Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.
Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz; Dalton transactions (Cambridge, England : 2003) 44 (2015) 6560–6570; doi:10.1039/c5dt00278h

data_7034244
_publ_section_title
;
 Ligand assisted carbon dioxide activation and hydrogenation using
 molybdenum and tungsten amides.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6560
_journal_page_last               6570
_journal_paper_doi               10.1039/c5dt00278h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C16 H37 Cl2 Mo N2 O P2'
_chemical_formula_sum            'C16 H37 Cl2 Mo N2 O P2'
_chemical_formula_weight         502.26
_chemical_name_systematic
'(2-[bis(1-methylethyl)phosphanyl-\k<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-\k<i>P</i>]ethyl}ethanamine-\k<i>N</i>)(dichloro)(nitrosyl)molybdenum  '
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2013-09-11 deposited with the CCDC.
2015-03-02 downloaded from the CCDC.
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_cell_measurement_reflns_used    25183
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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  Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
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; WinGX -- An integrated system of Windows programs for the solution,
 refinment and analysis of single crystal X-ray diffraction data,
 Version 1.80.00.
 Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
 SHELXL97. Program for crystal structure refinement.
 Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
 PLATON for Windows, Version 1.12.
 Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13. 
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  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
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; SHELXS97. Program for Crystal Structure solution.
  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.  
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_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
; Goniometer Xcalibur, detector: Ruby
Oxford Diffraction (2007). Oxford Diffraction Ltd.,
Xcalibur CCD system
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_diffrn_measurement_method       'omega scans'
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_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.933
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.799
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CrysAlisPro, Oxford Diffraction Ltd.,
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Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.426
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_exptl_crystal_description       'flat needle'
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.30
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_refine_diff_density_max         1.107
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_refine_ls_abs_structure_details
'Flack H. D. (1983), Acta Cryst. A39, 876-881. 3733 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         8495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0541P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
'Adding full bibliography for 7034242--7034245.cif.'
_cod_database_code               7034244