N2 O1.5 - | - C17 H17 Cl F6 N2 O - | - C136 H136 Cl8 F48 N16 O8 - | 8 | null | CR0310 | Karle, J. M.; Karle, I. L. | Structure of the antimalarial (±)-mefloquine hydrochloride | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2391 | 2395 | 10.1107/S0108270191005796 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Karle, J. M.; Karle, I. L.
Structure of the antimalarial (±)-mefloquine hydrochloride
Acta Crystallographica Section C
47(11)
(1991)
2391-2395 | 189,068 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,180 | 13.289 | 0.003 | 13.289 | 0.003 | 13.289 | 0.003 | 90 | null | 90 | null | 90 | null | 2,346.8 | 0.9 | null | null | null | null | null | null | null | null | 5 | P 21 3 | P 2ac 2ab 3 | null | - C18 H21 Cl3 N4 O12 - | - C18 H21 Cl3 N4 O12 - | - C72 H84 Cl12 N16 O48 - | 4 | 0.333333 | CR0325 | Britton, D.; Norman, R. E.; Que, Jnr, L. | Tris[(2-pyridinium)methyl]amine perchlorate | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2415 | 2417 | 10.1107/S0108270191006194 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Britton, D.; Norman, R. E.; Que, Jnr, L.
Tris[(2-pyridinium)methyl]amine perchlorate
Acta Crystallographica Section C
47(11)
(1991)
2415-2417 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,181 | 16.157 | 0.002 | 9.189 | 0.003 | 9.996 | 0.003 | 90 | null | 95.8 | 0.02 | 90 | null | 1,476.5 | 0.7 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | 4-(4-bromophenyl)-4-phenylcyclohex-2-en-1-one | - C18 H15 Br O - | - C18 H15 Br O - | - C72 H60 Br4 O4 - | 4 | 1 | CR0329 | Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J. | Structure and photochemistry of a cyclohexenone and its solid-state photoproduct | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2417 | 2419 | 10.1107/S0108270191006212 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J.
Structure and photochemistry of a cyclohexenone and its solid-state photoproduct
Acta Crystallographica Section C
47(11)
(1991)
2417-2419 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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7,015,066 | 14.1694 | 0.0003 | 21.0307 | 0.0004 | 25.9245 | 0.0003 | 90 | null | 98.406 | 0.001 | 90 | null | 7,642.3 | 0.2 | 243 | 2 | 243 | 2 | null | null | null | null | 9 | P 1 21/c 1 | -P 2ybc | 14 | [Ru(bpy)(CH3CN)2(dppcb)PtCl2](SbF6)2 | - C66 H58 Cl2 F12 N4 P4 Pt Ru Sb2 - | - C66 H58 Cl2 F12 N4 P4 Pt Ru Sb2 - | - C264 H232 Cl8 F48 N16 P16 Pt4 Ru4 Sb8 - | 4 | 1 | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter | Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 15 | 3815 | 3829 | 10.1039/c0dt00253d | 0.71073 | MoKα | 0.0751 | 0.0493 | null | null | 0.1278 | 0.1686 | null | null | null | null | null | 1.064 | null | null | has coordinates | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter
Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.
Dalton t... | 179,854 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $
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2,000,182 | 17.607 | 0.004 | 8.213 | 0.002 | 19.976 | 0.005 | 90 | null | 93.09 | 0.03 | 90 | null | 2,884.5 | 1.2 | null | null | null | null | null | null | null | null | 4 | I 1 2/a 1 | -I 2ya | null | - C18 H15 Br O - | - C18 H15 Br O - | - C144 H120 Br8 O8 - | 8 | 1 | CR0329 | Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J. | Structure and photochemistry of a cyclohexenone and its solid-state photoproduct | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2417 | 2419 | 10.1107/S0108270191006212 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J.
Structure and photochemistry of a cyclohexenone and its solid-state photoproduct
Acta Crystallographica Section C
47(11)
(1991)
2417-2419 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,183 | 10.251 | 0.001 | 8.37 | 0.001 | 12.548 | 0.001 | 90 | null | 95.98 | 0.05 | 90 | null | 1,070.8 | 0.2 | null | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C18 H26 O12 - | - C18 H26 O12 - | - C36 H52 O24 - | 2 | 1 | AB0200 | Kopf, J.; Topf, C.; Morf, M.; Zimmer, B.; Köll, P. | Structure of 1,2,3,4,5,6-hexa-<i>O</i>-acetyl-<small>D</small>-glucitol (sorbitol hexaacetate) | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2425 | 2428 | 10.1107/S0108270191004924 | 0.70926 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kopf, J.; Topf, C.; Morf, M.; Zimmer, B.; Köll, P.
Structure of 1,2,3,4,5,6-hexa-<i>O</i>-acetyl-<small>D</small>-glucitol (sorbitol hexaacetate)
Acta Crystallographica Section C
47(11)
(1991)
2425-2428 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,184 | 7.3964 | 0.0003 | 12.8372 | 0.0005 | 13.6726 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,298.2 | 0.08 | null | null | null | null | null | null | null | null | 6 | C m c m | -C 2c 2 | null | - C6 H8 Fe Gd N6 O4 - | - C6 Fe Gd N6 O4 - | - C24 Fe4 Gd4 N24 O16 - | 4 | 0.25 | ST0519 | Mullica, D. F.; Sappenfield, E. L. | Structure of gadolinium hexacyanoferrate(III) tetrahydrate | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2433 | 2435 | 10.1107/S0108270191006364 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mullica, D. F.; Sappenfield, E. L.
Structure of gadolinium hexacyanoferrate(III) tetrahydrate
Acta Crystallographica Section C
47(11)
(1991)
2433-2435 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,185 | 8.8723 | 0.0012 | 5.4921 | 0.0004 | 4.8495 | 0.0006 | 90 | null | 90 | null | 90 | null | 236.3 | 0.05 | null | null | null | null | null | null | null | null | 3 | C m c 21 | C 2c -2 | null | - N2 O Si2 - | - N2 O Si2 - | - N8 O4 Si8 - | 4 | 0.5 | AB0210 | Sjöberg, J.; Helgesson, G.; Idrestedt, I. | Refinement of the structure of Si~2~N~2~O | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2438 | 2441 | 10.1107/S0108270191006236 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sjöberg, J.; Helgesson, G.; Idrestedt, I.
Refinement of the structure of Si~2~N~2~O
Acta Crystallographica Section C
47(11)
(1991)
2438-2441 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,186 | 9.182 | 0.003 | 9.64 | 0.002 | 10.384 | 0.002 | 107.56 | 0.02 | 89.7 | 0.02 | 110.48 | 0.02 | 815.7 | 0.4 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C37 H30 Cl O P2 Rh - | - C37 H30 Cl O P2 Rh - | - C37 H30 Cl O P2 Rh - | 1 | 0.5 | CR0301 | Chen, Y.-J.; Wang, J.-C.; Wang, Yu | Structure of <i>trans</i>-[Rh(CO)Cl{P(C~6~H~5~)~3~}~2~]: a centrosymmetric triclinic phase | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2441 | 2442 | 10.1107/S0108270191005589 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Chen, Y.-J.; Wang, J.-C.; Wang, Yu
Structure of <i>trans</i>-[Rh(CO)Cl{P(C~6~H~5~)~3~}~2~]: a centrosymmetric triclinic phase
Acta Crystallographica Section C
47(11)
(1991)
2441-2442 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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2,000,187 | 15.328 | 0.002 | 13.994 | 0.002 | 18.26 | 0.002 | 90 | null | 114 | 0.01 | 90 | null | 3,578.1 | 0.8 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H10 N6 O4 W - | - C16 H10 N6 O4 W - | - C128 H80 N48 O32 W8 - | 8 | 2 | AB0179 | Hage, R.; de Graaff, R. A. G.; Haasnoot, J. G.; Russell, G.; Long, C.; Vos, J. G. | Structure of tetracarbonyl[3,6-bis(pyridin-2-yl)-2,5-dihydro-1,2,4,5-tetrazine]tungsten(0) | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2448 | 2451 | 10.1107/S0108270191004729 | 0.71073 | mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Hage, R.; de Graaff, R. A. G.; Haasnoot, J. G.; Russell, G.; Long, C.; Vos, J. G.
Structure of tetracarbonyl[3,6-bis(pyridin-2-yl)-2,5-dihydro-1,2,4,5-tetrazine]tungsten(0)
Acta Crystallographica Section C
47(11)
(1991)
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2,000,188 | 61.35 | 0.004 | 10.437 | 0.0004 | 17.7387 | 0.0014 | 90 | null | 99.742 | 0.006 | 90 | null | 11,194.5 | 1.2 | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | null | - C26 H34 Mo N2 O12 - | - C26 Mo N2 O12 - | - C416 Mo16 N32 O192 - | 16 | 2 | CR0302 | Wang, J.-C.; Sun, C.-H.; Chow, T. J.; Liu, L.-K. | Structure of dicarbonylbis(η^2^-dimethyl 7-acetyl-7-azabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate-κ<i>N</i>)molybdenum(0) | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2459 | 2461 | 10.1107/S0108270191007217 | 1.54056 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Wang, J.-C.; Sun, C.-H.; Chow, T. J.; Liu, L.-K.
