Crystallography Open Database

Information card for entry 4510717

Preview

Coordinates	4510717.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mn2(tppn)(H2O)6](adc)2.3H2O
Formula	C35 H48 Mn2 N6 O17
Calculated formula	C35 H45 Mn2 N6 O17
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	9.462 ± 0.003 Å
b	17.3 ± 0.004 Å
c	26.001 ± 0.007 Å
α	90°
β	94.851 ± 0.006°
γ	90°
Cell volume	4241 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
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.	4510717.cif
113127	2014-05-08	cif/ Adding structures of 4510713, 4510714, 4510715, 4510716, 4510717 via cif-deposit CGI script.	4510717.cif