Crystallography Open Database

Information card for entry 4085392

Preview

Coordinates	4085392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C254 H236 N29 O77 Re12 Se12
Calculated formula	C254 H236 N29 O77 Re12 Se12
Title of publication	Multicomponent Self-Assembly of Thiolato- and Selenato-Bridged Ester-Functionalized Rhenium(I)-Based Trigonal Metallaprisms: Synthesis and Structural Characterization
Authors of publication	Nagarajaprakash, R.; Ashok Kumar, Chowan; Mobin, Shaikh M.; Manimaran, Bala.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	4
Pages of publication	724
a	14.3173 ± 0.0002 Å
b	23.7212 ± 0.0004 Å
c	24.7775 ± 0.0004 Å
α	114.078 ± 0.0015°
β	103.601 ± 0.0013°
γ	90.4509 ± 0.0012°
Cell volume	7416.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0616
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178742 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53.	4085392.cif
132965	2015-03-04	cif/ Updating files of 4085391, 4085392 Original log message: Adding full bibliography for 4085391--4085392.cif.	4085392.cif
130850	2015-02-04	cif/ Adding structures of 4085391, 4085392 via cif-deposit CGI script.	4085392.cif