HOYNUE 6-coordinate H
DOI: 10.14469/hpc/3576 Metadata
Created: 2018-01-13 17:36
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
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input.gjf | 8KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 3MB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 452MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 17KB | application/xml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
DOI | Description |
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10.14469/hpc/333 | blog |
Associated DOIs
Current dataset ... | DOI | Description |
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References | 10.1016/S0022-328X(96)06808-8 | Synthesis and characterisation of ruthenium carbonyl complexes with cyclometallated ligands derived from senecialdimine |
References | 10.1021/ja010555+ | (Pentamethylcyclopentadienyl)samarium(II) Alkyl Complex with the Neutral âC5Me5Kâ Ligand:â A Precursor to the First Dihydrido Lanthanide(III) Complex and a Precatalyst for Hydrosilylation of Olefins |
References | 10.1021/om00099a020 | Cluster synthesis. 22. Synthesis and structural characterization of Ru7(CO)19(.mu.-CNMe2)(.mu.6-H) containing an interstitial hydride ligand and Ru5(CO)12(PMe2Ph)2(.mu.4-.eta.2-CNMe2)(.mu.-H) containing a quadruply bridging (dimethylamino)carbyne ligand |
References | 10.1039/c39800000295 | PAHCRU : Tetraphenylarsonium (μ6-hydrido)-hexakis(tricarbonyl-ruthenium) |
References | 10.5517/cc11d1hz | FISLOK : (μ7-Hydrido)-hexakis(μ4-3,5-di-t-butyl-1H-pyrazolato)-hepta-lithium n-hexane solvate |
References | 10.5517/cc11d1j0 | FISLUQ : ((μ7-Hydrido)-hexakis(μ4-3,5-di-t-butyl-1H-pyrazolato)-hepta-lithium (μ8-oxo)-hexakis(μ4-3,5-di-t-butyl-1H-pyrazolato)-octa-lithium) benzene solvate |
References | 10.5517/cc11d1k1 | FISMAX : (μ6-Hydrido)-nonakis(μ5-hydrido)-bis(μ4-3,5-di-t-butylpyrazolato)-bis(μ4-hydrido)-octakis(μ3-3,5-di-t-butylpyrazolato)-docosa-lithium |
References | 10.5517/cc11d1l2 | FISMEB : bis(μ6-Hydrido)-nonadecakis(μ5-hydrido)-(μ5-hydroxo)-tetrakis(μ4-3,5-di-t-butylpyrazolato)-bis(μ4-hydrido)-hexakis(μ3-3,5-di-t-butylpyrazolato)-bis(μ3-η2-3,5-di-t-butylpyrazolato)-bis(μ3-hydrido)-heptatriaconta-lithium n-hexane solvate |
References | 10.5517/cc11d1m3 | FISMIF : tetrakis(Tetrahydrofuran)-lithium(i) bis(μ6-hydrido)-hexadecakis(μ5-hydrido)-tetrakis(μ4-3,5-di-t-butylpyrazolato)-hexakis(μ4-hydrido)-hexakis(μ3-3,5-di-t-butylpyrazolato)-bis(μ3-η2-3,5-di-t-butylpyrazolato)-bis(μ3-hydrido)-bis(tetrahydrofuran)-heptatriaconta-lithium n-hexane tetrahydrofuran solvate |
References | 10.5517/cc11d1n4 | FISMOL : tetrakis(Tetrahydrofuran)-lithium(i) bis(μ6-hydrido)-octadecakis(μ5-hydrido)-tetrakis(μ4-3,5-di-t-butylpyrazolato)-hexakis(μ4-hydrido)-hexakis(μ3-3,5-di-t-butylpyrazolato)-bis(μ3-η2-3,5-di-t-butylpyrazolato)-bis(tetrahydrofuran)-heptatriaconta-lithium n-hexane tetrahydrofuran solvate |
References | 10.5517/cc13zzdg | LOWZOO : dodecakis(μ-O,O-dibutan-2-yl phosphorodithioato)-icosakis(μ-hydrido)-dotriaconta-copper |
References | 10.5517/cc1kl83j | XAFLUO : dodecakis(μ-dibutylcarbamodithioato)-pentadecakis(μ-hydrido)-octacosa-copper hexafluorophosphate |
