Stabilised (H2)Al‒E(H)R species, E = P or As, R− = C(SiMe3)2(6-Me-2-pyridyl)−
Andrews, Philip C.; Raston, Colin L.; Roberts, Brett A.; Chemical Communications  (2000) 1961–; doi:10.1039/b003990j

data_7115164
_publ_section_title
;
 Stabilised (H2)Al--E(H)R species, E = P or As, R&#x2212; =
 C(SiMe3)2(6-Me-2-pyridyl)&#x2212;
;
_journal_issue                   19
_journal_name_full               'Chemical Communications'
_journal_page_first              1961
_journal_paper_doi               10.1039/b003990j
_journal_year                    2000
_chemical_formula_moiety         'C24 H54 Al2 N2 P2 Si4 '
_chemical_formula_sum            'C24 H54 Al2 N2 P2 Si4'
_chemical_formula_weight         598.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             19100-08-23
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                90
_cell_angle_beta                 99.330(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3949(2)
_cell_length_b                   13.7790(3)
_cell_length_c                   14.2939(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1825.90(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_diffrn_ambient_temperature      273.2
_diffrn_measurement_device_type  unknown
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00000
_diffrn_reflns_av_sigmaI/netI    0.060
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4510
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         35.41
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.314
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_meas      ?
_exptl_crystal_description       unknown
_exptl_crystal_F_000             648.00
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.42
_refine_diff_density_min         -1.05
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.242
_refine_ls_goodness_of_fit_ref   2.823
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     163
_refine_ls_number_reflns         3554
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.0051
_refine_ls_shift/su_mean         0.1342
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0557
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                3554
_reflns_number_total             12947
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b003990j.txt
_cod_data_source_block           rphalh2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

2018-03-14
Z value changed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            2
_cod_original_cell_volume        1825.90(6)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C24 H54 Al2 N2 P2 Si4 '
_cod_database_code               7115164