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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,101,088 | 11.943 | 0.004 | 11.944 | 0.005 | 9.102 | 0.003 | 89.81 | 0.03 | 91.89 | 0.03 | 75.43 | 0.03 | 1,255.9 | 0.8 | 298 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C30 H28 Cu N2 O2 - | - C30 H28 Cu N2 O2 - | - C60 H56 Cu2 N4 O4 - | 2 | 1 | AC6123 | Akitsu, Takashiro; Einaga, Yasuaki | Bis[2-(phenethyliminomethyl)phenolato-κ^2^N,O]copper(II) | Acta Crystallographica, Section E: Structure Reports Online | 2,004 | 60 | 11 | m1555 | m1557 | 10.1107/S1600536804023736 | 0.7107 | MoKα | null | 0.0333 | null | null | null | 0.1041 | null | null | null | null | null | 1.01 | 2,204,424 | null | has coordinates | Akitsu, Takashiro; Einaga, Yasuaki
Bis[2-(phenethyliminomethyl)phenolato-κ^2^N,O]copper(II)
Acta Crystallographica, Section E: Structure Reports Online
60(11)
(2004)
m1555-m1557 | 277,831 | 2022-09-14 | 14:31:32 | #------------------------------------------------------------------------------
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1,101,089 | 11.4188 | 0.0011 | 10.5354 | 0.0012 | 14.2058 | 0.0013 | 90 | null | 97.179 | 0.008 | 90 | null | 1,695.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C12 H12 Cl2 N8 O V - | - C12 H12 Cl2 N8 O V - | - C48 H48 Cl8 N32 O4 V4 - | 4 | 1 | Juan Cancela; María J. González Garmendia; Miguel Quirós | Inorganica Chimica Acta | 2,001 | 313 | 156 | 159 | 10.1016/S0020-1693(00)00373-X | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Juan Cancela; María J. González Garmendia; Miguel Quirós
Inorganica Chimica Acta
313
(2001)
156-159 | 176,729 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,090 | 28.836 | 0.003 | 3.6902 | 0.0002 | 12.116 | 0.001 | 90 | null | 109.763 | 0.003 | 90 | null | 1,213.3 | 0.5 | 253 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C5 H5 N4 O1.5 - | - C5 H5 N4 O1.25 - | - C40 H40 N32 O10 - | 8 | 1 | Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure | 5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study | Journal of Molecular Structure | 2,000 | 519 | 165 | 172 | 10.1016/S0022-2860(99)00303-8 | null | null | 0.036 | null | null | 0.037 | null | null | null | null | null | null | null | null | null | has coordinates | Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure
5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study
Journal of Molecular Structure
519
(2000)
165-172 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,091 | 9.3138 | 0.0008 | 10.1641 | 0.0008 | 18.0633 | 0.0015 | 90 | null | 90 | null | 90 | null | 1,710 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C18 H22 Cr O3 - | - C18 H22 Cr O3 - | - C72 H88 Cr4 O12 - | 4 | 1 | Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós | (η^6^-Arylhimachalene)tricarbonylchromium(0) | Acta Crystallographica Section C | 1,999 | 55 | 3 | 361 | 363 | 10.1107/S0108270198012876 | null | null | 0.0858 | null | null | 0.089 | null | null | null | null | null | null | null | 2,008,277 | null | has coordinates | Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós
(η^6^-Arylhimachalene)tricarbonylchromium(0)
Acta Crystallographica Section C
55(3)
(1999)
361-363 | 174,623 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,092 | 7.2653 | 0.0005 | 7.9452 | 0.0006 | 12.5441 | 0.001 | 84.702 | 0.006 | 75.186 | 0.006 | 78.932 | 0.005 | 686.3 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H13 Cd Cl2 N5 O4 - | - C8 H13 Cd Cl2 N5 O4 - | - C16 H26 Cd2 Cl4 N10 O8 - | 2 | 1 | Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós | Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV | Journal of the Chemical Society, Dalton Transactions | 1,999 | null | 167 | 173 | null | null | 0.022 | null | null | 0.058 | null | null | null | null | null | null | null | null | null | has coordinates | Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós
Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV
Journal of the Che... | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,110 | 9.3651 | 0.0005 | 15.2293 | 0.0007 | 9.9392 | 0.0005 | 90 | null | 98.296 | 0.004 | 90 | null | 1,402.73 | 0.12 | 170 | 2 | 170 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C22 H33 Cl2 N7 O8 Zn - | - C22 H33 Cl2 N7 O8 Zn - | - C44 H66 Cl4 N14 O16 Zn2 - | 2 | 1 | Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël | trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 17 | 4514 | 4526 | 10.1039/c0dt01191f | x-ray | 0.71073 | MoKα | 0.023 | 0.0226 | null | null | 0.058 | 0.0583 | null | null | null | null | null | 1.083 | null | null | has coordinates,has disorder | Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël
trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).
Dalton transactions (Cambridge, England : 2003)
40(17)
(2011)
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1,101,093 | 9.7368 | 0.0008 | 12.3461 | 0.0011 | 17.1837 | 0.0014 | 78.372 | 0.006 | 74.585 | 0.006 | 71.113 | 0.005 | 1,869 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C34 H42 Co N12 O8 - | - C34 H42 Co N12 O8 - | - C68 H84 Co2 N24 O16 - | 2 | 1 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone | Journal of Chemical Crystallography | 1,999 | 29 | 283 | 286 | 10.1023/A:1009565600126 | null | null | 0.0446 | null | null | 0.114 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone
Journal of Chemical Crystallography
29
(1999)
283-286 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,094 | 13.4973 | 0.0009 | 7.4289 | 0.0005 | 12.1669 | 0.0008 | 90 | null | 109.511 | 0.001 | 90 | null | 1,149.92 | 0.13 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - B Cl2 Co F4 H18 N6 - | - B Cl2 Co F4 H18 N6 - | - B4 Cl8 Co4 F16 H72 N24 - | 4 | 1 | Raj Pal Sharma; Ritu Bala; Rajni Sharma; Paloth Venugopalan; Juan M. Salas; Miguel Quirós | Second sphere coordination in anion binding: Synthesis, spectroscopic characterization and single crystal X-ray structure determination of hexaamminecobalt(III) dichloride tetrafluoroborate | Journal of Fluorine Chemistry | 2,005 | 126 | 1543 | 1548 | 10.1016/j.jfluchem.2005.09.002 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Raj Pal Sharma; Ritu Bala; Rajni Sharma; Paloth Venugopalan; Juan M. Salas; Miguel Quirós
Second sphere coordination in anion binding: Synthesis, spectroscopic characterization and single crystal X-ray structure determination of hexaamminecobalt(III) dichloride tetrafluoroborate
Journal of Fluorine Chemistry
126
(2005)... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,095 | 6.9193 | 0.0007 | 11.8361 | 0.0008 | 15.259 | 0.002 | 90 | null | 97.482 | 0.01 | 90 | null | 1,239 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H11 Cu N7 O5 - | - C8 H11 Cu N7 O5 - | - C32 H44 Cu4 N28 O20 - | 4 | 1 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine | Polyhedron | 1,999 | 18 | 351 | 360 | 10.1016/S0277-5387(98)00303-9 | null | null | 0.0347 | null | null | 0.0971 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine
Poly... | 176,729 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,109 | 12.176 | 0.0005 | 13.3778 | 0.0006 | 15.4238 | 0.0006 | 90 | null | 93.146 | 0.004 | 90 | null | 2,508.57 | 0.18 | 170 | 2 | 170 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C20 H30 Cl2 Cu N6 O8 - | - C20 H30 Cl2 Cu N6 O8 - | - C80 H120 Cl8 Cu4 N24 O32 - | 4 | 1 | Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël | trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 17 | 4514 | 4526 | 10.1039/c0dt01191f | x-ray | 0.71073 | MoKα | 0.0558 | 0.0414 | null | null | 0.1041 | 0.1089 | null | null | null | null | null | 1.126 | null | null | has coordinates | Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël
trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).
Dalton transactions (Cambridge, England : 2003)
40(17)
(2011)
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1,101,096 | 5.291 | 0.0005 | 12.0171 | 0.0009 | 21.792 | 0.002 | 90 | null | 93.981 | 0.009 | 90 | null | 1,382.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C9 H14 Cu N6 O6 - | - C9 H14 Cu N6 O6 - | - C36 H56 Cu4 N24 O24 - | 4 | 1 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine | Polyhedron | 1,999 | 18 | 351 | 360 | 10.1016/S0277-5387(98)00303-9 | null | null | 0.0808 | null | null | 0.1241 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine
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1,101,097 | 7.783 | 0.001 | 8.0754 | 0.0009 | 10.252 | 0.002 | 99.326 | 0.012 | 103.785 | 0.013 | 118.47 | 0.009 | 520.67 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C16 H20 Cl2 Cu N8 O6 - | - C16 H20 Cl2 Cu N8 O6 - | - C16 H20 Cl2 Cu N8 O6 - | 1 | 0.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on new M^II^X~2~L~2~ dihalocomplexes of 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of the monodimensionally hydrogen-bonded dichloro-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) dihydrate | Polyhedron | 1,999 | 18 | 85 | 91 | 10.1016/S0277-5387(98)00270-8 | null | null | 0.0692 | null | null | 0.1578 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on new M^II^X~2~L~2~ dihalocomplexes of 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of the monodimensionally hydrogen-bonded dichloro-bis(1,3-dimethylpter... | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,098 | 39.54 | 0.05 | 8.72 | 0.01 | 22.89 | 0.03 | 90 | null | 95.26 | 0.1 | 90 | null | 7,859 | 17 | 293 | 2 | 293 | 2 | null | null | 101.3 | null | 4 | C 1 2 1 | C 2y | 5 | 3',5'-di-O-acetyl-N(4)-hydroxy-2'-deoxycytidine | - C65 H85 N15 O35 - | - C65 H85 N15 O35 - | - C260 H340 N60 O140 - | 4 | 1 | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech | Struct. Chem. | 2,005 | null | 541 | 549 | 10.1007/s11224-005-6058-9 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech
Struct. Chem.
