Crystallography Open Database

Information card for entry 4510713

Preview

Coordinates	4510713.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Mn2(tpbn)(adc)2(H2O)2].2CH3OH}n
Formula	C38 H44 Mn2 N6 O12
Calculated formula	C38 H44 Mn2 N6 O12
Title of publication	Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures
Authors of publication	Khullar, Sadhika; Mandal, Sanjay K.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	3116
a	10.0974 ± 0.0002 Å
b	10.2305 ± 0.0002 Å
c	11.0096 ± 0.0002 Å
α	64.965 ± 0.001°
β	78.8 ± 0.001°
γ	78.323 ± 0.001°
Cell volume	1001.55 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179654 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510713.cif
113127	2014-05-08	cif/ Adding structures of 4510713, 4510714, 4510715, 4510716, 4510717 via cif-deposit CGI script.	4510713.cif