Crystallography Open Database

Information card for entry 4327312

Preview

Coordinates	4327312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Br2 Mn N5 O2
Calculated formula	C16 H12 Br2 Mn N5 O2
Title of publication	Coexistence of Spin Canting and Metamagnetism in a One-Dimensional Mn(III) Complex Bridged by a Single End-to-End Azide
Authors of publication	Hyun Hee Ko; Jeong Hak Lim; Hyoung Chan Kim; Chang Seop Hong
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	8847 - 8849
a	11.5082 ± 0.0002 Å
b	11.2664 ± 0.0002 Å
c	27.3565 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3546.93 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327312.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327312.cif
61028	2012-06-20	cif/ Adding structures of 4327312 via cif-deposit CGI script.	4327312.cif