16 (5)
(2005)
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7,015,108 | 9.3783 | 0.0004 | 15.2216 | 0.0006 | 9.916 | 0.0004 | 90 | null | 98.367 | 0.004 | 90 | null | 1,400.47 | 0.1 | 170 | 2 | 170 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C22 H33 Cl2 Co N7 O8 - | - C22 H33 Cl2 Co N7 O8 - | - C44 H66 Cl4 Co2 N14 O16 - | 2 | 1 | Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël | trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 17 | 4514 | 4526 | 10.1039/c0dt01191f | 0.71073 | MoKα | 0.0272 | 0.0265 | null | null | 0.0664 | 0.0671 | null | null | null | null | null | 1.043 | null | null | has coordinates | Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël
trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).
Dalton transactions (Cambridge, England : 2003)
40(17)
(2011)
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1,101,099 | 21.72 | 0.03 | 8.72 | 0.01 | 8.61 | 0.01 | 90 | null | 90.42 | 0.1 | 90 | null | 1,631 | 3 | 293 | 2 | 293 | 2 | null | null | 101.3 | null | 5 | C 1 2 1 | C 2y | 5 | 3',5'-di-O-acetyl-N(4)-hydroxy-5-fluoro-2'-deoxycytidine | - C13 H16 F N3 O7 - | - C13 H16 F N3 O7 - | - C52 H64 F4 N12 O28 - | 4 | 1 | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech | Struct. Chem. | 2,005 | null | 541 | 549 | 10.1007/s11224-005-6058-9 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech
Struct. Chem.
16 (5)
(2005)
541-549 | 201,954 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,100 | 12.925 | 0.003 | 6.367 | 0.001 | 16.628 | 0.003 | 90 | null | 98.07 | 0.02 | 90 | null | 1,354.8 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | - C15 H24 O2 - | - C15 H24 O2 - | - C60 H96 O8 - | 4 | 1 | Alejandro F. Barrero; María M. Herrador; Ramón J. Álvarez-Manzaneda; Miguel Quirós; Armando Lara; José Quílez del Moral | Longipinene derivatives from Santolina Viscosa | Journal of Natural Products | 2,000 | 63 | 587 | 591 | 10.1021/np9904206 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Alejandro F. Barrero; María M. Herrador; Ramón J. Álvarez-Manzaneda; Miguel Quirós; Armando Lara; José Quílez del Moral
Longipinene derivatives from Santolina Viscosa
Journal of Natural Products
63
(2000)
587-591 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,101 | 17.397 | 0.0005 | 8.81986 | 0.00023 | 4.90794 | 0.00012 | 90 | null | 90 | null | 90 | null | 753.07 | 0.05 | null | null | null | null | null | null | null | null | 3 | P b a m | null | - O5 P V - | - O10 P2 V2 - | - O40 P8 V8 - | 4 | 0.5 | Richard Harlow; Zhigang Li; Normal Herron; Harold Horowitz; Eugene McCarron; James Richardson; Brian Toby | The Crystal Structure of the Gamma Phase of Vanadyl Phosphate, gamma-VOPO4, Solved and Refined Using Both Synchrotron and Neutron Powder Diffraction Data | unpublished | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Richard Harlow; Zhigang Li; Normal Herron; Harold Horowitz; Eugene McCarron; James Richardson; Brian Toby
The Crystal Structure of the Gamma Phase of Vanadyl Phosphate, gamma-VOPO4, Solved and Refined Using Both Synchrotron and Neutron Powder Diffraction Data
unpublished
()
| 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,102 | 7.7878 | 0.0007 | 8.6616 | 0.0006 | 10.9133 | 0.001 | 97.841 | 0.007 | 106.91 | 0.007 | 94.22 | 0.006 | 692.74 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H13 Cl2 N5 O4 Zn - | - C8 H13 Cl2 N5 O4 Zn - | - C16 H26 Cl4 N10 O8 Zn2 - | 2 | 1 | Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós | Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV | Journal of the Chemical Society, Dalton Transactions | 1,999 | null | 167 | 173 | null | null | 0.0327 | null | null | 0.0873 | null | null | null | null | null | null | null | null | null | has coordinates | Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós
Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV
Journal of the Che... | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,107 | 14.7016 | 0.0017 | 20.676 | 0.002 | 26.029 | 0.003 | 90 | null | 90.506 | 0.002 | 90 | null | 7,911.7 | 1.5 | 213 | 2 | 213 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C37 H46 Cl3 N5 O2 Si Zr - | - C37 H46 Cl3 N5 O2 Si Zr - | - C296 H368 Cl24 N40 O16 Si8 Zr8 - | 8 | 2 | Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng | A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 16 | 4236 | 4241 | 10.1039/c0dt01177k | 0.71073 | MoKα | 0.1053 | 0.0737 | null | null | 0.1438 | 0.1561 | null | null | null | null | null | 1.129 | null | null | has coordinates | Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng
A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex.
Dalton transactions (Cambridge, England : 2003)
40(16)
(2011)
4236-4241 | 179,855 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,103 | 12.6672 | 0.0008 | 15.134 | 0.0012 | 12.8273 | 0.0011 | 90 | null | 111.077 | 0.005 | 90 | null | 2,294.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C32 H52 Cl2 N20 Ni O16 - | - C32 H52 Cl2 N20 Ni O16 - | - C64 H104 Cl4 N40 Ni2 O32 - | 2 | 0.5 | Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós | Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV | Journal of the Chemical Society, Dalton Transactions | 1,999 | null | 167 | 173 | null | null | 0.0383 | null | null | 0.0973 | null | null | null | null | null | null | null | null | null | has coordinates | Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós
Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV
Journal of the Che... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,104 | 7.804 | 0.0003 | 7.9946 | 0.0003 | 8.987 | 0.0003 | 106.331 | 0.003 | 108.534 | 0.003 | 105.041 | 0.003 | 471.17 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H12 N10 Ni O4 S2 - | - C12 H12 N10 Ni O4 S2 - | - C12 H12 N10 Ni O4 S2 - | 1 | 0.5 | Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas | Diaquabis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidin-5-one-N^3^) bis-(thyocianato)nickel(II) | Acta Crystallographica, Section C | 2,000 | 56 | 934 | 935 | 10.1107/S0108270100007198 | null | null | 0.0376 | null | null | 0.0971 | null | null | null | null | null | null | null | 2,011,228 | null | has coordinates | Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas
Diaquabis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidin-5-one-N^3^) bis-(thyocianato)nickel(II)
Acta Crystallographica, Section C
56
(2000)
934-935 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,105 | 7.152 | 0.001 | 8.83 | 0.001 | 13.783 | 0.001 | 82.024 | 0.001 | 86.155 | 0.001 | 70.9 | 0.001 | 814.3 | 0.2 | 293 | null | null | null | null | null | null | null | 5 | P 1 | P 1 | 1 | - C20 H42 N8 Ni O22 - | - C20 H42 N8 Ni O22 - | - C20 H42 N8 Ni O22 - | 1 | 1 | Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure | X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate | Journal of Chemical Crystallography | 1,999 | 29 | 1009 | 1013 | 10.1023/A:1009568616134 | null | null | 0.0309 | null | null | 0.0808 | null | null | null | null | null | null | null | null | null | has coordinates | Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure
X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate
Journal of Chemical Crystallography
29
(1999)
1009-1013 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,106 | 7.3518 | 0.0008 | 21.308 | 0.002 | 11.0976 | 0.0012 | 90 | null | 99.245 | 0.008 | 90 | null | 1,715.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H16 N6 O6 Zn - | - C14 H16 N6 O6 Zn - | - C56 H64 N24 O24 Zn4 - | 4 | 1 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine | Polyhedron | 1,999 | 18 | 351 | 360 | 10.1016/S0277-5387(98)00303-9 | null | null | 0.0621 | null | null | 0.1572 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine
Poly... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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7,015,106 | 10.66 | 0.004 | 11.667 | 0.006 | 12.924 | 0.007 | 115.39 | 0.04 | 97.71 | 0.03 | 105.45 | 0.04 | 1,341.5 | 1.3 | 213 | 2 | 213 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C58 H60 Li2 N10 Si2 - | - C58 H60 Li2 N10 Si2 - | - C58 H60 Li2 N10 Si2 - | 1 | 0.5 | Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng | A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 16 | 4236 | 4241 | 10.1039/c0dt01177k | 0.71073 | MoKα | 0.0823 | 0.0705 | null | null | 0.1624 | 0.1697 | null | null | null | null | null | 1.181 | null | null | has coordinates | Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng
A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex.
