Crystallography Open Database

Information card for entry 4501196

Preview

Coordinates	4501196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H32 Mn2 N8 O16
Calculated formula	C48 H32 Mn2 N8 O16
Title of publication	A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework
Authors of publication	Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5305
a	11.1137 ± 0.0008 Å
b	22.3436 ± 0.0017 Å
c	19.1449 ± 0.0015 Å
α	90°
β	96.888 ± 0.001°
γ	90°
Cell volume	4719.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179542 (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 4/50/11.	4501196.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501196.cif
34803	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501195, 4501196, 4501197, 4501198 via cif-deposit CGI script.	4501196.cif