Structure of dicarbonylbis(η^2^-dimethyl 7-acetyl-7-azabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate-κ<i>N</i>)molybdenum(0)
Acta Crystallographica Section C
47(11)
(1991)
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7,015,065 | 21.7459 | 0.0004 | 15.6939 | 0.0003 | 24.8759 | 0.0003 | 90 | null | 91.379 | 0.001 | 90 | null | 8,487.1 | 0.2 | 223 | 2 | 223 | 2 | null | null | null | null | 9 | C 1 c 1 | C -2yc | 9 | [Ru(bpy)2(dppcb)NiCl2](PF6)2 | - C75.7 H65.4 Cl7.4 F12 N4 Ni O2 P6 Ru - | - C75.7 H65.4 Cl7.4 F12 N4 Ni O2 P6 Ru - | - C302.8 H261.6 Cl29.6 F48 N16 Ni4 O8 P24 Ru4 - | 4 | 1 | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter | Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 15 | 3815 | 3829 | 10.1039/c0dt00253d | 0.71073 | MoKα | 0.0483 | 0.04 | null | null | 0.1145 | 0.1379 | null | null | null | null | null | 1.037 | null | null | has coordinates | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter
Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.
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2,000,189 | 9.967 | 0.003 | 10.912 | 0.003 | 12.258 | 0.003 | 71.07 | 0.02 | 67.26 | 0.02 | 75.61 | 0.02 | 1,151.4 | 0.6 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C29 H24 N2 O2 S - | - C29 H24 N2 O2 S - | - C58 H48 N4 O4 S2 - | 2 | 1 | ST0511 | Zhang, H.; Self, J.; Khanapure, S. P.; Biehl, E. | Structure of 10-benzyl-2-[(3,4-dimethoxyphenyl)methyl]phenothiazine-1-carbonitrile | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2465 | 2466 | 10.1107/S0108270191005346 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Zhang, H.; Self, J.; Khanapure, S. P.; Biehl, E.
Structure of 10-benzyl-2-[(3,4-dimethoxyphenyl)methyl]phenothiazine-1-carbonitrile
Acta Crystallographica Section C
47(11)
(1991)
2465-2466 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,190 | 8.436 | 0.002 | 16.739 | 0.006 | 11.698 | 0.003 | 90 | null | 97.69 | 0.02 | 90 | null | 1,637 | 0.8 | null | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C40 H44 O4 - | - C40 H44 O4 - | - C80 H88 O8 - | 2 | 1 | AB0208 | van Eijck, B. P. | Structure of (<i>Z</i>)-1,2-dimesitylvinylene bis(mesitylenecarboxylate) | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2470 | 2472 | 10.1107/S0108270191005334 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | van Eijck, B. P.
Structure of (<i>Z</i>)-1,2-dimesitylvinylene bis(mesitylenecarboxylate)
Acta Crystallographica Section C
47(11)
(1991)
2470-2472 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,191 | 10.266 | 0.003 | 14.848 | 0.006 | 11.537 | 0.003 | 90 | null | 108.83 | 0.03 | 90 | null | 1,664.5 | 1 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C8 Cl F3 N2 - | - C8 Cl F3 N2 - | - C64 Cl8 F24 N16 - | 8 | 2 | CR0343 | Britton, D. | Structure of 5-chloro-2,4,6-trifluoroisophthalonitrile | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2472 | 2474 | 10.1107/S0108270191005747 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Britton, D.
Structure of 5-chloro-2,4,6-trifluoroisophthalonitrile
Acta Crystallographica Section C
47(11)
(1991)
2472-2474 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,192 | 4.479 | 0.001 | 9.955 | 0.001 | 19.304 | 0.002 | 90 | null | 107.9 | 0.01 | 90 | null | 819.1 | 0.2 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C5 H8 Cl N5 O2 - | - C5 H8 Cl N5 O2 - | - C20 H32 Cl4 N20 O8 - | 4 | 1 | AB0161 | Maixner, J.; Zachová, J. | Redetermination of the structure of guanine hydrochloride monohydrate | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2474 | 2476 | 10.1107/S0108270191005322 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Maixner, J.; Zachová, J.
Redetermination of the structure of guanine hydrochloride monohydrate
Acta Crystallographica Section C
47(11)
(1991)
2474-2476 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,193 | 22.46 | 0.009 | 17.52 | 0.008 | 9.04 | 0.01 | 90 | null | 90 | null | 90 | null | 3,557 | 4 | null | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C36 H56 N4 O6 - | - C36 H56 N4 O6 - | - C144 H224 N16 O24 - | 4 | 0.5 | LI0069 | Cheetham, G. M. T.; Harding, M. M. | <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Bis(<i>m</i>-xylyl)bis(4,13-diaza-1,7,10-trioxacyclopentadecane): a multidentate macrocyclic complexing agent containing two 15-crown-5 rings | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2478 | 2479 | 10.1107/S010827019100598X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Cheetham, G. M. T.; Harding, M. M.
<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Bis(<i>m</i>-xylyl)bis(4,13-diaza-1,7,10-trioxacyclopentadecane): a multidentate macrocyclic complexing agent containing two 15-crown-5 rings
Acta Crystallographica Section C
47(11)
(1991)
2478-2479 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,194 | 11.194 | 0.004 | 10.944 | 0.003 | 14.815 | 0.005 | 90 | null | 95.01 | 0.03 | 90 | null | 1,808 | 1 | null | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C15 H28 O4 Si - | - C15 H28 O4 Si - | - C60 H112 O16 Si4 - | 4 | 1 | CR0344 | Ammon, H. L.; DeShong, P.; Simpson, D. | Structure of a lactone, (3α,4α,6α)-4-(<i>tert</i>-butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2<i>H</i>-pyran-2-one | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2482 | 2484 | 10.1107/S0108270191006030 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ammon, H. L.; DeShong, P.; Simpson, D.
Structure of a lactone, (3α,4α,6α)-4-(<i>tert</i>-butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2<i>H</i>-pyran-2-one
Acta Crystallographica Section C
47(11)
(1991)
2482-2484 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,195 | 9.665 | 0.002 | 7.981 | 0.001 | 19.071 | 0.002 | 90 | null | 90 | null | 90 | null | 1,471.1 | 0.4 | null | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C8 H9 N O - | - C8 H9 N O - | - C64 H72 N8 O8 - | 8 | 1 | AL0471 | Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B. | Structure of <i>N</i>-methyl benzaldehyde nitrone | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2484 | 2485 | 10.1107/S0108270191007199 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.
Structure of <i>N</i>-methyl benzaldehyde nitrone
Acta Crystallographica Section C
47(11)
(1991)
2484-2485 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,196 | 5.5385 | 0.0006 | 8.543 | 0.001 | 10.373 | 0.001 | 113.329 | 0.009 | 100.78 | 0.01 | 99.82 | 0.01 | 426.13 | 0.09 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C9 H12 O3 - | - C9 H12 O3 - | - C18 H24 O6 - | 2 | 1 | CR0339 | Ammon, H. L.; DeShong, P.; Lessen, T. A. | Structure of (2'<i>R</i>*,5<i>S</i>*)-(±)-5-(tetrahydro-2'<i>H</i>-pyran-2'-yl)-2(5<i>H</i>)-furanone | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2488 | 2489 | 10.1107/S0108270191006248 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ammon, H. L.; DeShong, P.; Lessen, T. A.
Structure of (2'<i>R</i>*,5<i>S</i>*)-(±)-5-(tetrahydro-2'<i>H</i>-pyran-2'-yl)-2(5<i>H</i>)-furanone
Acta Crystallographica Section C
47(11)
(1991)
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7,015,064 | 25.2396 | 0.0005 | 13.4989 | 0.0003 | 25.5113 | 0.0006 | 90 | null | 118.25 | 0.001 | 90 | null | 7,656.6 | 0.3 | 243 | 2 | 243 | 2 | null | null | null | null | 9 | P 1 2/c 1 | -P 2yc | 13 | [Ru(bpy)2(dppcb)PdCl2](PF6)2 | - C73.3 H64 Cl4.6 F12 N4 O P6 Pd Ru - | - C73.3 H64 Cl4.6 F12 N4 O P6 Pd Ru - | - C293.2 H256 Cl18.4 F48 N16 O4 P24 Pd4 Ru4 - | 4 | 1 | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter | Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 15 | 3815 | 3829 | 10.1039/c0dt00253d | 0.71073 | MoKα | 0.0713 | 0.0486 | null | null | 0.1317 | 0.1789 | null | null | null | null | null | 1.026 | null | null | has coordinates | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter
Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.
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2,000,197 | 11.6 | 0.01 | 20.44 | 0.02 | 7.657 | 0.006 | 91.19 | 0.08 | 95.53 | 0.08 | 89.55 | 0.07 | 1,807 | 3 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C22 H20 O5 - | - C22 H20 O5 - | - C88 H80 O20 - | 4 | 2 | CR0333 | Robinson, P. D.; Hua, D. H.; Roche, D.; Saha, S. | Structure of 8-ethyl-4,10,12-trimethoxy-6<i>H</i>-benzo[<i>d</i>]naphtho[1,2-<i>b</i>]pyran-6-one | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2490 | 2492 | 10.1107/S0108270191005863 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Robinson, P. D.; Hua, D. H.; Roche, D.; Saha, S.