Dalton transactions (Cambridge, England : 2003)
40(16)
(2011)
4236-4241 | 301,847 | 2025-08-21 | 11:39:33 | #------------------------------------------------------------------------------
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1,101,107 | 8.749 | 0.001 | 14.213 | 0.001 | 21.2 | 0.002 | 90 | null | 90 | null | 90 | null | 2,636.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H22 Cl2 Cu N8 O15 - | - C16 H22 Cl2 Cu N8 O15 - | - C64 H88 Cl8 Cu4 N32 O60 - | 4 | 1 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate | Journal of Chemical Crystallography | 1,999 | 29 | 5 | 571 | 574 | 10.1023/A:1009548803103 | null | null | 0.0471 | null | null | 0.1263 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate
Journal of Chemical Crystallography
29(5)
(1999)
571-574 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,108 | 23.522 | 0.003 | 13.6089 | 0.001 | 22.327 | 0.002 | 90 | null | 112.478 | 0.006 | 90 | null | 6,604 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C70 H54 Cl2 Cu2 N12 O14 - | - C70 H54 Cl2 Cu2 N12 O14 - | - C280 H216 Cl8 Cu8 N48 O56 - | 4 | 0.5 | José M. Seco; Miguel Quirós; María J. González Garmendia | Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand | Polyhedron | 2,000 | 19 | 1005 | 1013 | 10.1016/S0277-5387(00)00356-9 | null | null | 0.0496 | null | null | 0.1402 | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | José M. Seco; Miguel Quirós; María J. González Garmendia
Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand
Polyhedron
19
(2000)
1005-1013 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,109 | 25.197 | 0.002 | 14.495 | 0.002 | 29.659 | 0.003 | 90 | null | 115.55 | 0.01 | 90 | null | 9,773.1 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C44 H39 Cu2 F12 N8 O4.5 P2 - | - C44 H39 Cu2 F12 N8 O4.5 P2 - | - C352 H312 Cu16 F96 N64 O36 P16 - | 8 | 2 | José M. Seco; Miguel Quirós; María J. González Garmendia | Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand | Polyhedron | 2,000 | 19 | 1005 | 1013 | 10.1016/S0277-5387(00)00356-9 | null | null | 0.1003 | null | null | 0.218 | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | José M. Seco; Miguel Quirós; María J. González Garmendia
Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand
Polyhedron
19
(2000)
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7,015,105 | 11.089 | 0.003 | 12.471 | 0.003 | 17.197 | 0.004 | 81.586 | 0.004 | 75.624 | 0.004 | 67.478 | 0.004 | 2,124.5 | 0.9 | 213 | 2 | 213 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C38 H60 Li2 N6 O2 Si2 - | - C38 H60 Li2 N6 O2 Si2 - | - C76 H120 Li4 N12 O4 Si4 - | 2 | 1 | Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng | A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 16 | 4236 | 4241 | 10.1039/c0dt01177k | 0.71073 | MoKα | 0.1344 | 0.0754 | null | null | 0.1268 | 0.1462 | null | null | null | null | null | 0.991 | null | null | has coordinates,has disorder | Tong, Hong-Bo; Li, Min; Bai, Sheng-Di; Yuan, Shi-Fang; Chao, Jian-Bin; Huang, Shuping; Liu, Dian-Sheng
A bulky silyl shift-directed synthesis of a silyl-linked amidinate-amidine and its Zr(IV) complex.
Dalton transactions (Cambridge, England : 2003)
40(16)
(2011)
4236-4241 | 301,847 | 2025-08-21 | 11:39:33 | #------------------------------------------------------------------------------
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1,101,110 | 54.836 | 0.008 | 15.923 | 0.001 | 12.299 | 0.001 | 90 | null | 94.382 | 0.009 | 90 | null | 10,707.5 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C36 H24 Cu F12 N6 P2 - | - C36 H24 Cu F12 N6 P2 - | - C432 H288 Cu12 F144 N72 P24 - | 12 | 1.5 | José M. Seco; Miguel Quirós; María J. González Garmendia | Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand | Polyhedron | 2,000 | 19 | 1005 | 1013 | 10.1016/S0277-5387(00)00356-9 | null | null | 0.0883 | null | null | 0.2557 | null | null | null | null | null | null | null | null | null | has coordinates | José M. Seco; Miguel Quirós; María J. González Garmendia
Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand
Polyhedron
19
(2000)
1005-1013 | 176,729 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,111 | 10.3328 | 0.0003 | 6.0043 | 0.0002 | 4.6977 | 0.0002 | 90 | null | 90 | null | 90 | null | 291.45 | null | null | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Lithium Iron Phosphate(V) | - Fe Li O4 P - | - Fe Li O4 P - | - Fe4 Li4 O16 P4 - | 4 | 0.5 | MAUD software | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | MAUD software
()
| 278,244 | 2022-09-28 | 13:56:21 | #------------------------------------------------------------------------------
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1,101,112 | 8.2107 | 0.0003 | 9.3093 | 0.0004 | 26.8707 | 0.0009 | 90 | null | 90 | null | 90 | null | 2,053.89 | 0.13 | 295 | 1 | 295 | 1 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C21 H30 Cl2 N2 Ru - | - C21 H30 Cl2 N2 Ru - | - C84 H120 Cl8 N8 Ru4 - | 4 | 1 | Mustapha Aitali; Larbi El Firdoussi; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós | A ruthenium(II) complex with p-cymene and (S)-2-(anilinomethyl)pyrrolidine | Acta Crystallographica, Section C | 2,000 | 56 | 1088 | 1089 | 10.1107/S0108270100008787 | null | null | null | null | null | null | null | null | null | null | null | null | null | 2,011,325 | null | has coordinates | Mustapha Aitali; Larbi El Firdoussi; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós
A ruthenium(II) complex with p-cymene and (S)-2-(anilinomethyl)pyrrolidine
Acta Crystallographica, Section C
56
(2000)
1088-1089 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,113 | 4.827522 | 0.000018 | 4.827522 | null | 24.40002 | 0.00013 | 90 | null | 90 | null | 120 | null | 492.458 | null | 295 | null | 295 | null | null | null | null | null | 5 | R -3 :H | -R 3 | 148 | Iron Ammonium Sulfate | - Fe H4 N O8 S2 - | - Fe H4.948 N1.237 O8 S2 - | - Fe3 H14.844 N3.711 O24 S6 - | 3 | 0.166667 | Richard L. Harlow; John M. Novak | Unpublished | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Richard L. Harlow; John M. Novak
Unpublished
()
| 208,365 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,114 | 12.28 | 0.002 | 27.44 | 0.002 | 15.13 | 0.002 | 90 | null | 100.82 | 0.02 | 90 | null | 5,007.6 | 1.2 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C56 H48 Cu2 I2 N4 - | - C56 H48 Cu2 I2 N4 - | - C224 H192 Cu8 I8 N16 - | 4 | 1 | Kia, Reza; Mirkhani, Valiollah; Harkema, Sybolt; van Hummel, Gerrit J. | Synthesis and characterization of the 1:1 adducts of copper(I) halides with bidentate N,N'-bis(benzophenone)-1,2-diiminoethane Schiff base: Crystal structures of [Cu(bz2en)2][CuX2] (X = Br, I) complexes | Inorganica Chimica Acta | 2,007 | 360 | 10 | 3369 | 3375 | 10.5517/ccngnf5 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kia, Reza; Mirkhani, Valiollah; Harkema, Sybolt; van Hummel, Gerrit J.
Synthesis and characterization of the 1:1 adducts of copper(I) halides with bidentate N,N'-bis(benzophenone)-1,2-diiminoethane Schiff base: Crystal structures of [Cu(bz2en)2][CuX2] (X = Br, I) complexes
Inorganica Chimica Acta
360(10)
(2007)
3369-33... | 176,428 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,115 | 8.128 | 0.003 | 8.824 | 0.003 | 9.993 | 0.003 | 115.05 | 0.02 | 101.83 | 0.03 | 91.75 | 0.02 | 630 | 0.4 | 293 | null | 293 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C7 H13 Ag N4 O6 S - | - C7 H8 Ag N4 O6 S - | - C14 H16 Ag2 N8 O12 S2 - | 2 | 1 | Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós | Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal | Anales de Quimica, International Edition | 1,996 | 92 | 249 | 254 | null | null | 0.045 | null | null | 0.047 | null | null | null | null | null | null | null | null | null | has coordinates | Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós
Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal
Anales de Quimica, International Edition
92
(1996)
249-254 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,116 | 5.3361 | 0.0001 | 9.8298 | 0.0002 | 7.3271 | 0.0001 | 90 | null | 109.911 | 0.001 | 90 | null | 361.4 | 0.1 | null | null | null | null | null | null | null | null | Synthetic | 3 | P 1 21/c 1 | -P 2ybc | 14 | Calcium Pentafluoroaluminate | - Al Ca F5 - | - Al Ca F5 - | - Al4 Ca4 F20 - | 4 | 1 | Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P. | Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations | Journal of Solid State Chemistry | 2,005 | 178 | 12 | 3655 | 3643 | 10.1016/j.jssc.2005.09.021 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P.
Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations
Journal of Solid State Chemistry
178(12)
(2005)
3655-3643 | 282,068 | 2023-03-26 | 10:11:44 | #------------------------------------------------------------------------------
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7,015,104 | 7.9223 | 0.0015 | 14.721 | 0.003 | 15.965 | 0.003 | 90 | null | 102.897 | 0.003 | 90 | null | 1,814.9 | 0.6 | 223 | 2 | 223 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H19 Cd N5 O9 S - | - C12 H19 Cd N5 O9 S - | - C48 H76 Cd4 N20 O36 S4 - | 4 | 1 | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing | Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2805 | 2814 | 10.1039/c0dt01174f | 0.71075 | MoKα | 0.0373 | 0.031 | null | null | 0.0614 | 0.0639 | null | null | null | null | null | 1.095 | null | null | has coordinates | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing
Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).
