Crystallography Open Database

Information card for entry 4085391

Preview

Coordinates	4085391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.5 H42 N3 O15 Re3 S3
Calculated formula	C58.5 H42 N3 O15 Re3 S3
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	10.6581 ± 0.0002 Å
b	35.7402 ± 0.0006 Å
c	30.3489 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	11560.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4085391.cif
132965	2015-03-04	cif/ Updating files of 4085391, 4085392 Original log message: Adding full bibliography for 4085391--4085392.cif.	4085391.cif
130850	2015-02-04	cif/ Adding structures of 4085391, 4085392 via cif-deposit CGI script.	4085391.cif