Structure of 8-ethyl-4,10,12-trimethoxy-6<i>H</i>-benzo[<i>d</i>]naphtho[1,2-<i>b</i>]pyran-6-one
Acta Crystallographica Section C
47(11)
(1991)
2490-2492 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,198 | 10.8 | 0.01 | 6 | 0.01 | 5.41 | 0.005 | 113.16 | 0.06 | 77.21 | 0.05 | 92.84 | 0.07 | 314 | 0.7 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C12 H22 N4 - | - C12 H22 N4 - | - C12 H22 N4 - | 1 | 0.5 | LI0084 | Small, R. W. H. | Structure of 2-azacycloheptanone azine | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2505 | 2506 | 10.1107/S0108270191007047 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Small, R. W. H.
Structure of 2-azacycloheptanone azine
Acta Crystallographica Section C
47(11)
(1991)
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2,000,199 | 7.389 | 0.001 | 13.255 | 0.001 | 14.448 | 0.002 | 88.6 | 0.01 | 78.58 | 0.01 | 81.48 | 0.01 | 1,371.7 | 0.3 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C26 H39 N O11 - | - C26 H39 N O11 - | - C52 H78 N2 O22 - | 2 | 1 | HA0066 | Vichet, A.; Galy, J. P.; Baldy, A.; Barbe, J.; Feneau-Dupont, J.; Declercq, J.-P. | Structures of two crown-ether derivatives of 9-acridone | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2508 | 2510 | 10.1107/S0108270191007151 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vichet, A.; Galy, J. P.; Baldy, A.; Barbe, J.; Feneau-Dupont, J.; Declercq, J.-P.
Structures of two crown-ether derivatives of 9-acridone
Acta Crystallographica Section C
47(11)
(1991)
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2,000,200 | 8.426 | 0.002 | 11.42 | 0.002 | 11.739 | 0.004 | 87.2 | 0.03 | 79.33 | 0.03 | 77.88 | 0.02 | 1,085.3 | 0.5 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C24 H29 N O7 - | - C24 H29 N O7 - | - C48 H58 N2 O14 - | 2 | 1 | HA0066 | Vichet, A.; Galy, J. P.; Baldy, A.; Barbe, J.; Feneau-Dupont, J.; Declercq, J.-P. | Structures of two crown-ether derivatives of 9-acridone | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2508 | 2510 | 10.1107/S0108270191007151 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vichet, A.; Galy, J. P.; Baldy, A.; Barbe, J.; Feneau-Dupont, J.; Declercq, J.-P.
Structures of two crown-ether derivatives of 9-acridone
Acta Crystallographica Section C
47(11)
(1991)
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2,000,201 | 11.503 | 0.003 | 15.932 | 0.002 | 9.133 | 0.002 | 90 | null | 102.17 | 0.02 | 90 | null | 1,636.2 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C18 H19 N O2 S - | - C18 H19 N O2 S - | - C72 H76 N4 O8 S4 - | 4 | 1 | LI0075 | McKenna, R.; Neidle, S.; Wilson, W. D. | Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2511 | 2513 | 10.1107/S0108270191005991 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | McKenna, R.; Neidle, S.; Wilson, W. D.
Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA
Acta Crystallographica Section C
47(11)
(1991)
2511-2513 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,202 | 9.873 | 0.002 | 13.163 | 0.003 | 14.065 | 0.003 | 101.33 | 0.03 | 94.3 | 0.03 | 91.35 | 0.03 | 1,785.8 | 0.7 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C19 H21 N O3 S - | - C19 H22 N2 O2 S - | - C76 H88 N8 O8 S4 - | 4 | 2 | LI0075 | McKenna, R.; Neidle, S.; Wilson, W. D. | Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA | Acta Crystallographica Section C | 1,991 | 47 | 11 | 2511 | 2513 | 10.1107/S0108270191005991 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | McKenna, R.; Neidle, S.; Wilson, W. D.
Structures of 1-(3,3-dimethylamino)propyl naphtho[2,1-<i>b</i>]thiophene-4-carboxylate and <i>N</i>-(3,3-dimethylamino)propyl-8-methoxynaphtho[2,1-<i>b</i>]thiophene-4-carboxamide, intercalators into double-helical DNA
Acta Crystallographica Section C
47(11)
(1991)
2511-2513 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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7,015,063 | 25.4693 | 0.0008 | 13.6167 | 0.0005 | 25.9759 | 0.0009 | 90 | null | 117.403 | 0.002 | 90 | null | 7,997.8 | 0.5 | 213 | 2 | 213 | 2 | null | null | null | null | 9 | P 1 2/c 1 | -P 2yc | 13 | (Ru(bpy)2(dppcb)PtCl2)(PF6)2 | [Ru(bpy)2(dppcb)PtCl2](PF6)2 | - C75.5 H65 Cl9 F12 N4 O0.5 P6 Pt Ru - | - C75.5 H65 Cl9 F12 N4 O0.5 P6 Pt Ru - | - C302 H260 Cl36 F48 N16 O2 P24 Pt4 Ru4 - | 4 | 1 | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter | Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 15 | 3815 | 3829 | 10.1039/c0dt00253d | 0.71073 | MoKα | 0.0849 | 0.0497 | null | null | 0.1522 | 0.1797 | null | null | null | null | null | 1.026 | null | null | has coordinates | Eller, Sylvia; Trettenbrein, Barbara; Fessler, Markus; Haringer, Stephan; Ruggenthaler, Martin; Gutmann, Rene; van der Veer, Wytze E.; Kopacka, Holger; Müller, Thomas; Obendorf, Dagmar; Brüggeller, Peter
Surprising photochemical reactivity and visible light-driven energy transfer in heterodimetallic complexes.
Dalton t... | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,203 | 7.974 | 0.002 | 7.974 | 0.002 | 4.875 | 0.001 | 90 | null | 90 | null | 120 | null | 268.45 | 0.11 | null | null | null | null | null | null | null | null | 5 | P 3 2 1 | P 3 2" | null | - Al3.5 N1.5 Nd3 O12.5 Si2.5 - | - Al4 Nd3 O14 Si2 - | - Al4 Nd3 O14 Si2 - | 1 | 0.166667 | AB0206 | Käll, P.-O.; Grins, J.; Nygren, M. | Structure of the Nd U-phase, Nd~3~Al~3.5~Si~2.5~O~12.5~N~1.5~; a nitrogen-containing phase of the La~3~Ga~5~GeO~14~ structure type | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2015 | 2019 | 10.1107/S0108270191005024 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Käll, P.-O.; Grins, J.; Nygren, M.
Structure of the Nd U-phase, Nd~3~Al~3.5~Si~2.5~O~12.5~N~1.5~; a nitrogen-containing phase of the La~3~Ga~5~GeO~14~ structure type
Acta Crystallographica Section C
47(10)
(1991)
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2,000,204 | 10.324 | 0.0006 | 10.324 | 0.0006 | 10.324 | 0.0006 | 90 | null | 90 | null | 90 | null | 1,100.38 | 0.11 | null | null | null | null | null | null | null | null | 4 | P a -3 | -P 2ac 2ab 3 | null | - Br2 Cu H12 O12 - | - Br2 Cu H12 O12 - | - Br8 Cu4 H48 O48 - | 4 | 0.166667 | CR0311 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. | Structure of hexaaquacopper(II) bromate | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2019 | 2023 | 10.1107/S0108270191005048 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.
Structure of hexaaquacopper(II) bromate
Acta Crystallographica Section C
47(10)
(1991)
2019-2023 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,205 | 15.02 | 0.009 | 7.555 | 0.002 | 18.134 | 0.015 | 90 | null | 112.22 | 0.06 | 90 | null | 1,905 | 2 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C23 H19 Fe N3 O2 - | - C23 H19 Fe N3 O2 - | - C92 H76 Fe4 N12 O8 - | 4 | 1 | MU0246 | Coe, B. J.; Foulon, J.-D.; Hamor, T. A.; Jones, C. J.; McCleverty, J. A. | Synthesis and structure of 4-ferrocenyl-2'-methyl-4'-nitroazobenzene | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2032 | 2035 | 10.1107/S0108270191003748 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Coe, B. J.; Foulon, J.-D.; Hamor, T. A.; Jones, C. J.; McCleverty, J. A.
Synthesis and structure of 4-ferrocenyl-2'-methyl-4'-nitroazobenzene
Acta Crystallographica Section C
47(10)
(1991)
2032-2035 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,206 | 9.171 | 0.001 | 8.999 | 0.001 | 26.677 | 0.003 | 90 | null | 94.08 | 0.01 | 90 | null | 2,196.1 | 0.4 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C14 H21 Cl2 Cu N7 O8 - | - C14 H21 Cl2 Cu N7 O15 - | - C56 H84 Cl8 Cu4 N28 O60 - | 4 | 1 | ST0482 | Oberhausen, K. J.; Easley, W. D.; Richardson, J. F.; Buchanan, R. M. | Structure of {bis[(1-methylimidazol-2-yl)methyl]amine}(1-methylimidazole)copper(II) diperchlorate | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2037 | 2040 | 10.1107/S010827019100344X | 0.71093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Oberhausen, K. J.; Easley, W. D.; Richardson, J. F.; Buchanan, R. M.
Structure of {bis[(1-methylimidazol-2-yl)methyl]amine}(1-methylimidazole)copper(II) diperchlorate
Acta Crystallographica Section C
47(10)
(1991)
2037-2040 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,000,207 | 15.739 | 0.005 | 7.466 | 0.001 | 20.286 | 0.005 | 90 | null | 97.21 | 0.02 | 90 | null | 2,364.9 | 1 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C26 H24 O6 Ti - | - C26 H24 O6 Ti - | - C104 H96 O24 Ti4 - | 4 | 1 | MU0235 | Bracke, B.; Dang, Y.; Lenstra, A. T. H.; Geise, H. J. | Bis(cyclopentadienyl)bis(<i>m</i>-methoxybenzoato)titanium(IV) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2043 | 2047 | 10.1107/S0108270191003864 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bracke, B.; Dang, Y.; Lenstra, A. T. H.; Geise, H. J.
