{<i>N</i>^2^-[2,2-Bis(diphenylphosphino)ethyl]-<i>N</i>^1^,<i>N</i>^1^-dimethylethane-1,2-diamine}-1κ^2^<i>P</i>,<i>P</i>':2κ^2^<i>N</i>^1^,<i>N</i>^2^-tetracarbonyl-1κ^4^<i>C</i>-dichloro-2κ^2^<i>Cl</i>-molybdenumzinc(II), a bimetal complex with a hetero-bifunctional ligand
Flörke, U.; Haupt, H.-J.; Acta Crystallographica Section C 49 (1993) 803–805; doi:10.1107/S010827019201237X

data_2001817
_publ_contact_author
;
Dr Ulrich Fl\"orke
Anorganische und Analytische Chemie
Universit\"at-GH Paderborn
Warburgerstr. 100
D-4790 Paderborn, FRG
;
_publ_section_title
;{<i>N</i>^2^-[2,2-Bis(diphenylphosphino)ethyl]-<i>N</i>^1^,<i>N</i>^1^-dimethylethane-1,2-diamine}-1\k^2^<i>P</i>,<i>P</i>':2\k^2^<i>N</i>^1^,<i>N</i>^2^-tetracarbonyl-1\k^4^<i>C</i>-dichloro-2\k^2^<i>Cl</i>-molybdenumzinc(II),
 a bimetal complex with a hetero-bifunctional ligand
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              803
_journal_page_last               805
_journal_paper_doi               10.1107/S010827019201237X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C34 H34 Cl2 Mo N2 O4 P2 Zn'
_chemical_formula_weight         828.8
_chemical_name_systematic
;{N^2^-[2,2-Bis(diphenylphosphino)ethyl]-N^1^,N^1^-dimethylethane-1,2-diamine}-
1\k^2^P,P':2\k^2^N^1^,N^2^-tetracarbonyl-1\k^4^C-dichloro-2\k^2^Cl-
molybdenumzinc(II)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                92.680(10)
_cell_angle_beta                 96.730(10)
_cell_angle_gamma                82.360(10)
_cell_formula_units_Z            2
_cell_length_a                   12.274(2)
_cell_length_b                   14.358(2)
_cell_length_c                   10.798(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      8
_cell_volume                     1872.1(5)
_diffrn_measurement_device       'Siemens R3m/V diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9058
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.25
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.856
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_description       prism
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.52
_refine_ls_goodness_of_fit_obs   1.854
_refine_ls_hydrogen_treatment
;noref, fixed at idealized positions with common U~iso~ = 0.08 \%A^2^;
Phenyl groups treated as rigid bodies (C-C 1.395, C-H 0.96 \%A)
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         6516
_refine_ls_R_factor_obs          0.033
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/[\s^2^(F)+0.0001F^2^]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          6516
_reflns_number_total             8608
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            sh1029.cif
_cod_data_source_block           global
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w=1/[\s^2^(F)+0.0001F^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(F)+0.0001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C34 H34 Cl2 Mo1 N2 O4 P2 Zn1'
_cod_database_code               2001817