Crystallography Open Database

Information card for entry 4312199

Preview

Structure parameters

Formula	C17 H13 Br2 Mn N4 O2
Calculated formula	C17 H13 Br2 Mn N4 O2
Title of publication	An Antiferromagnetic Mn(III) Chain Bridged by Hydrogencyanamide: [MnIII(5-Brsalen)(μ1,3-NCNH)]n
Authors of publication	Mei Yuan; Song Gao; Hao-Ling Sun; Gang Su
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8221 - 8223
a	13.3699 ± 0.0004 Å
b	11.7277 ± 0.0004 Å
c	11.5495 ± 0.0003 Å
α	90°
β	105.978 ± 0.002°
γ	90°
Cell volume	1740.98 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4312199.cif
179160	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/21.	4312199.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312199.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312199.cif
3704	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312199 via cif-deposit CGI script.	4312199.cif