Crystallography Open Database

Information card for entry 4505338

Preview

Coordinates	4505338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C312 H368 Cl16 Mn8 N48 O16
Calculated formula	C39 H42 Cl2 Mn N6 O2
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	16.571 ± 0.003 Å
b	26.888 ± 0.005 Å
c	17.525 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7808 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.2683
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	0.856
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
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.	4505338.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505338.cif
51394	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505338, 4505339 via cif-deposit CGI script.	4505338.cif