μ-Furan-2,5-diylbis(methoxycarbene)-bis[pentacarbonylchromium(0)]
Liles, David C; Lotz, Simon; Acta Crystallographica Section E 62 (2006) m331–m334; doi:10.1107/S1600536806001413

data_2207967
_publ_section_title
;
 \m-Furan-2,5-diylbis(methoxycarbene)-bis[pentacarbonylchromium(0)]
;
_journal_coeditor_code           BD6018
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m331
_journal_page_last               m334
_journal_paper_doi               10.1107/S1600536806001413
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cr2 (C8 H8 O3) (C O)10]'
_chemical_formula_moiety         'C18 H8 Cr2 O13'
_chemical_formula_sum            'C18 H8 Cr2 O13'
_chemical_formula_weight         536.24
_chemical_name_systematic
;
\m-Furan-2,5-diylbis(methoxycarbene)-bis[pentacarbonylchromium(0)]
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.4540(10)
_cell_angle_beta                 93.9650(10)
_cell_angle_gamma                100.7850(10)
_cell_formula_units_Z            2
_cell_length_a                   6.3656(4)
_cell_length_b                   13.5100(10)
_cell_length_c                   13.9374(10)
_cell_measurement_reflns_used    3938
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.180
_cell_measurement_theta_min      2.824
_cell_volume                     1057.31(13)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and POV-Ray (Carson or Cason,
2004)
;
_computing_publication_material  SHELXL97
_computing_structure_refinement
;
SHELXTL and SHELXL97 (Sheldrick, 1997)
;
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6293
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.096
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            'dark purple '
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4304
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0574P)^2^+0.3404P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                3678
_reflns_number_total             4304
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bd6018.cif
_cod_data_source_block           2
_cod_database_code               2207967
_cod_database_fobs_code          2207967