Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates
Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.; Acta Crystallographica Section B 52 (1996) 303–313; doi:10.1107/S0108768195011736

data_2101464
_publ_section_title
;
 Four polymorphs of a cobaloxime complex with different solid-state
 photoisomerization rates
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              303
_journal_page_last               313
_journal_paper_doi               10.1107/S0108768195011736
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C29 H33 Co1 N5 O4 P'
_chemical_formula_sum            'C29 H33 Co N5 O4 P'
_chemical_formula_weight         605.50
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           IntTabC
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_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   14.926(4)
_cell_length_b                   18.433(4)
_cell_length_c                   10.642(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     2927.9(17)
_diffrn_measurement_device       AFC-7S
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        2.78
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_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.713
_exptl_absorpt_correction_type   '\y scan'
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.645
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.981
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_refine_ls_number_reflns         3097
_refine_ls_R_factor_obs          0.0663
_refine_ls_shift/esd_max         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;w = 1/[\s^2^(F~o~^2^) + (0.0724P)^2^] where P = (F~o~^2^ +
2F~c~^2^)/3
;
_refine_ls_wR_factor_obs         0.1437
_reflns_number_observed          1864
_reflns_number_total             3769
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            as0694.cif
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