Crystallography Open Database

Information card for entry 4329117

Preview

Coordinates	4329117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Mn2 N10 O4
Calculated formula	C22 H32 Mn2 N10 O4
SMILES	N(=N#N)[Mn]123(Oc4ccccc4C=[N]1CC[NH]2C)[O](C)[Mn]12(N=N#N)([N](=Cc4c(cccc4)O2)CC[NH]1C)[O]3C
Title of publication	A Ferromagnetic Methoxido-Bridged Mn(III) Dimer and a Spin-Canted Metamagnetic μ1,3-Azido-Bridged Chain
Authors of publication	Subrata Naiya; Saptarshi Biswas; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5332 - 5341
a	9.036 ± 0.005 Å
b	11.59 ± 0.014 Å
c	13.339 ± 0.015 Å
α	90 ± 0.13°
β	96.52 ± 0.1°
γ	90 ± 0.08°
Cell volume	1388 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1338
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	0.749
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
179394 (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 4/32/91.	4329117.cif
78157	2013-04-01	cif/ Adding structures of 4329117 via cif-deposit CGI script.	4329117.cif