Crystallography Open Database

Information card for entry 7029035

Preview

Coordinates	7029035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C280 H200 Mn19 O80
Calculated formula	C280 H200 Mn19 O80
Title of publication	Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.
Authors of publication	Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	8
Pages of publication	3048 - 3051
a	38.8251 ± 0.0002 Å
b	17.6702 ± 0.0002 Å
c	19.4001 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	13309.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
179996 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/90.	7029035.cif
105490	2014-03-12	cif/ Adding structures of 7029035, 7029036, 7029037, 7029038 via cif-deposit CGI script.	7029035.cif