Crystallography Open Database

Information card for entry 4503612

Preview

Coordinates	4503612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 Br Mn N11 O
Calculated formula	C13 H11 Br Mn N11 O
Title of publication	Three Azido-Bridged Mn(II) Complexes Based on Open-Chain Diazine Schiff-base Ligands: Crystal Structures and Magnetic Properties
Authors of publication	Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	9
Pages of publication	3295
a	7.4368 ± 0.0002 Å
b	10.5408 ± 0.0003 Å
c	13.3439 ± 0.0003 Å
α	106.984 ± 0.0012°
β	93.0774 ± 0.0012°
γ	109.872 ± 0.0012°
Cell volume	927.12 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
179571 (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 4/50/36.	4503612.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503612.cif
41662	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503612, 4503613, 4503614 via cif-deposit CGI script.	4503612.cif