Crystallography Open Database

Information card for entry 4346258

Preview

Coordinates	4346258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H66 Mn4 N4 O12 S4
Calculated formula	C104 H66 Mn4 N4 O12 S4
SMILES	[Mn]12([S]([Mn]([S]1c1ccccc1)([n]1ccc(c3cc[n]([Mn]4([S]([Mn]([n]5ccc(c6cc[n]2cc6)cc5)([S]4c2ccccc2)(C#[O])(C#[O])C#[O])c2ccccc2)(C#[O])(C#[O])C#[O])cc3)cc1)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])C#[O].c1ccc2ccc3cccc4ccc1c2c34.c1ccc2ccc3cccc4ccc1c2c34.c1ccc2ccc3cccc4ccc1c2c34
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	10.6699 ± 0.0006 Å
b	35.774 ± 0.003 Å
c	13.2056 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5040.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 1 21
Hall space group symbol	P 2c
Residual factor for all reflections	0.16
Residual factor for significantly intense reflections	0.143
Weighted residual factors for significantly intense reflections	0.3701
Weighted residual factors for all reflections included in the refinement	0.3963
Goodness-of-fit parameter for all reflections included in the refinement	1.365
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.	4346258.cif