Bis[μ-<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)ethene-1,2-diamido]-1,4(η^2^);1:2κ^4^<i>N</i>:<i>N</i>;3:4κ^4^<i>N</i>:<i>N</i>-bis(diethyl ether)-1κ<i>O</i>,4κ<i>O</i>-di-μ-hydrido-2:3κ^4^<i>H</i>:<i>H</i>-2,3-dichromium(II)-1,4-dilithium(I) pentane hemisolvate
Peitz, Stephan; Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe; Acta Crystallographica Section E 66 (2010) m296–m297; doi:10.1107/S160053681000560X

data_2225292
_publ_section_title
;Bis[\m-<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)ethene-1,2-diamido]-1,4(\h^2^);1:2\k^4^<i>N</i>:<i>N</i>;3:4\k^4^<i>N</i>:<i>N</i>-bis(diethyl
 ether)-1\k<i>O</i>,4\k<i>O</i>-di-\m-hydrido-2:3\k^4^<i>H</i>:<i>H</i>-2,3-dichromium(II)-1,4-dilithium(I)
 pentane hemisolvate
;
_journal_coeditor_code           IM2181
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m296
_journal_page_last               m297
_journal_paper_doi               10.1107/S160053681000560X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Cr2 Li2 (C26 H36 N2)2 H2 (C4 H10 O)2], 0.5C5 H12'
_chemical_formula_moiety         'C60 H94 Cr2 Li2 N4 O2, 0.5(C5 H12)'
_chemical_formula_sum            'C62.5 H100 Cr2 Li2 N4 O2'
_chemical_formula_weight         1057.34
_chemical_name_common
;
Dilithium-bis-diethyl ether-{bis-[N,N'-bis(2,6-diisopropylphenyl)
ethene-1,2-diamido]-1\k^2^N,N';2\k^2^N,N'
(di-\m-dihydrido-1:2\k^4^H:H)dichromate(II)} pentane solvate (1/0.5)
;
_chemical_name_systematic
;
Bis[\m-<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)ethene-1,2-diamido]-
1,4(\h^2^);1:2\k^4^<i>N</i>:<i>N</i>;3:4\k^4^<i>N</i>:<i>N</i>-bis(diethyl
ether)-1\k<i>O</i>,4\k<i>O</i>-di-\m-hydrido-2:3\k^4^<i>H</i>:<i>H</i>-
2,3-dichromium(II)-1,4-dilithium(I) pentane hemisolvate
;
_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_creation_method           SHELXL-97
_cell_angle_alpha                67.827(4)
_cell_angle_beta                 75.039(3)
_cell_angle_gamma                66.773(3)
_cell_formula_units_Z            1
_cell_length_a                   12.2577(5)
_cell_length_b                   12.3525(6)
_cell_length_c                   12.9708(6)
_cell_measurement_reflns_used    19482
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.11
_cell_measurement_theta_min      1.82
_cell_volume                     1657.46(14)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2005)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       \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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23828
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.367
_exptl_absorpt_correction_T_max  0.9045
_exptl_absorpt_correction_T_min  0.8091
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE and X-RED32; Stoe & Cie, 2005)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.059
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             573
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.690
_refine_diff_density_min         -0.586
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         6500
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0517
_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^)+(0.1013P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1512
_reflns_number_gt                4770
_reflns_number_total             6500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            im2181.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C62.50 H100 Cr2 Li2 N4 O2'
_cod_database_code               2225292
_cod_database_fobs_code          2225292