data_2004776
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	887
_journal_page_last    	889
_publ_section_title    	
;
Tetrakis(3-methylpyridine)-1\kN,2\kN,3\kN,4\kN-bis(\m~4~-pentathio)-
1:2\k^2^S^1^,2\kS^4^,3\kS^2^,3:4\k^2^S^5^;
1\kS^4\\prime^,1:3\k^2^S^1\\prime^,2:4\k^2^S^5\\prime^,4\kS^2\\prime^-
tetracopper(I) Bis(3-methylpyridine) Solvate
;
_chemical_formula_iupac    	'[Cu4 (S5)2 (C6 H7 N1)4], 2C6 H7 N1'
_chemical_formula_moiety    	'C24 H28 Cu4 N4 S10 , 2C6 H7 N'
_chemical_formula_sum    	'C36 H42 Cu4 N6 S10'
_chemical_formula_weight    	1133.58
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'x,-y,1/2+z'
'-x,-y,-z'
'-x,y,1/2-z'
'1/2+x,1/2+y,z'
'1/2+x,1/2-y,1/2+z'
'1/2-x,1/2-y,-z'
'1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'C 1 2/c 1'
_cell_length_a    	27.395(8)
_cell_length_b    	10.804(3)
_cell_length_c    	19.201(3)
_cell_angle_alpha    	90
_cell_angle_beta    	126.54(2)
_cell_angle_gamma    	90
_cell_volume    	4565.8
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.65
_cell_measurement_temperature    	296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Cu(1) -0.08583(4) 0.0059(1) 0.14738(6) 0.042(1)
Cu(2) 0.02703(4) 0.1683(1) 0.17501(6) 0.042(2)
S(1) -0.10128(8) 0.1996(2) 0.1782(1) 0.039(2)
S(2) -0.05235(9) 0.3019(2) 0.1482(1) 0.042(5)
S(3) 0 0.4230(3) 0.25 0.049(1)
S(4) -0.01191(8) -0.0226(2) 0.1258(1) 0.037(9)
S(5) -0.05119(8) -0.1269(2) 0.2657(1) 0.040(7)
S(6) 0 -0.2476(3) 0.25 0.046(9)
N(1) -0.1646(3) -0.0749(7) 0.0427(4) 0.044(6)
N(2) 0.0500(3) 0.2755(7) 0.1084(4) 0.045(8)
N(3) -0.3693(5) 0.467(1) 0.1244(6) 0.103(1)
C(11) -0.2199(4) -0.0345(9) 0.0137(5) 0.052(2)
C(12) -0.2735(4) -0.086(1) -0.0599(6) 0.063(7)
C(13) -0.2666(5) -0.183(1) -0.1017(6) 0.068(8)
C(14) -0.2078(4) -0.226(1) -0.0683(6) 0.071(3)
C(15) -0.1593(4) -0.171(1) 0.0019(5) 0.058(6)
C(16) -0.3347(5) -0.035(1) -0.0928(9) 0.098(1)
C(21) 0.0824(4) 0.3793(9) 0.1477(5) 0.049(6)
C(22) 0.0937(4) 0.469(1) 0.1069(6) 0.061(1)
C(23) 0.0703(4) 0.447(1) 0.0202(5) 0.065(1)
C(24) 0.0386(4) 0.341(1) -0.0181(5) 0.067(5)
C(25) 0.0278(4) 0.2564(9) 0.0263(5) 0.050(9)
C(26) 0.1288(5) 0.585(1) 0.1539(8) 0.095(5)
C(31) -0.3505(5) 0.388(1) 0.0859(6) 0.067(5)
C(32) -0.2948(4) 0.335(1) 0.1317(5) 0.061(2)
C(33) -0.2562(5) 0.363(1) 0.2216(8) 0.096(8)
C(34) -0.2718(5) 0.434(1) 0.2613(6) 0.086(6)
C(35) -0.3260(5) 0.490(1) 0.2149(7) 0.095(5)
C(36) -0.2743(5) 0.249(1) 0.0939(6) 0.082(7)
H1 -0.223 0.0305 0.044 5.2
H2 -0.302 -0.2189 -0.152 6.8
H3 -0.203 -0.2933 -0.096 7.0
H4 -0.120 -0.2000 0.024 5.7
H5 -0.330 0.0309 -0.056 9.3
H6 -0.354 -0.0029 -0.150 9.3
H7 -0.359 -0.0977 -0.094 9.3
H8 0.099 0.3918 0.207 5.1
H9 0.077 0.5048 -0.010 6.5
H10 0.023 0.3249 -0.077 6.5
H11 0.004 0.1844 -0.003 5.0
H12 0.140 0.5831 0.211 9.2
H13 0.164 0.5894 0.155 9.2
H14 0.104 0.6554 0.125 9.2
H15 -0.378 0.3726 0.025 6.8
H16 -0.216 0.3288 0.256 9.6
H17 -0.245 0.4447 0.322 8.3
H18 -0.336 0.5481 0.243 9.4
H19 -0.305 0.2397 0.034 8.3
H20 -0.239 0.2805 0.103 8.3
H21 -0.266 0.1702 0.121 8.3