Polycyclic Bis(tert-butylamido)cyclodiphosph(III)azane Complexes of Lithium and Magnesium: Their Syntheses, Molecular Structures, and Relationships to Isoelectronic Cyclodisilazane Derivatives
Ingo Schranz; Lothar Stahl; Richard J. Staples; Inorganic Chemistry 37 (1998) 1493–1498; doi:10.1021/ic971201f

data_4322725
_publ_section_title
;
 Polycyclic Bis(tert-butylamido)cyclodiphosph(III)azane Complexes of
 Lithium and Magnesium: Their Syntheses, Molecular Structures, and
 Relationships to Isoelectronic Cyclodisilazane Derivatives
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1493
_journal_page_last               1498
_journal_paper_doi               10.1021/ic971201f
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C24 H52 Li2 N4 O2 P2'
_chemical_formula_weight         504.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 105.617(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.691(1)
_cell_length_b                   15.827(2)
_cell_length_c                   19.424(4)
_cell_measurement_reflns_used    94
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      19.03
_cell_measurement_theta_min      2.83
_cell_volume                     3165.3(8)
_computing_cell_refinement       'SMART (SIEMENS, V4.033, 1994)'
_computing_data_collection       'ASTRO (SIEMENS, V4.033, 1994)'
_computing_data_reduction        'SAINT (SIEMENS, V4.035, 1994)'
_computing_molecular_graphics    'SHELXTL (SIEMENS, 1994, ver 5.04)'
_computing_publication_material  'CIFTAB (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      233(2)
_diffrn_measurement_device       'Siemens CCD'
_diffrn_measurement_method       '\w, 0.3 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.161
_exptl_absorpt_correction_T_max  0.9683
_exptl_absorpt_correction_T_min  0.9376
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.059
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.2
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_refine_ls_R_factor_obs          0.0663
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_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1101P)^2^+0.3597P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1863
_refine_ls_wR_factor_obs         0.1658
_reflns_number_observed          3985
_reflns_number_total             5531
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic971201f_2.cif
_cod_data_source_block           ls134f_Compound_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1101P)^2^+0.3597P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.1101P)^2^+0.3597P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3165.2(9)
_cod_database_code               4322725