syn-(mu2-Tetramethylene)-bis(2-(1,3-propylenediamine-N,N')-4,4,6,6-tetrachloro- cyclotriphosphazene
Hursthouse, Michael B.; Coles, Simon J.; Crystal Structure Report Archive  (2004) 57–; doi:

data_1519595
_publ_section_title
;
 syn-(mu2-Tetramethylene)-bis(2-(1,3-propylenediamine-N,N')-4,4,6,6-tetrachloro-
 cyclotriphosphazene
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              57
_journal_year                    2004
_chemical_formula_sum            'C10 H22 Cl8 N10 O0 P6'
_chemical_formula_weight         751.80
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                79.211(2)
_cell_angle_beta                 77.133(2)
_cell_angle_gamma                69.254(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0230(4)
_cell_length_b                   10.8755(5)
_cell_length_c                   15.3970(7)
_cell_measurement_reflns_used    15566
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     1519.28(12)
_computing_cell_refinement       'DENZO & COLLECT'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO & COLLECT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1145
_diffrn_reflns_av_sigmaI/netI    0.0842
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23087
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.8813
_exptl_absorpt_correction_T_min  0.7036
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blade
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.676
_refine_diff_density_min         -1.443
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         6805
_refine_ls_number_restraints     206
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1087
_refine_ls_R_factor_gt           0.0742
_refine_ls_shift/su_max          0.121
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0959P)^2^+3.8325P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1960
_refine_ls_wR_factor_ref         0.2184
_reflns_number_gt                4657
_reflns_number_total             6805
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            eCrystal-57.cif
_cod_data_source_block           03src0073
_cod_depositor_comments
;
Citation :
Hursthouse, Michael B. and Coles, Simon J. (2004) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/57)

More at:
http://ecrystals.chem.soton.ac.uk/57/

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1519595