Syntheses of Molybdenum(II) and Molybdenum(IV) Complexes Bearing Tethered Homoallylic Phosphines†
Rodrigues, Cristina Wippert; Antelmann, Björn; Limberg, Christian; Kaifer, Elisabeth; Pritzkow, Hans; Organometallics 20 (2001) 1825–; doi:10.1021/om001065d

data_4077274
_publ_section_title
;
 Syntheses of Molybdenum(II) and Molybdenum(IV) Complexes Bearing Tethered
 Homoallylic Phosphines&#x2020;
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              1825
_journal_paper_doi               10.1021/om001065d
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C27 H23 Mo O P'
_chemical_formula_weight         490.36
_chemical_name_systematic
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 ?                                                                                 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.34(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.173(3)
_cell_length_b                   15.674(3)
_cell_length_c                   18.031(4)
_cell_measurement_temperature    200
_cell_volume                     4218.5(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.999
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_diffrn_measurement_device_type  'NONIUS KAPPA CCD'
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_diffrn_reflns_theta_full        26.02
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_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.714
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2000
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     483
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0548P)^2^+1.1462P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om001065d.cif
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_cod_depositor_comments
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The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'monoklin' was replaced with
'monoclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4218.6(14)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4077274