Crystallography Open Database

Information card for entry 4319083

4319082 << 4319083 >> 4319084

Preview

Coordinates	4319083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H27 Co N6 O12 S3
Calculated formula	C9 H27 Co N6 O12 S3
Title of publication	Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions
Authors of publication	Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6986 - 6996
a	7.903 ± 0.0016 Å
b	14.484 ± 0.003 Å
c	20.606 ± 0.004 Å
α	89.18 ± 0.03°
β	89.45 ± 0.03°
γ	77.56 ± 0.03°
Cell volume	2303 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.2094
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179270 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/90.	4319083.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319083.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319083.cif
15813	2011-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4319083 via cif-deposit CGI script.	4319083.cif