Bis(cyclopentadienyl)bis(<i>m</i>-methoxybenzoato)titanium(IV)
Acta Crystallographica Section C
47(10)
(1991)
2043-2047 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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7,205,906 | 20.254 | 0.004 | 11.741 | 0.002 | 25.352 | 0.005 | 90 | null | 90 | null | 90 | null | 6,029 | 2 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C14 H18 Bi2 I8 N2 - | - C14 H18 Bi2 I8 N2 - | - C112 H144 Bi16 I64 N16 - | 8 | 1 | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping | Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 13 | 5659 | 5667 | 10.1039/c0cp02431g | 0.71073 | MoKα | 0.0988 | 0.0634 | null | null | 0.1426 | 0.163 | null | null | null | null | null | 1.043 | null | null | has coordinates | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping
Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.
Physical chemistry chemical physics : PCCP
13(13)
(2011)
5659-5667 | 180,390 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,208 | 7.73 | 0.004 | 13.408 | 0.009 | 30.59 | 0.03 | 90 | null | 94.9 | 0.07 | 90 | null | 3,159 | 4 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H30 N3 Nd O18 S3 - | - C21 H30 N3 Nd O18 S3 - | - C84 H120 N12 Nd4 O72 S12 - | 4 | 1 | MU0227 | Starynowicz, P. | Structure of octaaquasaccharinatoneodymium disaccharinate hydrate | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2063 | 2065 | 10.1107/S0108270191003967 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Starynowicz, P.
Structure of octaaquasaccharinatoneodymium disaccharinate hydrate
Acta Crystallographica Section C
47(10)
(1991)
2063-2065 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,209 | 12.737 | 0.001 | 39.46 | 0.004 | 12.765 | 0.001 | 90 | null | 116.4 | 0.01 | 90 | null | 5,746.6 | 1 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | null | - C57 H82 Mn O12 S2 - | - C61 H38 Mn O12 S2 - | - C244 H152 Mn4 O48 S8 - | 4 | 1 | CR0288 | Burns, J. H.; Lumetta, G. J. | Complexes of manganese and zinc di-<i>tert</i>-butylnaphthalenesulfonate with cyclohexano-15-crown-5 ether toluene solvate | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2069 | 2073 | 10.1107/S0108270191003797 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Burns, J. H.; Lumetta, G. J.
Complexes of manganese and zinc di-<i>tert</i>-butylnaphthalenesulfonate with cyclohexano-15-crown-5 ether toluene solvate
Acta Crystallographica Section C
47(10)
(1991)
2069-2073 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,210 | 12.766 | 0.002 | 39.083 | 0.005 | 12.771 | 0.002 | 90 | null | 116.44 | 0.01 | 90 | null | 5,705.4 | 1.5 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | null | - C57 H82 O3 S2 Zn - | - C61 H38 O12 S2 Zn - | - C244 H152 O48 S8 Zn4 - | 4 | 1 | CR0288 | Burns, J. H.; Lumetta, G. J. | Complexes of manganese and zinc di-<i>tert</i>-butylnaphthalenesulfonate with cyclohexano-15-crown-5 ether toluene solvate | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2069 | 2073 | 10.1107/S0108270191003797 | 0.71073 | mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Burns, J. H.; Lumetta, G. J.
Complexes of manganese and zinc di-<i>tert</i>-butylnaphthalenesulfonate with cyclohexano-15-crown-5 ether toluene solvate
Acta Crystallographica Section C
47(10)
(1991)
2069-2073 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,211 | 6.623 | 0.002 | 9.723 | 0.002 | 12.658 | 0.003 | 85.98 | 0.02 | 79.72 | 0.02 | 79.95 | 0.02 | 789.1 | 0.4 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C20 H16 Cl2 Cu S16 - | - C20 H16 Cl2 Cu S16 - | - C20 H16 Cl2 Cu S16 - | 1 | 0.5 | CR0332 | Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J. | Structure and conductivity of a new phase of di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] dichlorocuprate(I); β-(BEDT-TTF)~2~CuCl~2~ | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2082 | 2085 | 10.1107/S010827019100505X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J.
Structure and conductivity of a new phase of di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] dichlorocuprate(I); β-(BEDT-TTF)~2~CuCl~2~
Acta Crystallographica Section C
47(10)
(1991)
2082-2085 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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7,205,905 | 8.4498 | 0.0017 | 31.165 | 0.006 | 21.534 | 0.004 | 90 | null | 90 | null | 90 | null | 5,670.7 | 1.9 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C36 H39 Bi2.67 I11 N6 - | - C36 H39 Bi2.667 I11 N6 - | - C144 H156 Bi10.668 I44 N24 - | 4 | 0.5 | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping | Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 13 | 5659 | 5667 | 10.1039/c0cp02431g | 0.71073 | MoKα | 0.0767 | 0.063 | null | null | 0.1736 | 0.1842 | null | null | null | null | null | 1.14 | null | null | has coordinates,has disorder | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping
Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.
Physical chemistry chemical physics : PCCP
13(13)
(2011)
5659-5667 | 180,390 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:22:32 +0200 (Sat, 26 Mar 2016) $
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2,000,212 | 8.893 | 0.001 | 9.712 | null | 12.745 | 0.003 | 90 | null | 103.38 | 0.01 | 90 | null | 1,070.9 | 0.3 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C10 H28 Cl4 P4 Pd2 - | - C10 H28 Cl4 P4 Pd2 - | - C20 H56 Cl8 P8 Pd4 - | 2 | 0.5 | CR0322 | Davies, J. A.; Pinkerton, A. A.; Vilmer, M. | <i>cis</i>,<i>cis</i>-[Bis(dimethylphosphino)methane]tetrachlorodipalladium(II) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2092 | 2094 | 10.1107/S0108270191004869 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Davies, J. A.; Pinkerton, A. A.; Vilmer, M.
<i>cis</i>,<i>cis</i>-[Bis(dimethylphosphino)methane]tetrachlorodipalladium(II)
Acta Crystallographica Section C
47(10)
(1991)
2092-2094 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,213 | 9.006 | 0.001 | 14.209 | 0.002 | 10.908 | 0.002 | 90 | null | 117.88 | 0.01 | 90 | null | 1,233.8 | 0.3 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C4 H12 N2 O8 Pt S2 - | - C4 H12 N2 O8 Pt S2 - | - C16 H48 N8 O32 Pt4 S8 - | 4 | 1 | AB0214 | Boström, D.; Strandberg, R.; Norén, B.; Oskarsson, Å. | <i>cis</i>/<i>trans</i> influences on square-planar platinum(II) complexes. Structure of <i>cis</i>-bis(dimethyl sulfoxide)dinitratoplatinum(II) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2101 | 2104 | 10.1107/S010827019100567X | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Boström, D.; Strandberg, R.; Norén, B.; Oskarsson, Å.
<i>cis</i>/<i>trans</i> influences on square-planar platinum(II) complexes. Structure of <i>cis</i>-bis(dimethyl sulfoxide)dinitratoplatinum(II)
Acta Crystallographica Section C
47(10)
(1991)
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2,000,214 | 6.926 | 0.001 | 9.084 | 0.002 | 18.602 | 0.003 | 90 | null | 90 | null | 90 | null | 1,170.4 | 0.4 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H14 N3 O6 P - | - C8 H14 N3 O6 P - | - C32 H56 N12 O24 P4 - | 4 | 1 | AB0159 | Symerský, J.; Holý, A. | Structure of 1-(<i>S</i>)-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine; an antiviral agent | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2104 | 2107 | 10.1107/S0108270190013257 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Symerský, J.; Holý, A.
Structure of 1-(<i>S</i>)-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine; an antiviral agent
Acta Crystallographica Section C
47(10)
(1991)
2104-2107 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,215 | 27.479 | 0.004 | 5.128 | 0.001 | 21.811 | 0.003 | 90 | null | 139.35 | 0.01 | 90 | null | 2,002.2 | 0.7 | null | null | null | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | null | - C20 H24 Br N O6 - | - C20 H24 Br N O6 - | - C80 H96 Br4 N4 O24 - | 4 | 1 | AB0186 | Arrieta, J. M.; Domínguez, E.; Lete, E.; Villa, M. J.; Germain, G.; Vlassi, M.; Prewo, R.; Bieri, J. H. | <i>N</i>-2-(2-Bromo-4,5-dimethoxyphenyl)-1-(2,3,4-trimethoxyphenyl)ethylformamide | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2115 | 2118 | 10.1107/S0108270191003141 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Arrieta, J. M.; Domínguez, E.; Lete, E.; Villa, M. J.; Germain, G.; Vlassi, M.; Prewo, R.; Bieri, J. H.
