Crystal structure of di- μ -oxo-bis(bis(1,2-dihydroxyanthrachinonato)aluminium-(aquabis(dimethylformamide)calcium)), Al 2 O 4 (C 14 H 6 O 4 ) 4 Ca 2 (HCON(CH 3 ) 2 ) 4 (H 2 O) 2 , (alizarine complex)

Crystal structure of di- μ... Zeitschrift für Kristallographie 207, 185 188 (1993) © by R. Oldenbourg Verlag, München 1993 0044-2968/93 $3,00 + 0.00 Crystal structure of di-¿i-oxo-bis(bis(l,2dihydroxyanthrachinonato)aluminium(aquabis(dimethylformamide)calcium)), Al204(C14H604)4Ca2(HCON(CH3)2)4(H20)2, (alizarine complex) Gerhard-Domagk-Str. 1, Institut für Anorganische Chemie der Universität Bonn, D-53121 Bonn, Germany (Received November 30, 1992) Source of material: see ref 1. For electroneu- Synthesis and structure analogous to purpurine compound (see ref. 2). trality disordered H-s may be present. Triclinic, PY(No. 2), a 13.001(3) k,b= 13.828(3) Á, c 14.014(2) Á, a 64.08(1)°, ß 71.93(2)°, 63.97(2)°, V 2014.1 Ä3, Z 1, R 0.087. = = 186 Table 1. Parameters used for the X-ray data collection Diffractometer Rigaku AFC 6/MSC Mo Ka radiation type: Wave length: Criterion for unobserved reflections: Number of refined F0<4g(Fo) (0.7107 Á) Crystal characteristics: dark red rhombohedra, size 0.3 x 0.3 x 0.3 mm parameters: Scan mode: p: Structure solution program used: co/20 21.20 cm"1 SHELX Temperature of measurement: 293 K 60.33° 20max: Number of unique reflections: Table 2. Final ic coordinates and displacement parameters (in A2) Uiso/Un U22 U33 U12 U13 0.3139(1) 0.4060(2) 0.1617(6) 0.1247(6) -0.0375(7) -0.0732(7) -0.0150(8) -0.0321(8) -0.0630(8) -0.1213(8) 0.2568(5) 0.1830(6) 0.1365(6) 0.2826(6) 0.1564(6) 0.0334(6) 0.0805(6) 0.0602(7) 0.2338(6) 0.2513(6) 0.0561(7) 0.0919(7) 0.0226(5) 0.1949(5) 0.3092(4) 0.3556(4) 0.3169(6) 0.2428(6) http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Zeitschrift für Kristallographie - Crystalline Materials de Gruyter

Crystal structure of di- μ -oxo-bis(bis(1,2-dihydroxyanthrachinonato)aluminium-(aquabis(dimethylformamide)calcium)), Al 2 O 4 (C 14 H 6 O 4 ) 4 Ca 2 (HCON(CH 3 ) 2 ) 4 (H 2 O) 2 , (alizarine complex)

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Publisher
de Gruyter
Copyright
Copyright © 1993 by the
ISSN
2194-4946
eISSN
2196-7105
DOI
10.1524/zkri.1993.207.Part-1.185
Publisher site
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Abstract

Zeitschrift für Kristallographie 207, 185 188 (1993) © by R. Oldenbourg Verlag, München 1993 0044-2968/93 $3,00 + 0.00 Crystal structure of di-¿i-oxo-bis(bis(l,2dihydroxyanthrachinonato)aluminium(aquabis(dimethylformamide)calcium)), Al204(C14H604)4Ca2(HCON(CH3)2)4(H20)2, (alizarine complex) Gerhard-Domagk-Str. 1, Institut für Anorganische Chemie der Universität Bonn, D-53121 Bonn, Germany (Received November 30, 1992) Source of material: see ref 1. For electroneu- Synthesis and structure analogous to purpurine compound (see ref. 2). trality disordered H-s may be present. Triclinic, PY(No. 2), a 13.001(3) k,b= 13.828(3) Á, c 14.014(2) Á, a 64.08(1)°, ß 71.93(2)°, 63.97(2)°, V 2014.1 Ä3, Z 1, R 0.087. = = 186 Table 1. Parameters used for the X-ray data collection Diffractometer Rigaku AFC 6/MSC Mo Ka radiation type: Wave length: Criterion for unobserved reflections: Number of refined F0<4g(Fo) (0.7107 Á) Crystal characteristics: dark red rhombohedra, size 0.3 x 0.3 x 0.3 mm parameters: Scan mode: p: Structure solution program used: co/20 21.20 cm"1 SHELX Temperature of measurement: 293 K 60.33° 20max: Number of unique reflections: Table 2. Final ic coordinates and displacement parameters (in A2) Uiso/Un U22 U33 U12 U13 0.3139(1) 0.4060(2) 0.1617(6) 0.1247(6) -0.0375(7) -0.0732(7) -0.0150(8) -0.0321(8) -0.0630(8) -0.1213(8) 0.2568(5) 0.1830(6) 0.1365(6) 0.2826(6) 0.1564(6) 0.0334(6) 0.0805(6) 0.0602(7) 0.2338(6) 0.2513(6) 0.0561(7) 0.0919(7) 0.0226(5) 0.1949(5) 0.3092(4) 0.3556(4) 0.3169(6) 0.2428(6)

Journal

Zeitschrift für Kristallographie - Crystalline Materialsde Gruyter

Published: Jan 1, 1993

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