Crystallography Open Database

Information card for entry 4346256

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Coordinates	4346256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H40 Mn4 N4 O14 S4
Calculated formula	C50 H40 Mn4 N4 O14 S4
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	9.172 ± 0.0004 Å
b	11.5283 ± 0.0007 Å
c	14.0257 ± 0.0007 Å
α	75.925 ± 0.005°
β	87.244 ± 0.004°
γ	69.475 ± 0.005°
Cell volume	1346.07 ± 0.13 Å³
Cell temperature	149.9 ± 0.2 K
Ambient diffraction temperature	149.9 ± 0.2 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	0.068
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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