<i>N</i>-2-(2-Bromo-4,5-dimethoxyphenyl)-1-(2,3,4-trimethoxyphenyl)ethylformamide
Acta Crystallographica Section C
47(10)
(1991)
2115-2118 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,216 | 9.881 | 0.001 | 12.687 | 0.002 | 15.438 | 0.005 | 109.65 | 0.01 | 90.94 | 0.02 | 95.78 | 0.01 | 1,810.7 | 0.7 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C18 H25 N3 O4 - | - C18 H25 N3 O4 - | - C72 H100 N12 O16 - | 4 | 2 | CR0270 | Punte, G.; Rivero, B. E. | Investigation of the geometry of substituted dinitroanilines. III. Structural study of <i>N</i>,<i>N</i>-dicyclohexyl-2,4-dinitroaniline | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2118 | 2122 | 10.1107/S0108270191002901 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Punte, G.; Rivero, B. E.
Investigation of the geometry of substituted dinitroanilines. III. Structural study of <i>N</i>,<i>N</i>-dicyclohexyl-2,4-dinitroaniline
Acta Crystallographica Section C
47(10)
(1991)
2118-2122 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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7,205,904 | 24.862 | 0.005 | 31.758 | 0.006 | 20.555 | 0.004 | 90 | null | 90 | null | 90 | null | 16,230 | 5 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C99 H99 Bi8 I33 N18 - | - C99 H99 Bi8 I33 N18 - | - C396 H396 Bi32 I132 N72 - | 4 | 0.5 | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping | Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 13 | 5659 | 5667 | 10.1039/c0cp02431g | 0.71073 | MoKα | 0.1118 | 0.0893 | null | null | 0.1949 | 0.2076 | null | null | null | null | null | 1.189 | null | null | has coordinates | Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping
Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.
Physical chemistry chemical physics : PCCP
13(13)
(2011)
5659-5667 | 180,390 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,217 | 22.525 | 0.002 | 11.73 | 0.002 | 7.568 | 0.002 | 90 | null | 90 | null | 90 | null | 1,999.6 | 0.7 | null | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C13 H8 F N - | - C13 H8 F N - | - C104 H64 F8 N8 - | 8 | 1 | ST0506 | Gleason, W. B.; Brostrom, M.; Etter, M. C.; Johnson, R. B. | Structure of 4-cyano-4'-fluorobiphenyl | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2131 | 2134 | 10.1107/S0108270191003451 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gleason, W. B.; Brostrom, M.; Etter, M. C.; Johnson, R. B.
Structure of 4-cyano-4'-fluorobiphenyl
Acta Crystallographica Section C
47(10)
(1991)
2131-2134 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,218 | 6.589 | 0.001 | 9.784 | 0.002 | 14.394 | 0.002 | 90 | null | 95.69 | 0.01 | 90 | null | 923.4 | 0.3 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C13 H8 O2 - | - C13 H8 O2 - | - C52 H32 O8 - | 4 | 1 | ST0505 | Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.; Rawal, V. H. | Structure of 4-dibenzofurancarboxaldehyde, C~13~H~8~O~2~ | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2134 | 2137 | 10.1107/S0108270191003384 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.; Rawal, V. H.
Structure of 4-dibenzofurancarboxaldehyde, C~13~H~8~O~2~
Acta Crystallographica Section C
47(10)
(1991)
2134-2137 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,219 | 13.378 | 0.007 | 6.614 | 0.001 | 23.04 | 0.015 | 90 | null | 92.53 | 0.05 | 90 | null | 2,036.6 | 1.7 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C12 H11 N O4 - | - C12 H11 N O4 - | - C96 H88 N8 O32 - | 8 | 2 | CR0314 | Ammon, H. L.; Paquette, L. A. | Structure of 9-nitro-[4]peristylane-1,5-dione | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2156 | 2159 | 10.1107/S0108270191003980 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ammon, H. L.; Paquette, L. A.
Structure of 9-nitro-[4]peristylane-1,5-dione
Acta Crystallographica Section C
47(10)
(1991)
2156-2159 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,220 | 11.467 | 0.001 | 8.756 | 0.001 | 11.9339 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,198.22 | 0.19 | null | null | null | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | null | - C12 H11 N3 O6 - | - C12 H11 N3 O6 - | - C48 H44 N12 O24 - | 4 | 1 | CR0315 | Ammon, H. L.; Paquette, L. A. | Structure of 1,5,9-trinitrobishomopentaprismane | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2159 | 2164 | 10.1107/S0108270191003803 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ammon, H. L.; Paquette, L. A.
Structure of 1,5,9-trinitrobishomopentaprismane
Acta Crystallographica Section C
47(10)
(1991)
2159-2164 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,221 | 7.618 | 0.004 | 22.321 | 0.01 | 8.311 | 0.003 | 90 | null | 90.14 | 0.04 | 90 | null | 1,413.2 | 1.1 | null | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C6 H13 N O12 P2 - | - C6 H13 N O12 P2 - | - C24 H52 N4 O48 P8 - | 4 | 2 | MU0238 | Weichsel, A.; Lis, T.; Kuczek, M. | Structure of ammonium hydrogen bis(phosphoenolpyruvate) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2164 | 2167 | 10.1107/S0108270191003979 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Weichsel, A.; Lis, T.; Kuczek, M.
Structure of ammonium hydrogen bis(phosphoenolpyruvate)
Acta Crystallographica Section C
47(10)
(1991)
2164-2167 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,222 | 10.2585 | 0.0003 | 19.7992 | 0.0007 | 9.9408 | 0.0004 | 90 | null | 92.009 | 0.004 | 90 | null | 2,017.84 | 0.12 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C22 H26 N4 O3 - | - C22 H26 N4 O3 - | - C88 H104 N16 O12 - | 4 | 2 | AB0201 | Csöregh, I.; Ertan, A.; Moberg, C.; Wärnmark, K. | Structures of novel macrocyclic dipyridylmethaneamides | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2171 | 2176 | 10.1107/S0108270191004596 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Csöregh, I.; Ertan, A.; Moberg, C.; Wärnmark, K.
Structures of novel macrocyclic dipyridylmethaneamides
Acta Crystallographica Section C
47(10)
(1991)
2171-2176 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,223 | 10.336 | 0.001 | 18.478 | 0.002 | 19.048 | 0.002 | 115.906 | 0.001 | 101.773 | 0.005 | 98.575 | 0.004 | 3,084.1 | 0.6 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C22 H26 N4 O3 - | - C22 H26 N4 O3 - | - C132 H156 N24 O18 - | 6 | 3 | AB0201 | Csöregh, I.; Ertan, A.; Moberg, C.; Wärnmark, K. | Structures of novel macrocyclic dipyridylmethaneamides | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2171 | 2176 | 10.1107/S0108270191004596 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Csöregh, I.; Ertan, A.; Moberg, C.; Wärnmark, K.
Structures of novel macrocyclic dipyridylmethaneamides
Acta Crystallographica Section C
47(10)
(1991)
2171-2176 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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2,000,224 | 20.888 | 0.001 | 4.858 | 0.001 | 9.221 | 0.001 | 90 | null | 99.888 | 0.005 | 90 | null | 921.8 | 0.2 | null | null | null | null | null | null | null | null | 3 | C 1 c 1 | C -2yc | null | - C7 H16 O7 - | - C7 H16 O7 - | - C28 H64 O28 - | 4 | 1 | AB0193 | Kopf, J.; Morf, M.; Zimmer, B.; Bischoff, M.; Köll, P. | Structure of racemic perseitol (<small>D</small>,<small>L</small>-<i>glycero</i>-<small>D</small>,<small>L</small>-<i>galacto</i>-heptitol) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2186 | 2188 | 10.1107/S0108270191003724 | 1.54051 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kopf, J.; Morf, M.; Zimmer, B.; Bischoff, M.; Köll, P.
Structure of racemic perseitol (<small>D</small>,<small>L</small>-<i>glycero</i>-<small>D</small>,<small>L</small>-<i>galacto</i>-heptitol)
Acta Crystallographica Section C
47(10)
(1991)
2186-2188 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,225 | 9.385 | 0.005 | 12.702 | 0.009 | 8.261 | 0.005 | 90 | null | 110.94 | 0.04 | 90 | null | 919.7 | 1 | null | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | null | - C2 Cs N3 - | - C2 Cs N3 - | - C16 Cs8 N24 - | 8 | 1 | MU0242 | Starynowicz, P. | Structure of caesium dicyanamide | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2198 | 2199 | 10.1107/S0108270191003700 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Starynowicz, P.
Structure of caesium dicyanamide
Acta Crystallographica Section C
47(10)
(1991)
2198-2199 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,205,903 | 13.471 | 0.003 | 18.802 | 0.004 | 12.373 | 0.003 | 90 | null | 95.42 | 0.03 | 90 | null | 3,119.8 | 1.2 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | benzodiazacoronand | N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide | - C34 H37 N3 O8 - | - C34 H37 N3 O8 - | - C136 H148 N12 O32 - | 4 | 1 | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J. | Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 14 | 6423 | 6433 | 10.1039/c0cp02401e | 0.82657 | synchrotron | 0.0607 | 0.0596 | null | null | 0.157 | 0.1579 | null | null | null | null | null | 1.006 | null | null | has coordinates,has disorder | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.
Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.
... | 180,390 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,226 | 9.023 | 0.003 | 12.081 | 0.005 | 16.72 | 0.011 | 90 | null | 97.06 | 0.04 | 90 | null | 1,808.8 | 1.5 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C14 H10 Fe2 O7 S2 - | - C14 H10 Fe2 O7 S2 - | - C56 H40 Fe8 O28 S8 - | 4 | 1 | AB0169 | Liu, X. L.; Chen, H. L.; Miao, F. M.; Song, L. C.; Hu, Q. M. | Structure of an Fe–S cluster complex | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2199 | 2201 | 10.1107/S0108270191003062 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Liu, X. L.; Chen, H. L.; Miao, F. M.; Song, L. C.; Hu, Q. M.