Dalton transactions (C... | 179,855 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,117 | 8.5689 | 0.0004 | 18.5279 | 0.0009 | 8.6209 | 0.0003 | 90 | null | 106.894 | 0.003 | 90 | null | 1,309.62 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H24 Cd N10 O10 - | - C20 H24 Cd N10 O10 - | - C40 H48 Cd2 N20 O20 - | 2 | 0.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry | Inorganica Chimica Acta | 1,998 | 277 | 103 | 110 | 10.1016/S0020-1693(97)06134-3 | null | null | 0.0299 | null | null | 0.0795 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded compl... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,118 | 14.4479 | 0.0009 | 22.195 | 0.002 | 17.12 | 0.0011 | 90 | null | 97.126 | 0.005 | 90 | null | 5,447.5 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C42 H55 Cd Cl2 N18 O18.5 - | - C42 H50 Cd Cl2 N18 O18.5 - | - C168 H200 Cd4 Cl8 N72 O74 - | 4 | 1 | Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero | Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA | JBIC Journal of Biological Inorganic Chemistry | 2,005 | 10 | 8 | 924 | 934 | 10.1007/s00775-005-0045-x | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero
Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA
JBIC Journal... | 176,429 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,119 | 7.859 | 0.001 | 11.811 | 0.002 | 12.986 | 0.002 | 73.69 | 0.01 | 84.53 | 0.01 | 85.8 | 0.01 | 1,150.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H22 N12 O10 Pt - | - C12 H20 N12 O10 Pt - | - C24 H40 N24 O20 Pt2 - | 2 | 1 | Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós | Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands | Inorganic Chemistry | 1,997 | 36 | 3277 | 3283 | 10.1021/ic9609214 | null | null | 0.0502 | null | null | 0.1372 | null | null | null | null | null | null | null | null | null | has coordinates | Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós
Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands
Inorganic Chemistry
36
(1997)
3277-3283 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,103 | 14.9 | 0.003 | 7.6852 | 0.0014 | 23.142 | 0.005 | 90 | null | 90 | null | 90 | null | 2,650 | 0.9 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C12 H8 Cl N5 Zn - | - C12 H8 Cl N5 Zn - | - C96 H64 Cl8 N40 Zn8 - | 8 | 1 | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing | Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2805 | 2814 | 10.1039/c0dt01174f | 0.71075 | MoKα | 0.0607 | 0.0496 | null | null | 0.1126 | 0.1199 | null | null | null | null | null | 1.052 | null | null | has coordinates | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing
Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).
Dalton transactions (C... | 179,855 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,120 | 10.65 | 0.001 | 13.895 | 0.001 | 13.892 | 0.001 | 90 | null | 99.55 | 0.01 | 90 | null | 2,027 | 1 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C15 H18 Co N3 O12 - | - C15 H18 Co N3 O12 - | - C60 H72 Co4 N12 O48 - | 4 | 1 | Raj P. Sharma; Vijay Gupta; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas | Structural analogues of ferroverdin: Synthesis and X-ray structural study of tris(isonitrosomethylacetoacetato) cobalt(III) | Acta Crystallographica, Section C | 1,994 | 50 | 1878 | 1880 | 10.1107/S0108270194003987 | null | null | 0.056 | null | null | 0.084 | null | null | null | null | null | null | null | 2,010,323 | null | has coordinates | Raj P. Sharma; Vijay Gupta; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas
Structural analogues of ferroverdin: Synthesis and X-ray structural study of tris(isonitrosomethylacetoacetato) cobalt(III)
Acta Crystallographica, Section C
50
(1994)
1878-1880 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
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1,101,121 | 24.778 | 0.002 | 30.457 | 0.002 | 6.5364 | 0.0005 | 90 | null | 90 | null | 90 | null | 4,932.8 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | F d d 2 | F 2 -2d | 43 | - C8 H32 Co2 Cr2 N12 O15 - | - C8 H32 Co2 Cr2 N12 O15 - | - C64 H256 Co16 Cr16 N96 O120 - | 8 | 0.5 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós | Synthesis, spectroscopic characterisation and X-ray structure of trans-[Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~) | Journal of Chemical Cristallography | 2,005 | 35 | 10 | 769 | 775 | 10.1007/s10870-005-3886-9 | null | null | null | null | null | null | null | null | null | null | null | null | null | 1,500,012 | null | has coordinates | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós
Synthesis, spectroscopic characterisation and X-ray structure of trans-[Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)
Journal of Chemical Cristallography
35(10)
(2005)
769-775 | 174,850 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,122 | 8.746 | 0.001 | 13.584 | 0.002 | 10.997 | 0.001 | 90 | null | 94.89 | 0.01 | 90 | null | 1,301.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H24 Co N10 O14 - | - C16 H24 Co N10 O14 - | - C32 H48 Co2 N20 O28 - | 2 | 0.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry | Inorganica Chimica Acta | 1,998 | 277 | 103 | 110 | 10.1016/S0020-1693(97)06134-3 | null | null | 0.0573 | null | null | 0.1135 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded compl... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,123 | 14.045 | 0.001 | 11.749 | 0.0007 | 19.701 | 0.002 | 90 | null | 90 | null | 90 | null | 3,251 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C10 H16 Cl2 Cu N4 O4 - | - C10 H16 Cl2 Cu N4 O4 - | - C80 H128 Cl16 Cu8 N32 O32 - | 8 | 1 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. | Polyhedron | 1,998 | 17 | 3409 | 3418 | 10.1016/S0277-5387(98)00122-3 | null | null | 0.0415 | null | null | 0.0967 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrat... | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,102 | 6.7324 | 0.0012 | 21.804 | 0.004 | 9.5103 | 0.0018 | 90 | null | 104.592 | 0.003 | 90 | null | 1,351 | 0.4 | 223 | 2 | 223 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H9 Cd N5 O4 S - | - C12 H9 Cd N5 O4 S - | - C48 H36 Cd4 N20 O16 S4 - | 4 | 1 | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing | Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2805 | 2814 | 10.1039/c0dt01174f | 0.71075 | MoKα | 0.0246 | 0.0205 | null | null | 0.047 | 0.0483 | null | null | null | null | null | 1.014 | null | null | has coordinates | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing
Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).
Dalton transactions (C... | 179,855 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,124 | 8.9929 | 0.0007 | 14.0574 | 0.0009 | 11.9242 | 0.0007 | 90 | null | 98.124 | 0.005 | 90 | null | 1,492.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C20 H32 Cu N10 O14 - | - C20 H32 Cu N10 O14 - | - C40 H64 Cu2 N20 O28 - | 2 | 0.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry | Inorganica Chimica Acta | 1,998 | 277 | 103 | 110 | 10.1016/S0020-1693(97)06134-3 | null | null | 0.0389 | null | null | 0.1007 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded compl... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,125 | 8.7639 | 0.0012 | 13.7932 | 0.0008 | 14.7922 | 0.001 | 90 | null | 116.016 | 0.01 | 90 | null | 1,606.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H32 Cl2 Cu N8 O16 - | - C20 H32 Cl2 Cu N8 O16 - | - C40 H64 Cl4 Cu2 N16 O32 - | 2 | 0.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on three-dimensionally hydrogen-bonded metal perchlorate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of diaqua-bis(1,3,6,7-tetramethyl- pteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) perchlorate dihydrate. | Inorganica Chimica Acta | 1,998 | 268 | 77 | 83 | 10.1016/S0020-1693(97)05722-8 | null | null | 0.0584 | null | null | 0.1711 | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on three-dimensionally hydrogen-bonded metal perchlorate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of diaqua-bis(1,3,6,7-tetramethyl- pte... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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7,015,101 | 13.2947 | 0.0013 | 17.473 | 0.0018 | 16.5991 | 0.0018 | 90 | null | 95.015 | 0.003 | 90 | null | 3,841.2 | 0.7 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C24 H42 N10 O20 S2 Zn2 - | - C24 H38 N10 O19.99 S2 Zn2 - | - C96 H152 N40 O79.96 S8 Zn8 - | 4 | 1 | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing | Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2805 | 2814 | 10.1039/c0dt01174f | 0.71075 | MoKα | 0.058 | 0.0524 | null | null | 0.1307 | 0.1347 | null | null | null | null | null | 1.103 | null | null | has coordinates,has disorder | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing
Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).
