The crystallisation and packing of [Cr(C2O4Ag(PPh3)2)3] (Ph3P/Ph3PO) (MeNO2)4
Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.; CrystEngComm 10 (2008) 1044–; doi:10.1039/b803643h

data_7202077
_publ_section_title
;
 The crystallisation and packing of [Cr(C2O4Ag(PPh3)2)3] (Ph3P/Ph3PO)
 (MeNO2)4
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1044
_journal_paper_doi               10.1039/b803643h
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety
'C114 H90 Ag3 Cr O12 P6, C18 H15 O0.27 P,4(C H3 N O2)'
_chemical_formula_sum            'C136 H117 Ag3 Cr N4 O20.27 P7'
_chemical_formula_weight         2724.2
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_cell_angle_alpha                67.934(4)
_cell_angle_beta                 77.079(4)
_cell_angle_gamma                84.601(4)
_cell_formula_units_Z            2
_cell_length_a                   14.498(3)
_cell_length_b                   21.071(5)
_cell_length_c                   22.764(5)
_cell_measurement_temperature    150(2)
_cell_volume                     6281(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-II, (Johnson, 1976)'
_computing_publication_material  'Local programs'
_computing_structure_refinement  'RAELS, (Rae, 1996)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28450
_diffrn_reflns_theta_full        28.3
_diffrn_reflns_theta_max         28.3
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue-purple
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             2786.3
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.05
_refine_diff_density_min         -2.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.71
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     711
_refine_ls_number_reflns         25182
_refine_ls_R_factor_gt           0.066
_refine_ls_shift/su_max          0.074
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.103
_reflns_number_gt                21057
_reflns_number_total             28450
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b803643h.txt
_cod_data_source_block           did289
_cod_database_code               7202077