Structure of an Fe–S cluster complex
Acta Crystallographica Section C
47(10)
(1991)
2199-2201 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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2,000,227 | 12.032 | 0.003 | 7.288 | 0.004 | 16.933 | 0.004 | 90 | null | 90.44 | 0.04 | 90 | null | 1,484.8 | 1 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C22 H36 Ag2 N8 S4 - | - C22 H34 Ag2 N8 S4 - | - C44 H68 Ag4 N16 S8 - | 2 | 0.5 | AB0168 | Wang, J.-L.; Sun, M.; Miao, F. M.; Wu, S.-Y.; Gong, F.-S.; Duan, X.-H. | Structure of an inclusion compound of Ag~2~(SCN)~4~ and 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazatricyclo[9.3.1.1^4,8^]hexadecane | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2203 | 2205 | 10.1107/S0108270191003888 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Wang, J.-L.; Sun, M.; Miao, F. M.; Wu, S.-Y.; Gong, F.-S.; Duan, X.-H.
Structure of an inclusion compound of Ag~2~(SCN)~4~ and 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazatricyclo[9.3.1.1^4,8^]hexadecane
Acta Crystallographica Section C
47(10)
(1991)
2203-2205 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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2,000,228 | 8.783 | 0.002 | 9.304 | 0.003 | 26.993 | 0.005 | 90 | null | 90 | null | 90 | null | 2,205.8 | 1 | null | null | null | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | null | - C10 H8 Cl Cu N O4 - | - C10 H8 Cl Cu N O4 - | - C80 H64 Cl8 Cu8 N8 O32 - | 8 | 1 | AB0196 | Wang, J.-L.; Tian, G.-H.; Miao, F. M.; Liu, H.-Q.; Chen, R.-T. | Structure of the complex [<i>N</i>-(<i>p</i>-chlorophenyl)iminodiacetato]copper(II) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2205 | 2207 | 10.1107/S010827019100389X | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Wang, J.-L.; Tian, G.-H.; Miao, F. M.; Liu, H.-Q.; Chen, R.-T.
Structure of the complex [<i>N</i>-(<i>p</i>-chlorophenyl)iminodiacetato]copper(II)
Acta Crystallographica Section C
47(10)
(1991)
2205-2207 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,229 | 9.129 | 0.001 | 14.207 | 0.001 | 11.003 | 0.001 | 90 | null | 102.36 | 0.01 | 90 | null | 1,394 | 0.2 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C11 H18 Br N3 O2 Zn - | - C11 H18 Br N3 O2 Zn - | - C44 H72 Br4 N12 O8 Zn4 - | 4 | 1 | AB0195 | Kratochvíl, B.; Ondráček, J.; Novotný, J.; Haber, V. | Structure of a zinc(II) complex with a non-symmetrical tetradentate Schiff base | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2207 | 2209 | 10.1107/S0108270191003207 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kratochvíl, B.; Ondráček, J.; Novotný, J.; Haber, V.
Structure of a zinc(II) complex with a non-symmetrical tetradentate Schiff base
Acta Crystallographica Section C
47(10)
(1991)
2207-2209 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,230 | 9.107 | 0.001 | 9.632 | 0.002 | 21.53 | 0.002 | 90 | null | 90 | null | 90 | null | 1,888.6 | 0.5 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C6 H18 Cr P3 S6 - | - C6 H18 Cr P3 S6 - | - C24 H72 Cr4 P12 S24 - | 4 | 1 | CR0330 | Skrzypczak-Jankun, E.; Pinkerton, A. A. | Tris(dimethyldithiophosphinato)chromium(III) ‒ orthorhombic form | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2211 | 2212 | 10.1107/S0108270191005073 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Skrzypczak-Jankun, E.; Pinkerton, A. A.
Tris(dimethyldithiophosphinato)chromium(III) ‒ orthorhombic form
Acta Crystallographica Section C
47(10)
(1991)
2211-2212 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,231 | 7.702 | 0.001 | 9.343 | 0.001 | 11.275 | 0.001 | 99.24 | 0.01 | 103.36 | 0.01 | 102.08 | 0.01 | 753.07 | 0.16 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H14 Cu N4 O9 - | - C10 H14 Cu N4 O10 - | - C20 H28 Cu2 N8 O20 - | 2 | 1 | AB0192 | Mathews, I. I.; Manohar, H. | Redetermination of the structure of triaqua(2,2'-bipyridine)nitratocopper(II) nitrate | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2213 | 2214 | 10.1107/S0108270191003591 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mathews, I. I.; Manohar, H.
Redetermination of the structure of triaqua(2,2'-bipyridine)nitratocopper(II) nitrate
Acta Crystallographica Section C
47(10)
(1991)
2213-2214 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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2,000,232 | 6.862 | 0.001 | 6.923 | 0.002 | 11.215 | 0.002 | 82.65 | 0.01 | 83.27 | 0.01 | 61.3 | 0.01 | 462.53 | 0.18 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C6 H7 Cl3 Ti - | - C6 H7 Cl3 Ti - | - C12 H14 Cl6 Ti2 - | 2 | 1 | CR0327 | Kirschbaum, K.; Giolando, D. M. | Structure of trichloro(η^5^-methylcyclopentadienyl)titanium(IV) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2216 | 2218 | 10.1107/S0108270191005061 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kirschbaum, K.; Giolando, D. M.
Structure of trichloro(η^5^-methylcyclopentadienyl)titanium(IV)
Acta Crystallographica Section C
47(10)
(1991)
2216-2218 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,000,233 | 17.662 | 0.003 | 5.9287 | 0.0007 | 8.4003 | 0.001 | 90 | null | 99.857 | 0.013 | 90 | null | 866.6 | 0.2 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C11 H10 O2 - | - C11 H10 O2 - | - C44 H40 O8 - | 4 | 1 | ST0497 | Prince, P.; Fronczek, F. R.; Gandour, R. D. | 7-Methoxy-2-naphthol | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2218 | 2220 | 10.1107/S0108270191003992 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Prince, P.; Fronczek, F. R.; Gandour, R. D.
7-Methoxy-2-naphthol
Acta Crystallographica Section C
47(10)
(1991)
2218-2220 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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7,205,902 | 16.375 | 0.002 | 27.574 | 0.002 | 23.898 | 0.003 | 90 | null | 109.868 | 0.01 | 90 | null | 10,148 | 2 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | benzodiazacoronand | N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide | - C108 H118 N12 O33 - | - C108 H118 N12 O33 - | - C432 H472 N48 O132 - | 4 | 1 | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J. | Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 14 | 6423 | 6433 | 10.1039/c0cp02401e | 0.8088 | synchrotron | 0.05 | 0.0474 | null | null | 0.1302 | 0.1331 | null | null | null | null | null | 1.057 | null | null | has coordinates | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.
Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.
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2,000,234 | 8.4835 | 0.0007 | 11.801 | 0.002 | 12.036 | 0.002 | 82.321 | 0.01 | 76.56 | 0.008 | 73.261 | 0.008 | 1,119.4 | 0.3 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C24 H20 O6 S2 - | - C24 H20 O6 S2 - | - C48 H40 O12 S4 - | 2 | 1 | ST0495 | Prince, P.; Fronczek, F. R.; Gandour, R. D. | 2,7-Naphthalenediyl bis(<i>p</i>-toluenesulfonate) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2220 | 2222 | 10.1107/S0108270191003608 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Prince, P.; Fronczek, F. R.; Gandour, R. D.
2,7-Naphthalenediyl bis(<i>p</i>-toluenesulfonate)
Acta Crystallographica Section C
47(10)
(1991)
2220-2222 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,235 | 3.9886 | 0.0002 | 11.7995 | 0.0009 | 22.789 | 0.003 | 90 | null | 92.748 | 0.006 | 90 | null | 1,071.3 | 0.17 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C13 H12 O3 - | - C13 H12 O3 - | - C52 H48 O12 - | 4 | 1 | ST0500 | Prince, P.; Fronczek, F. R.; Gandour, R. D. | Methyl 7-methoxy-2-naphthoate | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2226 | 2227 | 10.1107/S010827019100361X | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Prince, P.; Fronczek, F. R.; Gandour, R. D.
Methyl 7-methoxy-2-naphthoate
Acta Crystallographica Section C
47(10)
(1991)
2226-2227 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,236 | 11.737 | 0.002 | 21.244 | 0.004 | 22.932 | 0.003 | 90 | null | 90 | null | 90 | null | 5,717.9 | 1.6 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C13 H24 O3 S - | - C13 H24 O3 S - | - C208 H384 O48 S16 - | 16 | 4 | HA0034 | Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I. | Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2234 | 2236 | 10.1107/S0108270191002226 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.
Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)
Acta Crystallographica Section C
47(10)
(1991)
223... | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,237 | 8.651 | 0.002 | 11.92 | 0.004 | 14.256 | 0.003 | 90 | null | 90 | null | 90 | null | 1,470.1 | 0.7 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C14 H26 O3 S - | - C14 H26 O3 S - | - C56 H104 O12 S4 - | 4 | 1 | HA0034 | Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I. | Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II) | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2234 | 2236 | 10.1107/S0108270191002226 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.
Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)
Acta Crystallographica Section C
47(10)
(1991)
223... | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,238 | 9.434 | 0.008 | 6.11 | 0.004 | 13.322 | 0.01 | 90 | null | 105.02 | 0.06 | 90 | null | 741.7 | 1 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C20 H14 N4 - | - C20 H14 N4 - | - C40 H28 N8 - | 2 | 0.5 | AB0207 | Honey, G. E.; Steel, P. J. | Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2247 | 2249 | 10.1107/S0108270191005085 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Honey, G. E.; Steel, P. J.
Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine
Acta Crystallographica Section C
47(10)
(1991)
2247-2249 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,239 | 7.224 | 0.005 | 11.53 | 0.006 | 8.978 | 0.006 | 90 | null | 91.21 | 0.05 | 90 | null | 747.6 | 0.8 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C20 H14 N4 - | - C20 H14 N4 - | - C40 H28 N8 - | 2 | 0.5 | AB0207 | Honey, G. E.; Steel, P. J. | Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2247 | 2249 | 10.1107/S0108270191005085 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Honey, G. E.; Steel, P. J.
Structures of two modifications of 2,2':4',4'':2'',2'''-quaterpyridine
Acta Crystallographica Section C
47(10)
(1991)
2247-2249 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,240 | 9.666 | 0.002 | 9.933 | 0.002 | 16.023 | 0.003 | 90 | null | 106.01 | 0.02 | 90 | null | 1,478.7 | 0.5 | null | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C37 H40 B N O - | - C37 H40 B N O - | - C74 H80 B2 N2 O2 - | 2 | 1 | CR0304 | King, Jnr, J. A.; Bryant, Jnr, G. L. | Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2249 | 2252 | 10.1107/S0108270191005152 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | King, Jnr, J. A.; Bryant, Jnr, G. L.
Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt
Acta Crystallographica Section C
47(10)
(1991)
2249-2252 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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7,205,901 | 11.932 | 0.002 | 16.268 | 0.003 | 16.358 | 0.003 | 77.24 | 0.03 | 72.99 | 0.03 | 72.58 | 0.03 | 2,866 | 1.1 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | benzodiazacoronand | N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide | - C57 H70 N6 O20 - | - C57 H70 N6 O20 - | - C114 H140 N12 O40 - | 2 | 1 | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J. | Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 14 | 6423 | 6433 | 10.1039/c0cp02401e | 0.82657 | synchrotron | 0.0579 | 0.0558 | null | null | 0.1485 | 0.1505 | null | null | null | null | null | 1.051 | null | null | has coordinates | Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.
Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.
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2,000,241 | 9.196 | 0.003 | 13.442 | 0.003 | 12.718 | 0.003 | 90 | null | 104.46 | 0.02 | 90 | null | 1,522.3 | 0.7 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C13 H20 B F4 N O2 - | - C13 H20 B F4 N O2 - | - C52 H80 B4 F16 N4 O8 - | 4 | 1 | CR0304 | King, Jnr, J. A.; Bryant, Jnr, G. L. | Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2249 | 2252 | 10.1107/S0108270191005152 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | King, Jnr, J. A.; Bryant, Jnr, G. L.
Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt
Acta Crystallographica Section C
47(10)
(1991)
2249-2252 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,242 | 9.282 | 0.002 | 14.338 | 0.006 | 9.551 | 0.004 | 90 | null | 109.71 | 0.03 | 90 | null | 1,196.6 | 0.8 | null | null | null | null | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | - C30 H36 B N - | - C30 H36 B N - | - C60 H72 B2 N2 - | 2 | 0.5 | CR0304 | King, Jnr, J. A.; Bryant, Jnr, G. L. | Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2249 | 2252 | 10.1107/S0108270191005152 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | King, Jnr, J. A.; Bryant, Jnr, G. L.
Structures of two <i>N</i>-acyl triethyl ammonium salts and one simple triethyl ammonium salt
Acta Crystallographica Section C
47(10)
(1991)
2249-2252 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,243 | 7.5552 | 0.0008 | 7.763 | 0.001 | 9.073 | 0.001 | 110.742 | 0.009 | 99.57 | 0.009 | 100.309 | 0.009 | 474.12 | 0.11 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C10 H6 N2 O4 - | - C10 H6 N2 O4 - | - C20 H12 N4 O8 - | 2 | 1 | CR0316 | Ammon, H. L. | Structure of 1,3-dinitronaphthalene | Acta Crystallographica Section C | 1,991 | 47 | 10 | 2252 | 2254 | 10.1107/S0108270191003463 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ammon, H. L.
Structure of 1,3-dinitronaphthalene
Acta Crystallographica Section C
47(10)
(1991)
2252-2254 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,244 | 10.2987 | 0.0006 | 10.2987 | 0.0006 | 10.2987 | 0.0006 | 90 | null | 90 | null | 90 | null | 1,092.31 | 0.11 | null | null | null | null | null | null | null | null | 4 | P a -3 | -P 2ac 2ab 3 | null | - Br2 H12 Ni O12 - | - Br2 H12 Ni O12 - | - Br8 H48 Ni4 O48 - | 4 | 0.166667 | CR0303 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. | Structure of hexaaquanickel(II) bromate | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1786 | 1789 | 10.1107/S0108270191002196 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.
Structure of hexaaquanickel(II) bromate
Acta Crystallographica Section C
47(9)
(1991)
1786-1789 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,245 | 20.36 | 0.001 | 20.36 | 0.001 | 20.36 | 0.001 | 26.981 | 0.001 | 26.981 | 0.001 | 26.981 | 0.001 | 1,532.2 | 0.1 | null | null | null | null | null | null | null | null | 2 | R -3 c :R | -P 3* 2n | null | - Mo15 Se19 - | - Mo15 Se19 - | - Mo30 Se38 - | 2 | 0.166667 | DU0274 | Gougeon, P.; Potel, M.; Sergent, M. | Structure of the metastable binary β-Mo~15~Se~19~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,991 | 47 | 9 | 1791 | 1794 | 10.1107/S0108270191003050 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gougeon, P.; Potel, M.; Sergent, M.
Structure of the metastable binary β-Mo~15~Se~19~
Acta Crystallographica, Section C: Crystal Structure Communications
47(9)
(1991)
1791-1794 | 179,677 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,246 | 5.0148 | 0.0005 | 5.0148 | 0.0005 | 14.324 | 0.001 | 90 | null | 90 | null | 120 | null | 360.22 | 0.06 | null | null | null | null | null | null | null | null | 3 | R -3 :H | -R 3 | 148 | - Ge Mn O3 - | - Ge Mn O3 - | - Ge6 Mn6 O18 - | 6 | 0.333333 | LI0067 | Ross, N. L.; Reynard, B.; Guyot, F. | Structure of high-pressure MnGeO~3~ ilmenite | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1794 | 1796 | 10.1107/S0108270191003153 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ross, N. L.; Reynard, B.; Guyot, F.
Structure of high-pressure MnGeO~3~ ilmenite
Acta Crystallographica Section C
47(9)
(1991)
1794-1796 | 281,832 | 2023-03-13 | 7:36:37 | #------------------------------------------------------------------------------
#$Date: 2023-03-13 09:35:08 +0200 (Mon, 13 Mar 2023) $
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2,000,247 | 3.85 | 0.001 | 23.73 | 0.03 | 13.667 | 0.009 | 90 | null | 90 | null | 90 | null | 1,248.6 | 1.8 | null | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H12 O5 - | - C16 H12 O5 - | - C64 H48 O20 - | 4 | 1 | AB0156 | Ulický, L.; Kožíšek, J.; Ječný, J. | Structure of an anthracene derivative | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1879 | 1881 | 10.1107/S0108270191001166 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ulický, L.; Kožíšek, J.; Ječný, J.
Structure of an anthracene derivative
Acta Crystallographica Section C
47(9)
(1991)
1879-1881 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,248 | 23.95 | 0.02 | 6.55 | 0.006 | 26.59 | 0.02 | 90 | null | 96.4 | 0.1 | 90 | null | 4,145 | 6 | null | null | null | null | null | null | null | null | 4 | I 1 2/a 1 | -I 2ya | null | - C25 H18 Cl2 O - | - C25 H18 Cl2 O - | - C200 H144 Cl16 O8 - | 8 | 1 | LI0064 | Barnes, J. C.; Horspool, W. M.; Mackie, F. I. | 6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1881 | 1885 | 10.1107/S0108270191001932 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Barnes, J. C.; Horspool, W. M.; Mackie, F. I.
6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol
Acta Crystallographica Section C
47(9)
(1991)
1881-1885 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,900 | 18.1708 | 0.0007 | 6.5265 | 0.0002 | 17.4683 | 0.0007 | 90 | null | 116.771 | 0.001 | 90 | null | 1,849.55 | 0.12 | 90 | 2 | 90 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | bis[dimethyl(vinyl)silylcyclopentadienylnickel | - C18 H26 Ni2 Si2 - | - C18 H26 Ni2 Si2 - | - C72 H104 Ni8 Si8 - | 4 | 0.5 | Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B.; Woźniak, Krzysztof | On the nature of NiNi interaction in a model dimeric Ni complex. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 21 | 10280 | 10284 | 10.1039/c0cp01984d | x-ray | 0.71073 | MoKα | 0.018 | 0.012 | null | null | null | 0.034 | 0.017 | null | null | null | null | 1.072 | null | null | has coordinates | Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B.; Woźniak, Krzysztof
On the nature of NiNi interaction in a model dimeric Ni complex.
