Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 84

Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 85
ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=48185 Help
TitleStructural Characterisation of trans-(Cr (N H3)4 (H2 O) Cl) Cl2 and trans-(Cr (N H3)4 Cl2) I.
AuthorsBrencic, J.V.;Leban, I.;Zule, J.
ReferenceZeitschrift fuer Anorganische und Allgemeine Chemie (1985) 521, 199-206
Link XRef SCOPUS SCIRUS Google
CompoundH14 Cl3 Cr1 N4 O1 - Tetraammineaquachlorochromium chloride [AXY3Z4] [mP46] [f2 e5] []
Cell6.556(1), 10.630(5), 6.729(2), 90., 96.15(3), 90.
P121/M1 (11) V=466.25
RemarksR=0.023000 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
Cr1(2e)3
Cl1(2e)-1
Cl2(4f)-1
N1(4f)-3
H1(4f)1
H2(4f)1
H3(4f)1
N2(2e)-3
H4(4f)1
H5(2e)1
N3(2e)-3
H6(4f)1
H7(2e)1
O1(2e)-2
H8(4f)1
0.1773(1)0.250.2246(1)01
-.0635(1)0.25-.0500(1)01
0.6861(1)0.5175(1)0.2822(1)01
0.1831(3)0.4444(2)0.2216(3)01
0.206(6)0.478(4)0.104(6)0.0997(55)1
0.049(6)0.471(4)0.228(5)0.0997(55)1
0.262(6)0.467(4)0.313(6)0.0997(55)1
-.0549(4)0.250.4136(4)01
-.146(5)0.188(3)0.378(6)0.0997(55)1
-.011(9)0.250.556(8)0.0997(55)1
0.4200(4)0.250.0530(4)01
0.401(6)0.194(3)0.035(5)0.0997(55)1
0.459(9)0.250.173(8)0.0997(55)1
0.3880(4)0.250.4674(3)01
0.3760.188(3)0.5370.0997(55)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cr1(2e)3
Cl1(2e)-1
Cl2(4f)-1
N1(4f)-3
H1(4f)1
H2(4f)1
H3(4f)1
N2(2e)-3
H4(4f)1
H5(2e)1
N3(2e)-3
H6(4f)1
H7(2e)1
O1(2e)-2
H8(4f)1
0.0216(2)0.0170(2)0.0197(2)00.0000(1)0
0.0279(3)0.0311(4)0.0261(3)0-.0037(2)0
0.0322(3)0.0284(3)0.0314(3)-.0015(2)0.0041(2)0.0015(2)
0.0301(9)0.0204(8)0.0329(9)0.0023(7)-.0032(7)-.0003(7)
000000
000000
000000
0.0307(13)0.0311(14)0.0288(12)00.0065(10)0
000000
000000
0.0312(13)0.0379(15)0.0305(13)00.0079(10)0
000000
000000
0.0373(11)0.0223(10)0.0275(10)0-.0076(8)0
000000

Current PHP version: 4.3.8 - Current MySQL version: 4.0.21
Demo database
(The Full database will be used, if you are licensed, after the first query is entered)

Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2015 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).