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_7034242
_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         'C18 H36 N2 O4 P2 W'
_chemical_formula_sum            'C18 H36 N2 O4 P2 W'
_chemical_formula_weight         590.28
_chemical_name_systematic
'(bis{2-[bis(1-methylethyl)phosphanyl-\k<i>P</i>]ethyl}carbamato-\k^2^<i>N</i>,<i>O</i>)(carbonyl)(nitrosyl)tungsten '
_space_group_IT_number           14
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_audit_update_record
;
2013-09-11 deposited with the CCDC.
2015-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.979(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8847(1)
_cell_length_b                   26.3644(4)
_cell_length_c                   11.5872(2)
_cell_measurement_reflns_used    27135
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      32.67
_cell_measurement_theta_min      2.70
_cell_volume                     2303.70(7)
_computing_cell_refinement
;
CrysAlisPro, version 1.171.35.11 (Agilent, 2011)
;
_computing_data_collection
;
CrysAlisPro, version 1.171.35.11 (Agilent, 2011)
;
_computing_data_reduction
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CrysAlisPro, version 1.171.35.11 (Agilent, 2011)
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_computing_molecular_graphics
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DIAMOND (Brandenburg, 2006) 
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_computing_publication_material
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<i>WinGX</i> (Farrugia, 1999), <i>PLATON for Windows</i> (Spek, 2003) and
<i>publCIF</i> (Westrip, 2010)
;
_computing_structure_refinement  ' SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    ' SHELXS97 (Sheldrick, 2008) '
_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  'Xcalibur, Ruby'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
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;
CrysAlisPro, Version 1.171.35.11 (Agilent, 2011).
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid (1995).
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.657
_refine_diff_density_min         -1.231
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5720
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.294
_refine_ls_R_factor_all          0.0212
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0093P)^2^+2.1311P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0400
_refine_ls_wR_factor_ref         0.0403
_reflns_number_gt                5574
_reflns_number_total             5720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00278h2.cif
_cod_data_source_block           2b(trans)
_cod_depositor_comments
'Adding full bibliography for 7034242--7034245.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7034242