An iron(II) dihydrogen hydrido complex containing the tripodal tetraphosphine ligand P(CH2CH2PMe2)3.
Field, Leslie D.; Li, Hsiu L.; Messerle, Barbara A.; Smernik, Ronald J.; Turner, Peter; Dalton transactions (Cambridge, England : 2003)  (2004) 1418–1423; doi:10.1039/b401954g

data_7014141
_publ_section_title
;
 An iron(II) dihydrogen hydrido complex containing the tripodal
 tetraphosphine ligand P(CH2CH2PMe2)3.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1418
_journal_page_last               1423
_journal_paper_doi               10.1039/b401954g
_journal_year                    2004
_chemical_formula_sum            'C18 H41 Cl Fe O2 P4'
_chemical_formula_weight         504.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 103.820(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.502(2)
_cell_length_b                   9.1318(15)
_cell_length_c                   19.697(3)
_cell_measurement_reflns_used    963
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.705
_cell_measurement_theta_min      3.088
_cell_volume                     2532.9(7)
_computing_cell_refinement       'SAINT (Bruker,1995)'
_computing_data_collection       'SMART (Bruker,1995)'
_computing_data_reduction        'SAINT and XPREP (Bruker 1995)'
_computing_molecular_graphics
;
teXsan for Windows (MSC, 1997)
xtal 3.6 (Hall,du Boulay, D.J. & Olthof-Hazekamp, R. 1999)
ORTEPII  (Johnson,C.K., 1976).
WinGX (Farrugia, 1999)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_crystal_treatment
;
attached with Exxon Paratone N, to a short length
of fibre supported on a thin piece of copper wire
inserted in a copper mounting pin.  The crystal was
quenched in a cold nitrogen gas stream from an
Oxford Cryosystems Cryostream.
;
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24965
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        0.01
_diffrn_standards_number         128
_exptl_absorpt_coefficient_mu    0.964
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.693
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
Gaussian (Coppens et al., 1965)
XPREP  (Bruker, 1995)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.398
_exptl_crystal_size_mid          0.294
_exptl_crystal_size_min          0.116
_refine_diff_density_max         1.255
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.242
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         6050
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.246
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0934
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+5.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2483
_refine_ls_wR_factor_ref         0.2708
_reflns_number_gt                3945
_reflns_number_total             6050
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b401954g.txt
_cod_data_source_block           ldf131
_cod_original_cell_volume        2532.8(7)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_database_code               7014141