Crystal structure of 'calcium sulphosilicate', Ca5(SiO4)2SO4

1974 ◽  
Vol 27 (3) ◽  
pp. 657 ◽  
Author(s):  
PD Brotherton ◽  
JM Epstein ◽  
MW Pryce ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Lattice Parameters ◽  
Crystal Data ◽  
Full Matrix ◽  
Lime Kiln

The crystal structure of the title compound, obtained as a coating from a lime kiln, has been shown to be isostructural with that of the mineral silicocarnotite and refined by full-matrix least-squares methods (570 independent diffractometer reflections). The lattice parameters of the latter compound were used to initiate the procedure, the final residual being 0.042. The correspondence in detail between the two structures is close. Crystal data: orthorhombic, Pcmn, a = 10.182(1), b = l5.398(2), c = 6.8500(9) �, Z = 4.

Crystal structure of baylissite, K2Mg(CO3)2,4H2O

1977 ◽  
Vol 30 (6) ◽  
pp. 1379 ◽  
Author(s):  
RB Bucat ◽  
JM Patrick ◽  
AH White ◽  
AC Willis
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Magnesium Atom ◽  
Carbonate Group ◽  
Full Matrix ◽  
X Ray

The crystal structure of the title compound has been determined by X- ray diffraction at 295 K, and refined by full-matrix least squares to a residual of 0.045 for 1153 ?observed? reflections. ��� Crystal data: monoclinic, P21/n, a = 11.404(4), b = 6.228(2), c = 6.826(2) Ǻ, β = 99.66(2)�, Z = 2. ��� The environment of the magnesium atom, located on the inversion centre, is a compressed octahedron (Mg-O, 2.054(2), 2.093(2), 2.107(3) Ǻ). The environment of the potassium is abnormally sparse, there being only five K...O contacts < 3.0 Ǻ. The carbonate group is symmetrical (C-O, 1.282(4)-1.298(3); O-C-O,119.6(3)-120.4(2)�).

Crystal structure of Bis(hydrazine)bis(hydrazinecarboxylato)cobalt(II)

1975 ◽  
Vol 28 (4) ◽  
pp. 739 ◽  
Author(s):  
EN Maslen ◽  
CL Raston ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Cobalt Atom ◽  
Crystal Data ◽  
Full Matrix ◽  
X Ray

The crystal structure of the title compound [Co(N2H4)2(NH2NHCO2)2] has been determined at 295 K from X-ray diffractometer data and refined by full-matrix least squares to a residual of 0.059 for the 4985 independent reflections within the limit 2θ < 100� (Mo Kα radiation). Crystal data: monoclinic, P21/a, a 9.551(2), b 7.352(2), c 8.110(1) Ǻ, β 122.38(1)�, Z 2. ��� The compound is isostructural with the zinc analogue. The cobalt atom lies on a centre of symmetry; it is six-coordinate, being surrounded by monodentate hydrazine (Co-N, 2.178(2) Ǻ) and bidentate hydrazinecarboxylate ligands (Co-O, 2.064(2) Ǻ; Co-N, 2.198(2) Ǻ).

Crystal structure of Tetracyclo[5,3,1,12,6,04,9]dodecane (iceane)

1977 ◽  
Vol 30 (8) ◽  
pp. 1837 ◽  
Author(s):  
DPG Hamon ◽  
CL Raston ◽  
GF Taylor ◽  
JN Varghese ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rigid Body ◽  
Least Squares ◽  
Title Compound ◽  
Molecular Geometry ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Hexagonal Close Packed

The crystal structure of the title compound, C12H18, has been determined at 295 K by X-ray diffraction and refined by full-matrix least squares to a residual of 0.049 for 216 ?observed? reflections; molecular geometry has been corrected for the effects of thermal motion using a rigid body approximation. Crystals are hexagonal, P63/m, a = 6.582(1), c = 11.843(3) Ǻ, Z = 2, the molecules occupying a hexagonal close- packed array.

Crystal Structure of N,N,N′,N′-Tetrakis-(trimethylsilyl)ethane-1,2-diamine

1985 ◽  
Vol 38 (11) ◽  
pp. 1729 ◽  
Author(s):  
LM Engelhardt ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
Full Matrix ◽  
X Ray ◽  
Methylene Groups

The title compound, [{(Me3Si)2NCH2}2], has been structurally characterized by a single-crystal X-ray structure determination at 130 K, being refined by full-matrix least-squares to a residual of 0.057 for 1244 'observed' reflections. Crystals are monoclinic, C2/c, a 21.00(2), b 9.089(8), c 11.744(9) Ǻ, β 92.31(7)°, Z 4. Molecules lie on inversion centres, but with some disorder of the methylene groups. Si -N are 1.735 Ǻ, and N-CH2 1.53(1) for the major fragment (70%). The nitrogen in the major fragment is approximately trigonal planar; Si -N- Si 124.6(3)°, Si -N-C 117.5(4), 115.5(4)°.