Physical chemistry chemical physics : PCCP
13(21)
(2011)
10280-10284 | 180,390 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,249 | 12.211 | 0.008 | 26.5 | 0.02 | 12.477 | 0.009 | 90 | null | 99.12 | 0.01 | 90 | null | 3,986 | 5 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C25 H19 Cl O - | - C25 H19 Cl O - | - C200 H152 Cl8 O8 - | 8 | 2 | LI0064 | Barnes, J. C.; Horspool, W. M.; Mackie, F. I. | 6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1881 | 1885 | 10.1107/S0108270191001932 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Barnes, J. C.; Horspool, W. M.; Mackie, F. I.
6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol
Acta Crystallographica Section C
47(9)
(1991)
1881-1885 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,250 | 13.107 | 0.012 | 11.828 | 0.008 | 7.74 | 0.006 | 90 | null | 109.93 | 0.06 | 90 | null | 1,128.1 | 1.6 | null | null | null | null | null | null | null | null | 3 | P 1 21 1 | null | - C10 H16 O4 - | - C10 H16 O4 - | - C40 H64 O16 - | 4 | 2 | LI0059 | Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A. | Camphoric acid and ammonium hydrogen camphorate monohydrate | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1888 | 1892 | 10.1107/S0108270191001713 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.
Camphoric acid and ammonium hydrogen camphorate monohydrate
Acta Crystallographica Section C
47(9)
(1991)
1888-1892 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,251 | 13.013 | 0.005 | 13.013 | 0.005 | 6.326 | 0.007 | 90 | null | 90 | null | 120 | null | 927.7 | 1.1 | null | null | null | null | null | null | null | null | 4 | P 32 | null | - C10 H21 N O5 - | - C10 H21 N O5 - | - C30 H63 N3 O15 - | 3 | 1 | LI0059 | Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A. | Camphoric acid and ammonium hydrogen camphorate monohydrate | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1888 | 1892 | 10.1107/S0108270191001713 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.
Camphoric acid and ammonium hydrogen camphorate monohydrate
Acta Crystallographica Section C
47(9)
(1991)
1888-1892 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,252 | 12.69 | 0.003 | 6.14 | 0.001 | 19.66 | 0.004 | 90 | null | 106.74 | 0.02 | 90 | null | 1,466.9 | 0.5 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C20 H16 O2 - | - C20 H16 O2 - | - C80 H64 O8 - | 4 | 1 | CR0275 | Badejo, I. T.; Fry, J. L.; Karaman, R.; Nadkarni, D.; Pinkerton, A. A. | 9-(Cyclohepta-2,4,6-trien-1-yl)xanthen-9-ol. X-ray crystal structure and computationally optimized structures compared | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1895 | 1898 | 10.1107/S0108270191001038 | 0.71073 | mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Badejo, I. T.; Fry, J. L.; Karaman, R.; Nadkarni, D.; Pinkerton, A. A.
9-(Cyclohepta-2,4,6-trien-1-yl)xanthen-9-ol. X-ray crystal structure and computationally optimized structures compared
Acta Crystallographica Section C
47(9)
(1991)
1895-1898 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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7,205,899 | 26.943 | 0.002 | 7.2476 | 0.0006 | 6.9261 | 0.0005 | 90 | null | 97.703 | 0.002 | 90 | null | 1,340.27 | 0.18 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C15 H10 Mn O7 - | - C15 H10 Mn O7 - | - C60 H40 Mn4 O28 - | 4 | 0.5 | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K. | Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 17 | 7622 | 7629 | 10.1039/c0cp01717e | 0.7749 | synchrotron | 0.0312 | 0.0258 | null | null | 0.0631 | 0.066 | null | null | null | null | null | 1.045 | null | null | has coordinates | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.
Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.
Physical chemistry chemical physics : PCCP
13(17)
(2011)
7622-7629 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
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2,000,253 | 8.975 | 0.001 | 14.727 | 0.001 | 13.151 | 0.003 | 90 | null | 93.46 | 0.01 | 90 | null | 1,735.1 | 0.5 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C5 H6 O S4 - | - C5 H6 O S4 - | - C40 H48 O8 S32 - | 8 | 2 | AB0174 | Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E. | Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1905 | 1908 | 10.1107/S0108270191001786 | 0.71073 | mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E.
Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin
Acta Crystallographica Section C
47(9)
(1991)
1905-1908 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,254 | 12.099 | 0.002 | 17.613 | 0.002 | 8.201 | 0.003 | 90 | null | 108.43 | 0.02 | 90 | null | 1,658 | 0.7 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C5 H4 S5 - | - C5 H4 S5 - | - C40 H32 S40 - | 8 | 2 | AB0174 | Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E. | Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1905 | 1908 | 10.1107/S0108270191001786 | 0.71073 | mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mogensen, P. K.; Simonsen, O.; Wainwright, C. E.; Underhill, A. E.
Structures of 4,5-bis(methylthio)-3<i>H</i>-1,2-dithiole-3-thione and 1,2-dithiole-3-thione[5,4-<i>b</i>]-5,6-dihydro-1,4-dithiin
Acta Crystallographica Section C
47(9)
(1991)
1905-1908 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,255 | 6.678 | 0.003 | 9.635 | 0.003 | 9.947 | 0.005 | 114.79 | 0.03 | 106.01 | 0.04 | 90.39 | 0.04 | 553 | 0.5 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H13 N3 O - | - C12 H13 N3 O - | - C24 H26 N6 O2 - | 2 | 1 | LI0065 | Bird, C. W.; Nyburg, S. C.; Parkins, A. W. | 2,2-Dimethyl-1,2,3,4-tetrahydrobenzimidazo[3,2-<i>a</i>]pyrimid-4-one | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1943 | 1945 | 10.1107/S0108270191002780 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bird, C. W.; Nyburg, S. C.; Parkins, A. W.
2,2-Dimethyl-1,2,3,4-tetrahydrobenzimidazo[3,2-<i>a</i>]pyrimid-4-one
Acta Crystallographica Section C
47(9)
(1991)
1943-1945 | 301,791 | 2025-08-18 | 23:14:58 | #------------------------------------------------------------------------------
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2,000,256 | 9.127 | 0.001 | 9.371 | 0.001 | 14.893 | 0.001 | 85.665 | 0.006 | 79.203 | 0.005 | 62.109 | 0.007 | 1,105.8 | 0.2 | null | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C24 H19 N O2 P Rh S - | - C24 N O2 P Rh S - | - C48 N2 O4 P2 Rh2 S2 - | 2 | 1 | AB0187 | Basson, S. S.; Leipoldt, J. G.; Roodt, A.; Preston, H. | Structure of carbonyl(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)(triphenylphosphine)rhodium(I) | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1961 | 1963 | 10.1107/S0108270191002512 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Basson, S. S.; Leipoldt, J. G.; Roodt, A.; Preston, H.
Structure of carbonyl(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)(triphenylphosphine)rhodium(I)
Acta Crystallographica Section C
47(9)
(1991)
1961-1963 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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7,205,898 | 7.7123 | 0.0002 | 28.5057 | 0.0008 | 6.6459 | 0.0002 | 90 | null | 105.05 | 0.002 | 90 | null | 1,410.95 | 0.07 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H12 Cd O8 - | - C15 H12 Cd O8 - | - C60 H48 Cd4 O32 - | 4 | 1 | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K. | Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting. | Physical chemistry chemical physics : PCCP | 2,011 | 13 | 17 | 7622 | 7629 | 10.1039/c0cp01717e | 0.7749 | synchrotron | 0.0288 | 0.0257 | null | null | 0.0676 | 0.0695 | null | null | null | null | null | 1.045 | null | null | has coordinates | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.
Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.
Physical chemistry chemical physics : PCCP
13(17)
(2011)
7622-7629 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
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2,000,257 | 9.97 | 0.004 | 9.9 | 0.002 | 19.79 | 0.01 | 90 | null | 102.09 | null | 90 | null | 1,910 | 1.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C42 H47 Li2 O13 - | - C22 H21 Li O9 - | - C88 H84 Li4 O36 - | 4 | 1 | ST0494 | Sachleben, R. A.; Burns, J. H. | Lithium dibenzo-14-crown-4-acetate–ethanol (2/1) | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1968 | 1969 | 10.1107/S0108270191002858 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sachleben, R. A.; Burns, J. H.
Lithium dibenzo-14-crown-4-acetate–ethanol (2/1)
Acta Crystallographica Section C
47(9)
(1991)
1968-1969 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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2,000,258 | 12.07 | 0.02 | 9.976 | 0.01 | 22.76 | 0.04 | 90 | null | 91.6 | 0.1 | 90 | null | 2,739 | 7 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C28 H40 O4 Sn - | - C28 H40 O4 Sn - | - C112 H160 O16 Sn4 - | 4 | 1 | CR0312 | Garbauskas, M. F.; Wengrovius, J. H. | Structure of dibutanidobis(2,4,6-trimethylbenzoato)tin | Acta Crystallographica Section C | 1,991 | 47 | 9 | 1969 | 1971 | 10.1107/S0108270191002950 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Garbauskas, M. F.; Wengrovius, J. H.
Structure of dibutanidobis(2,4,6-trimethylbenzoato)tin
Acta Crystallographica Section C
47(9)
(1991)
1969-1971 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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#$Revision: 278324 $
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