Crystallography Open Database

Information card for entry 4346259

Preview

Coordinates	4346259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H80 Mn8 N8 O24 S8
Calculated formula	C120 H80 Mn8 N8 O24 S8
Title of publication	Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.
Authors of publication	Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8406 - 8414
a	18.8413 ± 0.0005 Å
b	17.2727 ± 0.0006 Å
c	19.2668 ± 0.0006 Å
α	90°
β	104.174 ± 0.003°
γ	90°
Cell volume	6079.3 ± 0.3 Å³
Cell temperature	120.05 ± 0.1 K
Ambient diffraction temperature	120.05 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
231694 (current)	2019-11-23	cif/ Adding structures of 4346256, 4346257, 4346258, 4346259 via cif-deposit CGI script.	4346259.cif