Dalton transactions (C... | 179,855 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,126 | 10.679 | 0.002 | 5.814 | 0.001 | 13.794 | 0.003 | 90 | null | 97.31 | 0.03 | 90 | null | 849.5 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C6 H9 N5 O3 - | - C6 H9 N5 O3 - | - C24 H36 N20 O12 - | 4 | 1 | M. Purificación Sánchez; M. Angustias Romero; Juan M. Salas; Diego J. Cárdenas; José Molina; Miguel Quirós | Molecular orbital study of 8-azaxanthine derivatives and crystal structure of 1,3-dimethyl-8-azaxanthine monohydrate | Journal of Molecular Structure | 1,995 | 344 | 257 | 264 | 10.1016/0022-2860(94)08436-L | null | null | 0.081 | null | null | 0.035 | null | null | null | null | null | null | null | null | null | has coordinates | M. Purificación Sánchez; M. Angustias Romero; Juan M. Salas; Diego J. Cárdenas; José Molina; Miguel Quirós
Molecular orbital study of 8-azaxanthine derivatives and crystal structure of 1,3-dimethyl-8-azaxanthine monohydrate
Journal of Molecular Structure
344
(1995)
257-264 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,127 | 8.0064 | 0.0006 | 9.3736 | 0.0006 | 10.6279 | 0.0005 | 71.414 | 0.007 | 81.536 | 0.006 | 70.904 | 0.008 | 713.59 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C10 H12 Cl2 Hg N4 O2 - | - C10 H12 Cl2 Hg N4 O2 - | - C20 H24 Cl4 Hg2 N8 O4 - | 2 | 1 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. | Polyhedron | 1,998 | 17 | 3409 | 3418 | 10.1016/S0277-5387(98)00122-3 | null | null | 0.0436 | null | null | 0.1182 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrat... | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,128 | 13.315 | 0.002 | 8.539 | 0.002 | 13.932 | 0.002 | 90 | null | 108.728 | 0.009 | 90 | null | 1,500.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C10 H12 Cl Hg N5 O5 - | - C10 H12 Cl Hg N5 O5 - | - C40 H48 Cl4 Hg4 N20 O20 - | 4 | 1 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. | Polyhedron | 1,998 | 17 | 3409 | 3418 | 10.1016/S0277-5387(98)00122-3 | null | null | 0.0583 | null | null | 0.1418 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrat... | 176,729 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,100 | 12.334 | 0.003 | 7.84 | 0.0016 | 15.597 | 0.004 | 90 | null | 101.62 | 0.005 | 90 | null | 1,477.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C12 H9 Cl2 N5 O Zn2 - | - C12 H9 Cl2 N5 O Zn2 - | - C48 H36 Cl8 N20 O4 Zn8 - | 4 | 0.5 | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing | Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2805 | 2814 | 10.1039/c0dt01174f | 0.7107 | MoKα | 0.0287 | 0.0264 | null | null | 0.0589 | 0.06 | null | null | null | null | null | 1.097 | null | null | has coordinates | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing
Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).
Dalton transactions (C... | 179,855 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,129 | 7.2294 | 0.0007 | 11.54 | 0.001 | 14.67 | 0.002 | 90 | null | 90 | null | 90 | null | 1,223.9 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C12 H14 N2 O3 - | - C12 H14 N2 O3 - | - C48 H56 N8 O12 - | 4 | 1 | Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen | Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone | Journal of Chemical Cristallography | 1,996 | 26 | 6 | 407 | 412 | 10.1007/BF01665820 | null | null | 0.051 | null | null | 0.092 | null | null | null | null | null | null | null | null | null | has coordinates | Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen
Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone
Journal of Chemical Cristallography
26(6)
(1996)
407-412 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,130 | 15.2488 | 0.0012 | 15.238 | 0.0015 | 21.563 | 0.002 | 90 | null | 90 | null | 90 | null | 5,010.5 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P b c a | -P 2ac 2ab | 61 | - C16 H16 Au Br4 N8 Na O4 - | - C16 H16 Au Br4 N8 Na O4 - | - C128 H128 Au8 Br32 N64 Na8 O32 - | 8 | 1 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives | Journal of Chemical Cristallography | 1,998 | 28 | 7 | 565 | 570 | 10.1023/A:1023252324268 | null | null | 0.0533 | null | null | 0.1001 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives
Journal of Chemical Cristallography
28(7)
(1998)
565-570 | 174,850 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,131 | 9.5273 | 0.001 | 9.972 | 0.002 | 11.249 | 0.002 | 94.794 | 0.013 | 100.304 | 0.01 | 91.354 | 0.011 | 1,047 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C17 H30 F N3 O9 - | - C17 H30 F N3 O9 - | - C34 H60 F2 N6 O18 - | 2 | 1 | Iztok Turel; Peter Bukovec; Miguel Quirós | Crystal structure of ciprofloxacin hexahydrate and its characterization | International Journal of Pharmaceutics | 1,997 | 152 | 59 | 65 | 10.1016/S0378-5173(97)04913-2 | null | null | 0.0455 | null | null | 0.1011 | null | null | null | null | null | null | null | null | null | has coordinates | Iztok Turel; Peter Bukovec; Miguel Quirós
Crystal structure of ciprofloxacin hexahydrate and its characterization
International Journal of Pharmaceutics
152
(1997)
59-65 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,132 | 24.30122 | 0.00017 | 20.57261 | 0.00014 | 4.86719 | 0.00003 | 90 | null | 90 | null | 90 | null | 2,433.3 | 0.03 | 293 | null | 295 | null | null | null | null | null | 3 | P 21 21 2 | P 2 2ab | 18 | Gamma Sorbitol | - C6 H14 O6 - | - C6 H14 O6 - | - C72 H168 O72 - | 12 | 3 | Rukiah, Mwaffak; Lefebvre, Jacques; Hernandez, Olivier; van Beek, Wouter; Serpelloni, Michel | Ab initiostructure determination of the Γ form of D-sorbitol (D-glucitol) by powder synchrotron X-ray diffraction | Journal of Applied Crystallography | 2,004 | 37 | 5 | 766 | 772 | 10.1107/s0021889804016206 | null | null | null | null | null | null | null | null | null | null | null | null | null | 2,300,046 | null | has coordinates | Rukiah, Mwaffak; Lefebvre, Jacques; Hernandez, Olivier; van Beek, Wouter; Serpelloni, Michel
Ab initiostructure determination of the Γ form of D-sorbitol (D-glucitol) by powder synchrotron X-ray diffraction
Journal of Applied Crystallography
37(5)
(2004)
766-772 | 277,831 | 2022-09-14 | 14:31:33 | #------------------------------------------------------------------------------
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1,101,133 | 8.148 | 0.003 | 9.104 | 0.002 | 11.854 | 0.003 | 105.37 | 0.01 | 95.31 | 0.02 | 115.17 | 0.01 | 745.8 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C18 H38 N8 Ni O18 - | - C18 H38 N8 Ni O18 - | - C18 H38 N8 Ni O18 - | 1 | 0.5 | Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana | Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion | Polyhedron | 1,995 | 14 | 611 | 616 | 10.1016/0277-5387(94)00279-N | null | null | 0.045 | null | null | 0.042 | null | null | null | null | null | null | null | null | null | has coordinates | Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana
Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion
Polyhedron
14
(1995)
611-616 | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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7,015,099 | 7.293 | 0.007 | 15.308 | 0.013 | 13.087 | 0.009 | 90 | null | 101.46 | 0.03 | 90 | null | 1,432 | 2 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C12 H9 N5 O5 S Zn2 - | - C12 H9 N5 O5 S Zn2 - | - C48 H36 N20 O20 S4 Zn8 - | 4 | 1 | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing | Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4). | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2805 | 2814 | 10.1039/c0dt01174f | 0.7107 | MoKα | 0.0526 | 0.0387 | null | null | 0.0768 | 0.0836 | null | null | null | null | null | 1.112 | null | null | has coordinates | Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing
Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).
Dalton transactions (C... | 179,854 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,134 | 11.076 | 0.001 | 11.045 | 0.002 | 24.728 | 0.002 | 91.19 | 0.01 | 94.5 | 0.01 | 108.67 | 0.01 | 2,853.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 | P 1 | 1 | - C15 H31.75 Cl0.88 K0.88 N3 O8.38 Pd3 S3 - | - C15 H27 Cl0.875 K0.875 N3 O8.375 Pd3 S3 - | - C60 H108 Cl3.5 K3.5 N12 O33.5 Pd12 S12 - | 4 | 4 | G. Cervantes; V. Moreno; E. Molins; Miguel Quirós | Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II) | Polyhedron | 1,998 | 17 | 3343 | 3350 | 10.1016/S0277-5387(98)00114-4 | null | null | 0.0585 | null | null | 0.1454 | null | null | null | null | null | null | null | null | null | has coordinates | G. Cervantes; V. Moreno; E. Molins; Miguel Quirós
Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II)
Polyhedron
17
(1998)
3343-3350 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,135 | 13.752 | 0.001 | 12.5658 | 0.0008 | 19.215 | 0.001 | 90 | null | 118.08 | 0.01 | 90 | null | 2,929.5 | 0.4 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H26 N14 O9 Pd Pt - | - C22 H26 N14 O9 Pd Pt - | - C88 H104 N56 O36 Pd4 Pt4 - | 4 | 1 | Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós | Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands | Inorganic Chemistry | 1,997 | 36 | 3277 | 3283 | 10.1021/ic9609214 | null | null | 0.03 | null | null | 0.04 | null | null | null | null | null | null | null | null | null | has coordinates | Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós
Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands
Inorganic Chemistry
36
(1997)
3277-3283 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,136 | 16.778 | 0.003 | 18.433 | 0.004 | 13.403 | 0.004 | 90 | null | 90 | null | 90 | null | 4,145 | 2 | 293 | null | 293 | null | null | null | null | null | 6 | P b c n | -P 2n 2ab | 60 | - C28 H36 Ag4 N16 O13 S3 - | - C28 H36 Ag4 N16 O13 S3 - | - C112 H144 Ag16 N64 O52 S12 - | 4 | 0.5 | Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós | Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal | Anales de Quimica, International Edition | 1,996 | 92 | 249 | 254 | null | null | 0.064 | null | null | 0.082 | null | null | null | null | null | null | null | null | null | has coordinates | Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós
Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal
Anales de Quimica, International Edition
92
(1996)
249-254 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,098 | 10.022 | 0.003 | 12.041 | 0.004 | 15.252 | 0.004 | 66.845 | 0.014 | 74.01 | 0.016 | 70.156 | 0.013 | 1,570.2 | 0.8 | 150.1 | null | 150.1 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C54 H82 N20 O10 Pt S2 - | - C54 H82 N20 O10 Pt S2 - | - C54 H82 N20 O10 Pt S2 - | 1 | 0.5 | Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako | Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 14 | 3484 | 3489 | 10.1039/c0dt01139h | 0.71075 | MoKα | null | 0.0412 | null | null | null | 0.105 | null | null | null | null | null | 1.042 | null | null | has coordinates | Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako
Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex.
