{μ-9,10-Bis[(<i>n</i>-propylamino)methyl]anthracene-κ^2^<i>N</i>:<i>N</i>'}bis{bis[6-chloro-2-(diphenylphosphino)pyridine-κ<i>P</i>]copper(I)} diperchlorate
Xu, Feng-Bo; Xu, Hu; Leng, Xue-Bing; Song, Hai-Bin; Li, Qing-Shan; Zou, Ru-Yi; Zhang, Zheng-Zhi; Acta Crystallographica Section E 59 (2003) m1044–m1045; doi:10.1107/S1600536803022104

data_2202997
_publ_section_title
;{\m-9,10-Bis[(<i>n</i>-propylamino)methyl]anthracene-\k^2^<i>N</i>:<i>N</i>'}bis{bis[6-chloro-2-(diphenylphosphino)pyridine-\k<i>P</i>]copper(I)}
 diperchlorate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1044
_journal_page_last               m1045
_journal_paper_doi               10.1107/S1600536803022104
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Cu2 (C15 H13 Cl P)4 (C30 H28 N2)] (Cl O4)2'
_chemical_formula_moiety         'C90 H80 Cl4 Cu2 N6  P4 2+, 2Cl O4 1-'
_chemical_formula_sum            'C90 H80 Cl6 Cu2 N6 O8 P4'
_chemical_formula_weight         1837.28
_chemical_name_systematic
;
[(\m-9,10-bis(N-(n-propyl)aminomethyl)anthracene) tetra(2-(diphenyl
phosphino)-6-chloro pyridine) dicopper(I)] diperchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.409(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.507(3)
_cell_length_b                   18.359(4)
_cell_length_c                   17.968(4)
_cell_measurement_reflns_used    873
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.5
_cell_measurement_theta_min      2.5
_cell_volume                     4435.8(17)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SHELXTL (Bruker, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0840
_diffrn_reflns_av_sigmaI/netI    0.1081
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18343
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.790
_exptl_absorpt_correction_T_max  0.8579
_exptl_absorpt_correction_T_min  0.7974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1892.0
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.731
_refine_diff_density_min         -0.321
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         7801
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.1364
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0451P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                3755
_reflns_number_total             7801
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ww6114.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4435.7(15)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2202997
_cod_database_fobs_code          2202997