A sodium ferrocenyl-phosphanide polymer based on racemic primary aminoalkyl(bisphosphanyl)ferrocene.
Limburg, Carolin; Gómez-Ruiz, Santiago; Hey-Hawkins, Evamarie; Dalton transactions (Cambridge, England : 2003) 39 (2010) 7217–7219; doi:10.1039/c0dt00568a

data_7026651
_publ_section_title
;
 A sodium ferrocenyl-phosphanide polymer based on racemic primary
 aminoalkyl(bisphosphanyl)ferrocene.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7217
_journal_page_last               7219
_journal_paper_doi               10.1039/c0dt00568a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C21 H33 Fe N Na2 O2 P2'
_chemical_formula_weight         495.25
_chemical_name_systematic
;
?
;
_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
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-08-02T16:33:49-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                74.681(3)
_cell_angle_beta                 69.882(3)
_cell_angle_gamma                70.925(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3812(4)
_cell_length_b                   10.9169(3)
_cell_length_c                   12.2737(4)
_cell_measurement_reflns_used    6766
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.4251
_cell_measurement_theta_min      2.8963
_cell_volume                     1216.21(8)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       '\w scans and \f scans'
_diffrn_orient_matrix_UB_11      0.0104895018
_diffrn_orient_matrix_UB_12      -0.0322053437
_diffrn_orient_matrix_UB_13      0.0556591058
_diffrn_orient_matrix_UB_21      -0.0711127172
_diffrn_orient_matrix_UB_22      -0.0044744937
_diffrn_orient_matrix_UB_23      0.0210680699
_diffrn_orient_matrix_UB_31      0.0218766704
_diffrn_orient_matrix_UB_32      -0.0616210692
_diffrn_orient_matrix_UB_33      -0.0186108542
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            28818
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.97692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.69
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         6032
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0715P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1209
_refine_ls_wR_factor_ref         0.1308
_reflns_number_gt                4030
_reflns_number_total             6032
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00568a.txt
_cod_data_source_block           p-1
_cod_original_cell_volume        1216.21(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7026651