References | 10.5517/cc6x6q0 | EHORIC : (μ6-Hydrido)-(μ3-chloro)-tris(μ3-N,N',N''-trimethyl-1,3,5-triazacyclohexane-N,N',N'')-tris(μ2-chloro)-hexa-copper tetrafluoroborate dichloromethane solvate |
References | 10.5517/cc715n2 | AMITIZ : (μ8-Hydrido)-hexakis(μ4-1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidine-N,N,N',N')-octa-lithium tri-t-butyl-zinc toluene solvate |
References | 10.5517/cc7vqd5 | HOYNUE01 : (μ6-Hydrido)-hexakis(μ4-(2-pyridyl)anilido)-octa-lithium tetrakis(μ2-methyl)-tetra-t-butyl-di-aluminium-lithium |
References | 10.5517/cc9p9bl | NEWWAO : (μ6-Hydrido)-hexakis(μ4-(2-pyridyl)anilido)-octa-lithium tetrakis(μ2-methandiyl)-tetra-t-butyl-di-aluminium-lithium benzene solvate |
References | 10.5517/ccnrl54 | NEWWOC : (μ8-Hydrido)-hexakis(μ4-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)-octa-lithium t-butyl-triethylborate |
References | 10.5517/ccnrl65 | NEWWUI : (μ8-Hydrido)-hexakis(μ4-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)-octa-lithium hydrotriethylborate |
References | 10.5517/ccnrl76 | NEWXAP : (μ8-Hydrido)-hexakis(μ4-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)-octa-lithium hydrido-bis(triethylborane) |
References | 10.5517/ccqc91d | VOBVAK : (η5-1-(3-(6-Methyl-2-pyridyl)-2-methylprop-2-yl)indenyl)-dicarbonyl-ruthenium (μ6-hydrido)-octadecacarbonyl-hexa-ruthenium dichloromethane solvate |
References | 10.5517/ccqc92f | VOBVEO : 2',2',5'-Trimethyl-1',2,2',3-tetrahydrospiro(indene-1,3'-indolizinium) (μ6-hydrido)-octadecacarbonyl-hexa-ruthenium dichloromethane solvate |
References | 10.5517/ccqc93g | VOBVIS : (η3-3-(2-Pyridylmethylene)indene)-(η2-3-(2-pyridylmethyl)indene)-carbonyl-ruthenium (μ6-hydrido)-octadecacarbonyl-hexa-ruthenium |
References | 10.5517/ccqjmxr | EFEPIP : (μ6-Hydrido)-octakis(μ3-hydrido)-tris(μ2-hydrido)-hexakis(tris(pyrazolyl)borato)-hexa-yttrium diethyl ether solvate |
References | 10.5517/ccqjmys | EFEPOV : (μ6-Hydrido)-octakis(μ3-hydrido)-tris(μ2-hydrido)-hexakis(tris(pyrazolyl)borato)-hexa-lutetium diethyl ether solvate |
References | 10.5517/ccvc08g | USEMOV : (μ6-Hydrido)-octakis(μ3-hydrido)-tris(μ2-hydrido)-hexakis(hydrogen tris(pyrazoly)borate)-hexa-ytterbium diethyl ether solvate |
References | 10.5517/ccxjc5y | HAGBIC : (μ6-Hydrido)-octakis(μ3-hydrido)-tris(μ2-hydrido)-hexakis(η5-pentamethylcyclopentadienyl)-hexa-yttrium toluene solvate |
References | 10.5517/cczrv6r | GEQLUL : tetrakis(μ6-Hydrido)-dodecakis(μ4-N-(dithiocarboxylato)-1-aza-15-crown-5)-tris(μ4-hydrido)-octakis(μ3-hydrido)-octacosa-copper hexafluorophosphate acetone solvate |
Subject Keywords
Keyword | Value |
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inchi | InChI=1S/6C11H9N2.8Li.H/c6*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;;;;;;;;/h6*1-9H;;;;;;;;;/q;;;;2*-1;;;;;;;2*+1; |
inchi | InChI=1S/6C11H9N2.8Li.H/c6*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;;;;;;;;/h6*1-9H;;;;;;;;; |
inchi | InChI=1S/6C11H9N2.8Li.H/c6*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;;;;;;;;/h6*1-9H;;;;;;;;;/q;;;;2*-1;;;;;;;2*+1; |
inchikey | OJORDWNCHDRUMH-UHFFFAOYSA-N |
inchikey | OIPQNGRXGGHSDI-UHFFFAOYSA-N |
inchikey | OJORDWNCHDRUMH-UHFFFAOYSA-N |