Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties
Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer; Inorganic Chemistry 52 (2013) 13791–13802; doi:10.1021/ic402038x

data_4336857
_publ_contact_author_address
;
Department Chemie
Ludwig-Maximilians Universit\"at
Butenandtstra\&se 5-13 (Haus D)
D-81377 M\"unchen
Bundesrepublik Deutschland
;
_publ_contact_author_email       tmk@cup.uni-muenchen.de
_publ_contact_author_fax         '+49 89 2180 77492'
_publ_contact_author_name        'Thomas M. Klapo\"tke'
_publ_contact_author_phone       '+49 89 2180 77491'
_publ_section_title
;
 Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible
 Primary Explosives: Structures and Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13791
_journal_page_last               13802
_journal_paper_doi               10.1021/ic402038x
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         '     C2 H10 Cl2 N10 O4 Zn, 2(H2 O) '
_chemical_formula_sum            'C2 H14 Cl2 N10 O6 Zn'
_chemical_formula_weight         410.50
_chemical_name_common            Co(ANG)2(Cl)2(H2O)2
_chemical_name_systematic
'Bis(3-amino-1-nitroguanidine)zinc(II) chloride dihydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_author_name               'Joerg Stierstorfer'
_audit_creation_date
;
'Thu Mar 29 22:21:07 2012'
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CrysAlisPro, Oxford Diffraction Ltd.,
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_cell_angle_alpha                90.00
_cell_angle_beta                 119.386(5)
_cell_angle_gamma                90.00
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_cell_length_c                   7.8655(3)
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_cell_measurement_temperature    173(2)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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'ORTEP (M. N. Burnett, C. K. Johnson, ORTEP-III: Oak Ridge Thermal Ellipsoid
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_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 15.9809
_diffrn_measured_fraction_theta_full 0.996
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_diffrn_orient_matrix_UB_12      0.0303151000
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CrysAlisPro, Agilent Technologies,
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empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colorless
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_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_reflns         1309
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0232
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'calc w=1/[\s^2^(Fo^2^)+(0.0250P)^2^+0.3417P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            ic402038x_si_002_16.cif
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_cod_original_cell_volume        701.20(4)
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