Novel heterobimetallic ruthenium(III)-cobalt(II) compounds constructed from trans-[Ru(III)(Q)2(CN)2](-) (Q = 8-quinolinolato): synthesis, structures and magnetic properties.
Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Yiu, Shek-Man; Lee, Gene-Hsiang; Peng, Shie-Ming; Gao, Song; Lau, Tai-Chu; Chemical communications (Cambridge, England) 47 (2011) 8694–8696; doi:10.1039/c1cc12446c

data_7112665
_publ_section_title
;
 Novel heterobimetallic ruthenium(III)-cobalt(II) compounds constructed
 from trans-[Ru(III)(Q)2(CN)2](-) (Q = 8-quinolinolato): synthesis,
 structures and magnetic properties.
;
_journal_issue                   30
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8694
_journal_page_last               8696
_journal_paper_doi               10.1039/c1cc12446c
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         '2(C10 H6 N2 O Ru0.5), 2(C12 H10 P0.5)'
_chemical_formula_sum            'C44 H32 N4 O2 P Ru'
_chemical_formula_weight         780.78
_chemical_name_systematic
;
?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-02-25
_audit_creation_method
;
Olex2 1.1
(compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_cell_angle_alpha                90.0
_cell_angle_beta                 93.451(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   16.4737(10)
_cell_length_b                   7.4234(5)
_cell_length_c                   28.4371(16)
_cell_measurement_reflns_used    4434
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      28.0577
_cell_measurement_theta_min      3.1737
_cell_volume                     3471.3(4)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.32 (release 27-01-2009 CrysAlis171 .NET)
(compiled Jan 27 2009,14:17:37)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.32 (release 27-01-2009 CrysAlis171 .NET)
(compiled Jan 27 2009,14:17:37)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.32 (release 27-01-2009 CrysAlis171 .NET)
(compiled Jan 27 2009,14:17:37)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
1 omega -92.00 -60.00 0.5000 17.0000
omega____ theta____ kappa____ phi______ frames
- -15.4471 179.0000 270.0000 64

2 omega -37.00 10.00 0.5000 17.0000
omega____ theta____ kappa____ phi______ frames
- -15.4471 77.0000 300.0000 94

3 omega -88.00 58.00 0.5000 17.0000
omega____ theta____ kappa____ phi______ frames
- -15.4471 0.0000 90.0000 292

4 omega -41.00 57.00 0.5000 17.0000
omega____ theta____ kappa____ phi______ frames
- -15.4471 37.0000 180.0000 196

5 omega -86.00 15.00 0.5000 17.0000
omega____ theta____ kappa____ phi______ frames
- -15.4471 -77.0000 60.0000 202

6 omega -86.00 -16.00 0.5000 17.0000
omega____ theta____ kappa____ phi______ frames
- -15.4471 -77.0000 270.0000 140

7 omega -11.00 55.00 0.5000 17.0000
omega____ theta____ kappa____ phi______ frames
- 15.9940 -93.0000 321.0000 132
;
_diffrn_measurement_device_type
'Goniometer Xcalibur, detector: Sapphire3 (Gemini ultra Mo)'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0039162258
_diffrn_orient_matrix_UB_12      0.0842129867
_diffrn_orient_matrix_UB_13      -0.0117391235
_diffrn_orient_matrix_UB_21      0.0296922266
_diffrn_orient_matrix_UB_22      -0.0271844167
_diffrn_orient_matrix_UB_23      -0.0155999604
_diffrn_orient_matrix_UB_31      -0.0310288357
_diffrn_orient_matrix_UB_32      -0.0364923832
_diffrn_orient_matrix_UB_33      -0.0156060540
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_unetI/netI     0.1447
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            17636
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         3.30
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.544
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.32 (release 27-01-2009 CrysAlis171 .NET)
(compiled Jan 27 2009,14:17:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3080
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0736
_reflns_number_gt                1963
_reflns_number_total             3080
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12446c.txt
_cod_data_source_block           1
_cod_original_cell_volume        3471.3(3)
_cod_database_code               7112665
_cell_oxdiff_angle_alpha         89.982(4)
_cell_oxdiff_angle_beta          117.488(6)
_cell_oxdiff_angle_gamma         89.978(5)
_cell_oxdiff_length_a            31.989(2)
_cell_oxdiff_length_b            7.4239(4)
_cell_oxdiff_length_c            16.4812(9)
_cell_oxdiff_measurement_reflns_used 4364
_cell_oxdiff_volume              3472.1(3)
_reflns_odcompleteness_completeness ' 99.43'
_reflns_odcompleteness_iscentric ' 1'
_reflns_odcompleteness_theta     ' 24.97'