Coordination polymers based on octacyanometalates(IV,V)(M = Mo, W) and aliphatic polyamine copper(II) tectons with [N3] donor atom sets
Robert Podgajny; Tomasz Korzeniak; Katarzyna Stadnicka; Yves Dromzée; Nathaniel W. Alcock; William Errington; Krzysztof Kruczała; Maria Bałanda; Terence J. Kemp; Michel Verdaguer; Barbara Sieklucka; Dalton Trans.  (2003) 3458–3468; doi:10.1039/b306422k

data_7013330
_publ_section_title
;
 Coordination polymers based on octacyanometalates(IV,V)(M = Mo, W) and
 aliphatic polyamine copper(II) tectons with [N3] donor atom sets
;
_journal_issue                   17
_journal_name_full               'Dalton Trans.'
_journal_page_first              3458
_journal_page_last               3468
_journal_paper_doi               10.1039/b306422k
_journal_year                    2003
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C32 H60 Cu2 N26 W2 , 5 (O) '
_chemical_formula_sum            'C32 H60 Cu2 N26 O5 W2'
_chemical_formula_weight         1383.7
_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
_cell_angle_alpha                62.55(1)
_cell_angle_beta                 63.44(1)
_cell_angle_gamma                62.02(1)
_cell_formula_units_Z            2
_cell_length_a                   14.674(2)
_cell_length_b                   15.215(2)
_cell_length_c                   16.073(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      14
_cell_volume                     2687.5(7)
_computing_cell_refinement
;
Cad4 Express, (Enraf-Nonius, 1989)
;
_computing_data_collection
;
Cad4 Express, (Enraf-Nonius, 1989)
;
_computing_data_reduction
;
RC93 (Watkin, Prout &amp; Lilley, 1994)
;
_computing_molecular_graphics
;
CAMERON (Watkin et al 1996)
;
_computing_publication_material
;
CRYSTALS (Watkin et al 2001)
;
_computing_structure_refinement
;
CRYSTALS (Watkin et al 2001)
;
_computing_structure_solution
;
SHELXS 86 (Sheldrick, 1986)
;
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;
Enraf-Nonius CAD4
;
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9892
_diffrn_reflns_theta_full        24.972
_diffrn_reflns_theta_max         24.972
_diffrn_reflns_theta_min         1.599
_diffrn_standards_decay_%        53.56
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  3600
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    5.2
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
Azimutal absorption correction (North et al, 1968)
;
_exptl_crystal_colour            ' deep blue '
_exptl_crystal_density_diffrn    1.70
_exptl_crystal_description       ' prism '
_exptl_crystal_F_000             1360.000
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         3.49
_refine_diff_density_min         -2.52
_refine_diff_density_rms         0.21
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1332
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         7391
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.001209
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method = Prince modified Chebychev polynomial, (Watkin, 1994)
W = [weight] * [1-(deltaF/6*sigmaF)^2]^2

12.6 -4.80 9.10
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0768
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0695
_reflns_limit_h_max              17
_reflns_limit_h_min              -15
_reflns_limit_k_max              18
_reflns_limit_k_min              -15
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                7391
_reflns_number_total             9438
_reflns_threshold_expression     I&gt;3.00u(I)
_cod_data_source_file            b306422k.txt
_cod_data_source_block           crystals_cif
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C32 H60 Cu2 N26 O5 W2 '
_cod_database_code               7013330