Crystallography Open Database

Information card for entry 7009413

Preview

Coordinates	7009413.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cobalt(III)hexamine[aquo(samariumtricarbonato)]tetraaquosolvate
Formula	C3 H28 Co N6 O14 Sm
Calculated formula	C3 Co N6 O14 Sm
Title of publication	First single-crystal X-ray diffraction study of a lanthanide tricarbonate complex: [Co(NH3)6][Sm(CO3)3(H2O)]·4H2O
Authors of publication	Clark, David L.; Donohoe, Robert J.; Gordon, John C.; Gordon, Pamela L.; Keogh, D. Webster; Scott, Brian L.; Tait, C. Drew; Watkin, John G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	13
Pages of publication	1975
a	21.895 ± 0.002 Å
b	6.7568 ± 0.0006 Å
c	14.5776 ± 0.0014 Å
α	90°
β	125.668 ± 0.002°
γ	90°
Cell volume	1752.1 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
179798 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/94.	7009413.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009413.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009413.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009413.cif