The crystal structure of 1-(Na-trifluoracetylalanyl)-indoline

1993 ◽  
Vol 208 (2) ◽  
Author(s):  
Raghuvir K. Arni ◽  
Virginia C. A. Martins ◽  
Yvonne P. Mascarenhas ◽  
Gilberto Goissis ◽  
C. A. Kavounis
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Direct Methods ◽  
Full Matrix ◽  
Compound C

AbstractThe crystal structure of the title compound, CThe structure was solved by direct methods and refined by full-matrix least-squares calculations to a final residual of 0.051 for 1030 observed reflections [

Structural studies of organoboron compounds. XXXV. 4,8-Diethyl-2,2,6,6-tetraphenyl-1,3,5,7-tetraoxa-4,8-diazonia- 2,6-diborata-1,2,3,5,6,7-hexahydronaphthalene

1989 ◽  
Vol 67 (10) ◽  
pp. 1644-1649 ◽  
Author(s):  
Wolfgang Kliegel ◽  
Mahmood Tajerbashi ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Direct Methods ◽  
Organoboron Compound ◽  
Boron Compound ◽  
Structural Studies ◽  
Full Matrix ◽  
Binding Strength ◽  
The Mean

The reaction of Ν,Ν′-diethyloxalohydroxamic acid with oxybis(diphenylborane) yields the title compound. Crystals of 4,8-diethyl-2,2,6,6-tetraphenyl-1,3,5,7-tetraoxa-4,8-diazonia-2,6-diborata-1,2,3,5,6,7-hexahydronaphthalene are monoclinic, a = 14.3405(9), b = 14.3053(5), c = 14.9301(8) Å, β = 116.136(4)°, Z = 4, space groupP21/n. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.038 and Rw = 0.038 for 3501 reflections with I ≥ 3σ(I). The molecule has a novel bis-six-membered binuclear chelate structure, the Ph2B moieties each being coordinated by (N)O and (C=)O oxygen atoms from different hydroxamate groups. The mean libration-corrected bond distances (C=)O—B, 1.587 Å, (N)O—B, 1.511 Å, and B—C, 1.602 Å, represent the weakest overall binding strength of an O,O-chelating ligand with respect to the Ph2B moiety yet observed for a six-membered O—B—O chelate. Keywords: crystal structure, boron compound, organoboron compound.

Crystal structure of 17,18,19-trisnorstemodan-3,13-dione

1984 ◽  
Vol 62 (9) ◽  
pp. 1828-1830 ◽  
Author(s):  
Stephen V. Evans ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Direct Methods ◽  
Membered Ring ◽  
Full Matrix ◽  
Bond Lengths ◽  
Compound C ◽  
Tetracyclic System ◽  
Atom Bond

Crystals of the title compound, C17H24O2, are monoclinic, P21/c, a = 10.395(2), b = 10.980(1), c = 13.181(3) Å, β = 113.55(1)°, Z = 4. The structure was solved by direct methods and refined by full-matrix least-squares to R = 0.051 for 1622 reflections with I ≥ 3σ(I). The molecule contains a tetracyclic system of three six-membered rings and one five-membered ring; the structure exhibits disorder of one C atom. Bond lengths and angles are normal.

Structural and kinetic trans effects in cobalt(III) complexes with cobalt-sulfur bonds. The crystal structure of trans-Bis(ethylenediamine)imidazolesulfitocobalt(III) perchlorate dihydrate

1978 ◽  
Vol 31 (5) ◽  
pp. 993 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
JK Yandell
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Internuclear Distances ◽  
Very High

The crystal structure of the title compound, [Co(C2N2H8)2(C3N2H4)(SO3)] ClO4,2H2O has been determined by X-ray diffraction, using diffractometer data, at 295 K, and refined by full-matrix least squares to a residual of 0.071 for 3425 ?observed? reflections. Crystals are orthorhombic, Pcmn, a 15.822(9), b 11.924(6), c 9.261(2) Ǻ, Z 4. The imidazole and sulfite ligands are trans in the cation, which has m symmetry (Co-S 2.223(2); Co-N 2.008(4) Ǻ). <Co-N(en)> is 1.964Ǻ. The apparent thermal motion of the sulfite about the Co-S axis is very high. The internal internuclear distances are compared to the data reported for series of similar complexes in which trans effects are observed.

Crystal structure of Hexakis(hydroxylamine-N)nickel(II) sulphate

1974 ◽  
Vol 27 (3) ◽  
pp. 503 ◽  
Author(s):  
LM Engelhardt ◽  
PWG Newman ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Heavy Atom ◽  
Crystal Data ◽  
Heavy Atom Method ◽  
Block Diagonal

The crystal structure of the title compound, [Ni(NH20H)6] SO4, has been determined at 298 K by photographic methods; the structure was solved by the heavy atom method and refined by block diagonal least-squares procedures to a residual of 0.095 (1166 independent reflections). Crystal data: triclinic, PI, a 14.026(3), b 6.741(2), c 6.358(1) �, α-98.35(2), β 79.57(1), γ 95.06(2)�, Z 2. In the two crystallographically independent centrosymmetric cations, the nickel atoms are octahedrally coordinated by the ligand nitrogen atoms, (Ni-N), 2.12 �, <N-O), 1.44 �. The Ni-N-O angles range from 110 to 117�. The sulphate geometry is normal and undistorted.

Crystal structure of Tris(N,N-diethyldithiocarbamato)thallium(III)

1978 ◽  
Vol 31 (9) ◽  
pp. 1927 ◽  
Author(s):  
DL Kepert ◽  
CL Raston ◽  
NK Roberts ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Electron Pair ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound, [Tl(S2CNEt2)3], has been determined by single-crystal X-ray diffraction methods at 295 K and refined by full-matrix least squares to a residual of 0.050 for 2517 'observed' reflections. Crystals are monoclinic, with space group A2/a, a 14.789(7), b 10.428(4), c 18.207(9) Ǻ, β 118.11(4)°, Z 4, and are isostructural with those of the previously determined gallium and indium analogues, the molecule having 2 symmetry with <Tl-S> 2.666 Ǻ. As in the dimethyl/thallium analogue, the departure of the TlS6 core symmetry from 3 is large and is examined in terms of electron-pair repulsion theory.

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