Crystallography Open Database

Information card for entry 4505339

Preview

Coordinates	4505339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Mn N12 O6 S6
Calculated formula	C34 H36 Mn N12 O6 S6
Title of publication	Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing
Authors of publication	Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	4
Pages of publication	851
a	10.0367 ± 0.0009 Å
b	11.7471 ± 0.001 Å
c	19.6587 ± 0.0017 Å
α	100.199 ± 0.002°
β	96.287 ± 0.002°
γ	93.394 ± 0.002°
Cell volume	2260.1 ± 0.3 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	0.1213
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
179588 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53.	4505339.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505339.cif
51394	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505338, 4505339 via cif-deposit CGI script.	4505339.cif