Ein anorganischer Spirocyclus aus Cyclotriphosphazen und Phosphor(V)-Hydrazin-Heterocyclus mit Twist-Konformation
Diefenbach, U.; Stromburg, B.; Engelhardt, U.; Acta Crystallographica Section C Crystal Structure Communications 51 (1995) 670–; doi:10.1107/S0108270194001447

data_2019351
_publ_section_title
;
 Ein anorganischer Spirocyclus aus Cyclotriphosphazen und
 Phosphor(V)-Hydrazin-Heterocyclus mit Twist-Konformation
;
_journal_issue                   4
_journal_name_full
'Acta Crystallographica Section C Crystal Structure Communications'
_journal_page_first              670
_journal_paper_doi               10.1107/S0108270194001447
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H17 Cl4 N7 O P4 S'
_chemical_formula_weight         549.06
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
' Cromer & Mann (1968);  Stewart, Davidson & Simpson (1965)'
_cell_angle_alpha                92.88(5)
_cell_angle_beta                 100.55(8)
_cell_angle_gamma                90.78(8)
_cell_formula_units_Z            2
_cell_length_a                   7.906(9)
_cell_length_b                   12.076(8)
_cell_length_c                   12.350(10)
_cell_measurement_reflns_used    122
_cell_measurement_temperature    293
_cell_measurement_theta_max      10
_cell_measurement_theta_min      5
_cell_volume                     1157.4(18)
_diffrn_measurement_device       'automatisches Stoe-Vierkreis'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.128
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5371
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        -3
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.89
_exptl_absorpt_correction_T_max  1.34
_exptl_absorpt_correction_T_min  0.35
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Farblos
_exptl_crystal_density_diffrn    1.575(4)
_exptl_crystal_description       Prismenf\"ormig
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.71
_refine_ls_extinction_coef       1.9(2)
_refine_ls_extinction_method     isotrop
_refine_ls_goodness_of_fit_obs   2.57
_refine_ls_hydrogen_treatment    'siehe text'
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3741
_refine_ls_R_factor_obs          0.069
_refine_ls_shift/esd_max         0.23
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.061
_reflns_number_observed          2539
_reflns_number_total             4994
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            sh1086sup1.cif
_cod_data_source_block           sh1086a
_cod_original_cell_volume        1157(3)
_cod_original_formula_sum        'C10 H17 Cl4 N7 O1 P4 S1'
_cod_database_code               2019351