Crystallography Open Database

Information card for entry 4340480

Preview

Coordinates	4340480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H84 Mn3 N15 O6
Calculated formula	C93 H84 Mn3 N15 O6
Title of publication	Synthesis, Structures, and Magnetic Properties of End-to-End Azide-Bridged Manganese(III) Chains: Elucidation of Direct Magnetostructural Correlation.
Authors of publication	Song, Jeong Hwa; Lim, Kwang Soo; Ryu, Dae Won; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	7936
a	13.4912 ± 0.0003 Å
b	18.9024 ± 0.0005 Å
c	31.0832 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7926.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179507 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04.	4340480.cif
121180	2014-08-05	cif/ Updating files of 4340479, 4340480 Original log message: Adding full bibliography for 4340479--4340480.cif.	4340480.cif
120562	2014-07-19	cif/ Adding structures of 4340479, 4340480 via cif-deposit CGI script.	4340480.cif