Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result in Different Complex Stabilities and Reactivities
Batke, Sonja; Sietzen, Malte; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim; Organometallics 35 (2016) 2294–; doi:10.1021/acs.organomet.6b00384

data_4086558
_publ_section_title
;
 Closely Related Benzylene-Linked Diamidophosphine Scaffolds and Their
 Zirconium and Hafnium Complexes: How Small Changes of the Ligand Result
 in Different Complex Stabilities and Reactivities
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2294
_journal_paper_doi               10.1021/acs.organomet.6b00384
_journal_volume                  35
_journal_year                    2016
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Olex2 1.2
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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  1 omega  -26.00    2.00   0.5000   15.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega   63.00   94.00   0.5000   15.0000
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  4 omega   34.00   59.00   0.5000   15.0000
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  5 omega  -44.00   59.00   0.5000   15.0000
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  6 omega   -2.00   23.00   0.5000   15.0000
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  7 omega   67.00   93.00   0.5000   15.0000
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  8 omega   10.00   96.00   0.5000   15.0000
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  9 omega  -42.00   57.00   0.5000   15.0000
omega____ theta____ kappa____ phi______ frames
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 11 omega   -3.00   -1.50   0.5000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       26.8662   77.0000   60.0000 3

;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
Numerical absorption correction based on gaussian integration over
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Empirical absorption correction using spherical harmonics,
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'w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+0.1239P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 4086549--4086572.cif.'
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;
1. Fixed Uiso
 At 1.2 times of:
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 At 1.5 times of:
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2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C14(H14A,H14B)
2.b Aromatic/amide H refined with riding coordinates:
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2.c Idealised Me refined as rotating group:
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;
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