Crystallography Open Database

Information card for entry 8102326

Preview

Coordinates	8102326.cif

Structure parameters

Chemical name	diaqua-dichloro(1,10-phenanthroline)-chromium(iii) chloride dihydrate
Formula	C12 H16 Cl3 Cr N2 O4
Calculated formula	C12 H16 Cl3 Cr N2 O4
Title of publication	Crystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl · 2H2O
Authors of publication	Yong-Li Yang; Feng-Ge Li; Qing-Juan Zhang; Yan-Feng Ding; Yu-Heng Deng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	409
a	6.851 ± 0.002 Å
b	11.716 ± 0.004 Å
c	21.283 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1708.3 ± 1 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102326.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102326.cif
13065	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102326 via cif-deposit CGI script.	8102326.cif