Crystallography Open Database

Information card for entry 8102579

Preview

Coordinates	8102579.cif

Structure parameters

Chemical name	Crystal structure of 2,9-dimethyl-1,10-phenanthroline chromate, 2(C~14~H~12~N~2~)(Cr~2~O~7~) 2(H~2~O) 2H
Formula	C28 H30 Cr2 N4 O9
Calculated formula	C28 H30 Cr2 N4 O9
Title of publication	Crystal structure of bis(2,9-dimethyl-1,10-phenanthrolinium) dichromate dihydrate, [C14H13N2]2[Cr2O7] · 2H2O
Authors of publication	Hai-Xing Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	717
a	24.268 ± 0.002 Å
b	6.8564 ± 0.0008 Å
c	19.9561 ± 0.0018 Å
α	90°
β	120.6 ± 0.002°
γ	90°
Cell volume	2858.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 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.	8102579.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102579.cif
13318	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102579 via cif-deposit CGI script.	8102579.cif