Didentate phosphine ligands with alkenyl and alkynyl linker units as building blocks for dendrimer fixation
Ralf A. Findeis; Lutz H. Gade; J. Chem. Soc., Dalton Trans.  (2002) 3952–3960; doi:

data_7012045
_publ_section_title
;
 Didentate phosphine ligands with alkenyl and alkynyl linker units as
 building blocks for dendrimer fixation
;
_journal_issue                   21
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              3952
_journal_page_last               3960
_journal_year                    2002
_chemical_formula_moiety         'C31 H32 I2 P2 Pd'
_chemical_formula_sum            'C31 H32 I2 P2 Pd'
_chemical_formula_weight         826.76
_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'
_audit_creation_date             26-04-02
_cell_angle_alpha                90
_cell_angle_beta                 112.264(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9006(2)
_cell_length_b                   18.1476(4)
_cell_length_c                   14.2538(4)
_cell_measurement_temperature    173
_cell_volume                     3088.25(16)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
11822 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance =  36. mm.
Scan angle =  2.0 deg 1 scans of   60 sec per frame.
Data collection was divided into  1 set(s)
with the following starting angles and number of frames :

Set 1 Theta =    6.30 Omega =    0.00 Kappa =    0.00   90 frames
Friedel pairs were averaged. Internal R = 0.04
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11822
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.722
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9124
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.78
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.735
_refine_diff_density_min         -0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   20.017
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.063
_refine_ls_R_factor_gt           0.029
_refine_ls_shift/esd_mean        0.001
_refine_ls_shift/su_max          0.010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.585
_refine_ls_wR_factor_ref         0.031
_reflns_number_gt                4346
_reflns_number_total             7239
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b207051k.txt
_cod_data_source_block           compound_14b
_cod_original_cell_volume        3088.3(1)
_cod_database_code               7012045