Dalton transactions (Cambridge, England : 2003)
40(14)
(2011)
3484-3489 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,137 | 14.207 | 0.003 | 15.187 | 0.003 | 17.165 | 0.003 | 90 | null | 90 | null | 90 | null | 3,703.5 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c n | -P 2n 2ab | 60 | - C14 H16 N8 O3 Pt S - | - C14 H16 N8 O3 Pt S - | - C112 H128 N64 O24 Pt8 S8 - | 8 | 1 | Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José | Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}} | Inorganic Chemistry | 1,996 | 35 | 26 | 7829 | 7835 | 10.1021/ic960496e | null | null | 0.0933 | null | null | 0.1152 | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José
Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Mode... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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1,101,138 | 8.746 | 0.0008 | 13.874 | 0.001 | 10.678 | 0.001 | 90 | null | 92.64 | 0.01 | 90 | null | 1,294.4 | 0.7 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H24 Cu N10 O14 - | - C16 H24 Cu N10 O14 - | - C32 H48 Cu2 N20 O28 - | 2 | 0.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas | A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate | Polyhedron | 1,997 | 16 | 607 | 612 | 10.1016/0277-5387(96)00318-X | null | null | 0.047 | null | null | 0.088 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate
Polyhe... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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7,015,097 | 6.809 | 0.005 | 12.003 | 0.009 | 12.379 | 0.01 | 97.378 | 0.008 | 103.656 | 0.017 | 94 | 0.011 | 969.7 | 1.3 | 120.1 | null | 120.1 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C17 H21 N7 O3 S2 - | - C17 H21 N7 O3 S2 - | - C34 H42 N14 O6 S4 - | 2 | 1 | Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako | Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 14 | 3484 | 3489 | 10.1039/c0dt01139h | 0.689 | Synchrotron | null | 0.0905 | null | null | null | 0.2767 | null | null | null | null | null | 0.997 | null | null | has coordinates | Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako
Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex.
Dalton transactions (Cambridge, England : 2003)
40(14)
(2011)
3484-3489 | 301,847 | 2025-08-21 | 11:39:33 | #------------------------------------------------------------------------------
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1,101,139 | 24.8727 | 0.0006 | 5.80729 | 0.00017 | 8.7615 | 0.0003 | 90 | null | 100.062 | 0.0017 | 90 | null | 1,246.07 | 0.07 | 150 | 0.5 | 295 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | meta-toluidine | - C7 H9 N - | - C7 H9 N - | - C56 H72 N8 - | 8 | 2 | Lefebvre, Jacques; Descamps, Marc; Hemon, Stephanie; Dzyabchenko, Alexander | Ab initio structure determination of meta-toluidine by powder X-ray diffraction | Journal of Applied Crystallography | 2,004 | 37 | 464 | 471 | 10.1107/S0021889804006478 | null | null | null | null | null | null | null | null | null | null | null | null | null | 2,300,100 | null | has coordinates | Lefebvre, Jacques; Descamps, Marc; Hemon, Stephanie; Dzyabchenko, Alexander
Ab initio structure determination of meta-toluidine by powder X-ray diffraction
Journal of Applied Crystallography
37
(2004)
464-471 | 201,954 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,140 | 8.9054 | 0.0013 | 8.9054 | 0.0013 | 37.978 | 0.008 | 90 | null | 90 | null | 90 | null | 3,011.9 | 0.9 | 293 | 2 | null | null | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | - C30 H50 Cl2 Pd2 - | - C30 H50 Cl2 Pd2 - | - C120 H200 Cl8 Pd8 - | 4 | 0.5 | Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux | Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium | Acta Crystallographica, Section C | 1,997 | 53 | 710 | 712 | 10.1107/S0108270196015557 | null | null | 0.0738 | null | null | 0.153 | null | null | null | null | null | null | null | 2,006,227 | null | has coordinates | Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux
Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium
Acta Crystallographica, Section C
53
(1997)
710-712 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,141 | 13.362 | 0.002 | 13.566 | 0.003 | 22.532 | 0.003 | 90 | null | 90 | null | 90 | null | 4,084.4 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C5 H8 Cu N3 O5.5 - | - C5 H8 Cu N3 O5.5 - | - C80 H128 Cu16 N48 O88 - | 16 | 4 | Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas; René Faure; Gerardo Álvarez de Cienfuegos | Spectral and magnetic properties, and biological activity of several coordination compounds of dinegative isoorotato and 2-thioisoorotato ligands. Crystal structure of the tetrameric complex [Cu~4~(isoorotato^2-^)~4~(NH~3~)~4(H~2~O)~2~].4H~2~O | Inorganica Chimica Acta | 1,996 | 241 | 61 | 69 | 10.1016/0020-1693(95)04741-7 | null | null | 0.0829 | null | null | 0.2212 | null | null | null | null | null | null | null | null | null | has coordinates | Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas; René Faure; Gerardo Álvarez de Cienfuegos
Spectral and magnetic properties, and biological activity of several coordination compounds of dinegative isoorotato and 2-thioisoorotato ligands. Crystal structure of the tetrameric complex [Cu~4~... | 301,773 | 2025-08-18 | 12:42:42 | #------------------------------------------------------------------------------
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7,015,096 | 31.7072 | 0.0015 | 9.652 | 0.0004 | 18.8073 | 0.0009 | 90 | null | 94.419 | 0.002 | 90 | null | 5,738.6 | 0.5 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C27 H25 B I N6 P Ru - | - C27 H25 B I N6 P Ru - | - C216 H200 B8 I8 N48 P8 Ru8 - | 8 | 1 | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen | Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2711 | 2715 | 10.1039/c0dt01091j | 0.71073 | MoKα | 0.0823 | 0.0711 | null | null | 0.2086 | 0.2162 | null | null | null | null | null | 1.101 | null | null | has coordinates | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen
Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.
Dalton transactions (Cambridge, England : 2003)
40(12)
(2011)
2711-2715 | 301,847 | 2025-08-21 | 11:39:33 | #------------------------------------------------------------------------------
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1,101,142 | 6.3589 | 0.0004 | 10.7795 | 0.0006 | 10.3836 | 0.0006 | 90 | null | 90.019 | 0.001 | 90 | null | 711.75 | 0.07 | 150 | 1 | 150 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - F2 Li5 O8 P2 V - | - F2 Li5 O8 P2 V - | - F8 Li20 O32 P8 V4 - | 4 | 1 | Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F. | Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr) | Chemistry of Materials | 2,006 | 18 | 7 | 1745 | 1752 | 10.1021/cm0513738 | 0.71073 | MoKα | 0.0422 | 0.0375 | null | null | 0.0732 | 0.0741 | null | null | null | null | null | 1.683 | null | null | has coordinates | Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.
Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)
Chemistry of Materials
18(7)
(2006)
1745-1752 | 178,242 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,143 | 7.721 | 0.001 | 25.495 | 0.003 | 8.566 | 0.001 | 90 | null | 96.12 | 0.01 | 90 | null | 1,676.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C20 H17 Fe N S - | - C20 H17 Fe N S - | - C80 H68 Fe4 N4 S4 - | 4 | 1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates |
()
| 176,729 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,144 | 29.7553 | 0.0015 | 18.0498 | 0.0009 | 12.2258 | 0.0006 | 90 | null | 111.143 | 0.001 | 90 | null | 6,124.2 | 0.5 | 183 | 2 | 183 | 2 | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | - H64 Mo12 Ni4 O66 - | - Mo12 Ni4 O66 - | - Mo48 Ni16 O264 - | 4 | 0.5 | Achim Müller; Christian Beugholt; Paul Kögerler; Hartmut Bögge; Sergey Bud'ko; Marshall Luban | [MoV12O30(μ2-OH)10H2{NiII(H2O)3}4], a Highly Symmetrical ε-Keggin Unit Capped with Four NiII Centers: Synthesis and Magnetism | Inorganic Chemistry | 2,000 | 39 | 5176 | 5177 | 10.1021/ic0005285 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Achim Müller; Christian Beugholt; Paul Kögerler; Hartmut Bögge; Sergey Bud'ko; Marshall Luban
[MoV12O30(μ2-OH)10H2{NiII(H2O)3}4], a Highly Symmetrical ε-Keggin Unit Capped with Four NiII Centers: Synthesis and Magnetism
Inorganic Chemistry
39
(2000)
5176-5177 | 201,170 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,145 | 12.8081 | 0.0004 | 22.7793 | 0.0008 | 21.5383 | 0.0006 | 90 | null | 93.278 | 0.001 | 90 | null | 6,273.7 | 0.3 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C36 H74 Ga N27 O40 - | - C36 H74 Ga N27 O40 - | - C144 H296 Ga4 N108 O160 - | 4 | 1 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. | Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes | Inorganic Chemistry | 2,005 | 44 | 12 | 4133 | 4135 | 10.1021/ic0502271 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.
Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes
Inorganic Chemistry
44(12)
(2005)
4133-4135 | 209,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,146 | 19.9915 | 0.0002 | 19.9915 | 0.0002 | 18.5028 | 0.0004 | 90 | null | 90 | null | 120 | null | 6,404.1 | 0.2 | null | null | null | null | null | null | null | null | 4 | R -3 :H | -R 3 | 148 | - Ga13 H96 N15 O105 - | - Ga13 H72 N15 O105 - | - Ga39 H216 N45 O315 - | 3 | 0.166667 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. | Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes | Inorganic Chemistry | 2,005 | 44 | 12 | 4133 | 4135 | 10.1021/ic0502271 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.
Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes
Inorganic Chemistry
44(12)
(2005)
4133-4135 | 209,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,095 | 8.2392 | 0.0005 | 11.7901 | 0.0006 | 19.4125 | 0.0013 | 107.116 | 0.004 | 92.05 | 0.004 | 108.142 | 0.003 | 1,695.7 | 0.19 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C35 H32 B Cl N7 P Ru - | - C35 H32 B Cl N7 P Ru - | - C70 H64 B2 Cl2 N14 P2 Ru2 - | 2 | 1 | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen | Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2711 | 2715 | 10.1039/c0dt01091j | 0.71073 | MoKα | 0.0593 | 0.0433 | null | null | 0.1206 | 0.136 | null | null | null | null | null | 0.592 | null | null | has coordinates | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen
Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.
Dalton transactions (Cambridge, England : 2003)
40(12)
(2011)
2711-2715 | 179,854 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,147 | 18.3313 | 0.0006 | 21.136 | 0.0007 | 23.2894 | 0.0008 | 109.424 | 0.001 | 101.987 | 0.001 | 109.635 | 0.001 | 7,478.8 | 0.4 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C123 H311 Ga32 N81 O193 - | - C123 H130 Ga32 N81 O193.12 - | - C123 H130 Ga32 N81 O193.12 - | 1 | 0.5 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. | Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes | Inorganic Chemistry | 2,005 | 44 | 12 | 4133 | 4135 | 10.1021/ic0502271 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.
Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes
Inorganic Chemistry
44(12)
(2005)
4133-4135 | 209,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,148 | 10.68004 | 0.00011 | 11.28574 | 0.00011 | 6.48521 | 0.00006 | 90 | null | 90 | null | 90 | null | 781.68 | 0.02 | 295 | null | 295 | null | null | null | null | null | 4 | A m a 2 | A 2 -2a | 40 | - B3 Ca4 Na O9 - | - B3 Ca4 Na O9 - | - B12 Ca16 Na4 O36 - | 4 | 0.5 | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun | Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr) | Inorganic Chemistry | 2,006 | 45 | 3042 | 3047 | 10.1021/ic051494+ | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun
Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)
Inorganic Chemistry
45
(2006)
3042-3047 | 208,232 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,149 | 10.63455 | 0.0001 | 11.51705 | 0.00011 | 6.51942 | 0.00006 | 90 | null | 90 | null | 90 | null | 798.49 | 0.02 | 295 | null | 295 | null | null | null | null | null | 4 | A m a 2 | A 2 -2a | 40 | - B3 Ca4 K O9 - | - B3 Ca4 K O9 - | - B12 Ca16 K4 O36 - | 4 | 0.5 | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun | Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr) | Inorganic Chemistry | 2,006 | 45 | 3042 | 3047 | 10.1021/ic051494+ | powder diffraction | null | null | null | null | null | null | null | null | 0.0693 | null | null | null | null | null | null | has coordinates | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun
Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)
Inorganic Chemistry
45
(2006)
3042-3047 | 208,232 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,150 | 11.03843 | 0.00008 | 11.98974 | 0.00009 | 6.88446 | 0.00005 | 90 | null | 90 | null | 90 | null | 911.14 | 0.02 | 295 | null | 295 | null | null | null | null | null | 4 | A m a 2 | A 2 -2a | 40 | - B3 K O9 Sr4 - | - B3 K O9 Sr4 - | - B12 K4 O36 Sr16 - | 4 | 0.5 | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun | Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr) | Inorganic Chemistry | 2,006 | 45 | 3042 | 3047 | 10.1021/ic051494+ | powder diffraction | null | null | null | null | null | null | null | null | 0.057 | null | null | null | null | null | null | has coordinates | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun
Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)
Inorganic Chemistry
45
(2006)
3042-3047 | 208,232 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,151 | 11.8465 | 0.0012 | 14.2914 | 0.0014 | 20.564 | 0.002 | 90 | null | 96.596 | 0.002 | 90 | null | 3,458.5 | 0.6 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C44 H88 Mn12 O42 - | - C44 H88 Mn12 O42 - | - C88 H176 Mn24 O84 - | 2 | 0.5 | Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell | New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing Single-Molecule Magnet Behavior | Inorganic Chemistry | 2,006 | 45 | 6 | 2376 | 2378 | 10.1021/ic051819m | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell
New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing Single-Molecule Magnet Behavior
Inorganic Chemistry
45(6)
(2006)
2376-2378 | 176,729 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,152 | 7.0989 | 0.0007 | 7.0989 | 0.0007 | 4.1353 | 0.0005 | 90 | null | 90 | null | 90 | null | 208.4 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 2 | P 4/m b m | -P 4 2ab | 127 | Calcium tetraboride | Calcium tetraboride | - B4 Ca - | - B3.99 Ca - | - B15.96 Ca4 - | 4 | 0.25 | Schmitt, Ruth; Blaschkowski, Björn; Eichele, Klaus; Meyer, H.-Jürgen | Calcium Tetraboride ‒ Does It Exist? Synthesis and Properties of a Carbon-Doped Calcium Tetraboride That Is Isotypic with the Known Rare Earth Tetraborides | Inorganic Chemistry | 2,006 | 45 | 7 | 3067 | 3073 | 10.1021/ic0518430 | 0.71073 | MoKα | 0.0264 | 0.0231 | null | null | 0.0572 | 0.0583 | null | null | null | null | null | 1.114 | null | null | has coordinates | Schmitt, Ruth; Blaschkowski, Björn; Eichele, Klaus; Meyer, H.-Jürgen
Calcium Tetraboride ‒ Does It Exist? Synthesis and Properties of a Carbon-Doped Calcium Tetraboride That Is Isotypic with the Known Rare Earth Tetraborides
Inorganic Chemistry
45(7)
(2006)
3067-3073 | 174,546 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,153 | 11.7691 | 0.0015 | 11.7691 | 0.0015 | 12.112 | 0.002 | 90 | null | 90 | null | 120 | null | 1,452.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 63/m | -P 6c | 176 | - B9 Co3 H10 Na5 O39 P6 - | - B9 Co3 Na5 O39 P6 - | - B18 Co6 Na10 O78 P12 - | 2 | 0.166667 | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren | Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni) | Inorganic Chemistry | 2,006 | 45 | 9 | 3588 | 3593 | 10.1021/ic051916f | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren
Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)
Inorganic Chemistry
45(9)
(2006)
3588-3593 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,015,094 | 9.396 | 0.0002 | 16.921 | 0.0004 | 19.5683 | 0.0004 | 76.967 | 0.001 | 85.209 | 0.001 | 75.117 | 0.001 | 2,928.25 | 0.11 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C55 H52 B2 Cl6 N12 P2 Ru2 - | - C55 H52 B2 Cl6 N12 P2 Ru2 - | - C110 H104 B4 Cl12 N24 P4 Ru4 - | 2 | 1 | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen | Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2711 | 2715 | 10.1039/c0dt01091j | 0.71073 | MoKα | 0.048 | 0.0399 | null | null | 0.0981 | 0.1046 | null | null | null | null | null | 1.05 | null | null | has coordinates,has disorder | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen
Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.
Dalton transactions (Cambridge, England : 2003)
40(12)
(2011)
2711-2715 | 179,854 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,154 | 11.9683 | 0.0005 | 11.9683 | 0.0005 | 12.1303 | 0.0006 | 90 | null | 90 | null | 120 | null | 1,504.76 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 63/m | -P 6c | 176 | - B9 H10 Mn3 Na5 O39 P6 - | - B9 Mn3 Na5 O39 P6 - | - B18 Mn6 Na10 O78 P12 - | 2 | 0.166667 | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren | Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni) | Inorganic Chemistry | 2,006 | 45 | 9 | 3588 | 3593 | 10.1021/ic051916f | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren
Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)
Inorganic Chemistry
45(9)
(2006)
3588-3593 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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1,101,155 | 11.7171 | 0.0005 | 11.7171 | 0.0005 | 12.0759 | 0.0007 | 90 | null | 90 | null | 120 | null | 1,435.79 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 63/m | -P 6c | 176 | - B9 H10 Na5 Ni3 O39 P6 - | - B9 Na5 Ni3 O39 P6 - | - B18 Na10 Ni6 O78 P12 - | 2 | 0.166667 | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren | Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni) | Inorganic Chemistry | 2,006 | 45 | 9 | 3588 | 3593 | 10.1021/ic051916f | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren
Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni)
Inorganic Chemistry
45(9)
(2006)
3588-3593 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,156 | 16.2454 | 0.0012 | 56.345 | 0.004 | 16.3333 | 0.0013 | 90 | null | 113.414 | 0.004 | 90 | null | 13,719.6 | 1.8 | 110 | 2 | 110 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C44 H41 B8 Fe2 N O7 P2 - | - C44 H41 B8 Fe2 N O7 P2 - | - C528 H492 B96 Fe24 N12 O84 P24 - | 12 | 3 | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. | Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2669 | 2677 | 10.1021/ic051946i | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,712 | null | has coordinates | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Inorganic Chemistry
45(6)
(2006)
2669-2677 | 210,270 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,015,093 | 26.1429 | 0.0005 | 26.1429 | 0.0005 | 31.4567 | 0.0009 | 90 | null | 90 | null | 120 | null | 18,618.8 | 0.7 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | R 3 c :H | R 3 -2"c | 161 | - C35 H33 B I N8 P Ru - | - C35 H33 B I N8 P Ru - | - C630 H594 B18 I18 N144 P18 Ru18 - | 18 | 1 | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen | Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2711 | 2715 | 10.1039/c0dt01091j | 0.71073 | MoKα | 0.0858 | 0.0657 | null | null | 0.1768 | 0.1921 | null | null | null | null | null | 1.06 | null | null | has coordinates | Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen
Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.
