Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes
Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan; Organometallics 35 (2016) 2378–; doi:10.1021/acs.organomet.6b00380

data_4086580
_publ_contact_author
;
         Prof. Dr. Schulz, Stephan
         Fachbereich Chemie der
         Universit\"at Duisburg-Essen
         Campus Essen, Universit\"atsstr. 7
         D-45141 Essen, Germany
;
_publ_section_title
;
 Synthesis and Structure of Bis(diphenylphosphinimino)methanide and
 Bis(diphenylphosphinimino)methanediide Beryllium Complexes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2378
_journal_paper_doi               10.1021/acs.organomet.6b00380
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C51 H60 Be N2 P2'
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_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
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_computing_cell_refinement       'BRUKER D8 KAPPA APEX 2 (3.0-2009)'
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_computing_molecular_graphics    'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
_computing_publication_material  'BRUKER AXS SHELXTL (c) 2008 / Vers. 2008/4'
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; 
 Bruker D8 KAPPA series II with APEX II area detector system
;
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;
 Data collection strategy APEX 2/COSMO
;
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; 
 TWINABS - Bruker AXS scaling for twinned crystals - Version 2008/4
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       tablet
_exptl_crystal_F_000             3312
_exptl_crystal_size_max          0.298
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_exptl_crystal_size_min          0.092
_refine_diff_density_max         0.531
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_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0892P)^2^+0.9293P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1399
_refine_ls_wR_factor_ref         0.1500
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9722
_reflns_number_total             13520
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mb_192_tw4
_cod_depositor_comments
;Adding full bibliography for 4086580--4086582.cif.

The following automatic conversions were performed:

'_atom_sites_solution_secondary' value 'diffmap' was changed to
'difmap'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               4086580
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_shelx_res_checksum              78933
_shelx_hkl_checksum              24731