Dalton transactions (Cambridge, England : 2003)
40(12)
(2011)
2711-2715 | 301,847 | 2025-08-21 | 11:39:33 | #------------------------------------------------------------------------------
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1,101,157 | 11.6121 | 0.0006 | 11.7781 | 0.0006 | 14.4449 | 0.0008 | 80.587 | 0.002 | 85.802 | 0.002 | 82.398 | 0.002 | 1,929.19 | 0.18 | 110 | 2 | 110 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C40 H39 B8 Fe N O3 P2 - | - C40 H39 B8 Fe N O3 P2 - | - C80 H78 B16 Fe2 N2 O6 P4 - | 2 | 1 | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. | Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2669 | 2677 | 10.1021/ic051946i | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,713 | null | has coordinates | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Inorganic Chemistry
45(6)
(2006)
2669-2677 | 210,270 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,158 | 14.99 | 0.003 | 14.936 | 0.003 | 17.66 | 0.004 | 90 | null | 94.854 | 0.01 | 90 | null | 3,939.7 | 1.4 | 110 | 2 | 110 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C40 H39 B8 Fe N O3 P2 - | - C40 H39 B8 Fe N O3 P2 - | - C160 H156 B32 Fe4 N4 O12 P8 - | 4 | 1 | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. | Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2669 | 2677 | 10.1021/ic051946i | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,714 | null | has coordinates | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Inorganic Chemistry
45(6)
(2006)
2669-2677 | 210,270 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,159 | 11.8803 | 0.0004 | 15.9624 | 0.0007 | 17.6111 | 0.0007 | 90 | null | 90 | null | 90 | null | 3,339.7 | 0.2 | 110 | 2 | 110 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C8 H12 B8 Fe2 O7 - | - C8 H12 B8 Fe2 O7 - | - C64 H96 B64 Fe16 O56 - | 8 | 1 | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. | Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2669 | 2677 | 10.1021/ic051946i | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,715 | null | has coordinates | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Inorganic Chemistry
45(6)
(2006)
2669-2677 | 210,270 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,160 | 11.429 | 0.0014 | 12.8599 | 0.0017 | 14.3117 | 0.0018 | 96.175 | 0.006 | 110.698 | 0.005 | 106.957 | 0.005 | 1,829.3 | 0.4 | 110 | 2 | 110 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C31 H38 B8 Cu Fe2 O7 P - | - C31 H38 B8 Cu Fe2 O7 P - | - C62 H76 B16 Cu2 Fe4 O14 P2 - | 2 | 1 | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. | Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2669 | 2677 | 10.1021/ic051946i | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,716 | null | has coordinates,has disorder | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Inorganic Chemistry
45(6)
(2006)
2669-2677 | 210,270 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-09-01 01:47:22 +0300 (Sat, 01 Sep 2018) $
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7,015,092 | 13.7854 | 0.0004 | 13.7854 | 0.0004 | 19.7548 | 0.0009 | 90 | null | 90 | null | 120 | null | 3,251.2 | 0.2 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | P 3 1 c | P 3 -2c | 159 | - C12 H48.27 Br2.16 Co28.3 Na O69.86 - | - C12 H42.994 Br2.156 Co28.306 Na O69.8584 - | - C24 H85.988 Br4.312 Co56.612 Na2 O139.717 - | 2 | 0.333333 | Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J. | Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers. | Dalton transactions (Cambridge, England : 2003) | 2,011 | 40 | 12 | 2983 | 2994 | 10.1039/c0dt01007c | 0.71073 | MoKα | 0.0896 | 0.0556 | null | null | 0.1221 | 0.1365 | null | null | null | null | null | 0.994 | null | null | has coordinates,has disorder | Keene, Tony D.; Light, Mark E.; Hursthouse, Michael B.; Price, Daniel J.
Structure and magnetism of new hybrid cobalt hydroxide materials built from decorated brucite layers.
Dalton transactions (Cambridge, England : 2003)
40(12)
(2011)
2983-2994 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,161 | 11.5823 | 0.0017 | 12.8429 | 0.0019 | 14.42 | 0.002 | 97.59 | 0.004 | 112.387 | 0.004 | 104.934 | 0.004 | 1,851.6 | 0.5 | 110 | 2 | 110 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C31 H38 Ag B8 Fe2 O7 P - | - C31 H38 Ag B8 Fe2 O7 P - | - C62 H76 Ag2 B16 Fe4 O14 P2 - | 2 | 1 | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. | Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2669 | 2677 | 10.1021/ic051946i | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,717 | null | has coordinates,has disorder | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Inorganic Chemistry
45(6)
(2006)
2669-2677 | 210,270 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,162 | 12.6993 | 0.0014 | 13.4499 | 0.0016 | 15.9396 | 0.0018 | 114.448 | 0.005 | 90.694 | 0.004 | 90.124 | 0.004 | 2,478.2 | 0.5 | 110 | 2 | 110 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C15 H40 B8 Fe O2 P2 - | - C15 H40 B8 Fe O2 P2 - | - C60 H160 B32 Fe4 O8 P8 - | 4 | 2 | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. | Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2669 | 2677 | 10.1021/ic051946i | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,718 | null | has coordinates,has disorder | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
Inorganic Chemistry
45(6)
(2006)
2669-2677 | 210,270 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,163 | 6.1944 | 0.0012 | 6.3315 | 0.0013 | 13.804 | 0.003 | 85.34 | 0.03 | 85.18 | 0.03 | 89.82 | 0.03 | 537.67 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - Ba F Sb Se2 - | - Ba F Sb Se2 - | - Ba4 F4 Sb4 Se8 - | 4 | 2 | Kabbour, Houria; Cario, Laurent | Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks | Inorganic Chemistry | 2,006 | 45 | 2713 | 2717 | 10.1021/ic051969x | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kabbour, Houria; Cario, Laurent
Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks
Inorganic Chemistry
45
(2006)
2713-2717 | 174,547 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,164 | 4.19264 | 0.0001 | 4.19264 | 0.0001 | 14.2145 | 0.0004 | 90 | null | 90 | null | 90 | null | 249.866 | 0.011 | null | null | null | null | null | null | null | null | 4 | P 4/n m m :2 | -P 4a 2a | 129 | ? | - F2 Sb2 Se4 Sr2 - | - F2 Sb2 Se4 Sr2 - | null | null | Kabbour, Houria; Cario, Laurent | Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks | Inorganic Chemistry | 2,006 | 45 | 2713 | 2717 | 10.1021/ic051969x | powder diffraction | null | null | null | null | null | null | null | null | 4.792 | null | null | null | null | null | null | has coordinates | Kabbour, Houria; Cario, Laurent
Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks
Inorganic Chemistry
45
(2006)
2713-2717 | 176,729 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,165 | 12.7321 | 0.0009 | 20.865 | 0.002 | 29.018 | 0.003 | 98.802 | 0.003 | 94.962 | 0.004 | 96.489 | 0.003 | 7,527 | 1.2 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - H67 K14 O148.5 Si3 W30 Zr6 - | - K10 O148.5 Si3 W30 Zr6 - | - K20 O297 Si6 W60 Zr12 - | 2 | 1 | Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich | Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2394 | 2396 | 10.1021/ic052131c | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,751 | null | has coordinates | Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich
Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^
Inorganic Chemistry
45(6)
(2006)
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1,101,166 | 39.789 | 0.002 | 19.7049 | 0.0008 | 12.9402 | 0.0004 | 90 | null | 90 | null | 90 | null | 10,145.6 | 0.7 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P n a 21 | P 2c -2n | 33 | - H54 K10 O104 Si2 W20 Zr4 - | - K10 O104 Si2 W20 Zr4 - | - K40 O416 Si8 W80 Zr16 - | 4 | 1 | Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich | Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^ | Inorganic Chemistry | 2,006 | 45 | 6 | 2394 | 2396 | 10.1021/ic052131c | null | null | null | null | null | null | null | null | null | null | null | null | null | 4,300,752 | null | has coordinates | Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich
Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^
Inorganic Chemistry
45(6)
(2006)
2394-2396 | 210,952 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,167 | 5.2347 | null | 5.2421 | null | 19.4177 | null | 90 | null | 90 | null | 90 | null | 532.838 | null | 298 | null | null | null | null | null | null | null | 3 | A 21 a m | A -2 2a | 36 | - Ca3 Mn2 O7 - | - Ca3 Mn2 O7 - | - Ca12 Mn8 O28 - | 4 | 0.5 | Guiblin, Nicolas; Grebille, Dominique; Leligny, Henri; Martin, Christine | Ca~3~Mn~2~O~7~ | Acta Crystallographica, Section C: Crystal Structure Communications | 2,002 | 58 | 1 | i3 | i5 | 10.1107/S0108270101018492 | null | null | null | null | null | null | null | null | null | null | null | null | null | 2,012,432 | null | has coordinates | Guiblin, Nicolas; Grebille, Dominique; Leligny, Henri; Martin, Christine
Ca~3~Mn~2~O~7~
Acta Crystallographica, Section C: Crystal Structure Communications
58(1)
(2002)
i3-i5 | 210,900 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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1,101,168 | 7.932 | 0.004 | 7.932 | null | 7.932 | null | 90 | null | 90 | null | 90 | null | 499.05 | null | null | null | null | null | null | null | null | null | 2 | F d -3 m | null | eta- Al-oxid_fit2gnn | - Al2 O3 - | - Al17.36 O32 - | - Al17.36 O32 - | 1 | null | St210499->St100gnn | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates |
St210499->St100gnn
()
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