Crystallography Open Database

Information card for entry 4328042

Preview

Coordinates	4328042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H80 Cl4 Mn4 N4 O18
Calculated formula	C70 H64 Cl4 Mn4 N4 O18
Title of publication	Anion-Controlled Assembly of Four Manganese Ions: Structural, Magnetic, and Electrochemical Properties of Tetramanganese Complexes Stabilized by Xanthene-Bridged Schiff Base Ligands
Authors of publication	Masakazu Hirotsu; Yuu Shimizu; Naoto Kuwamura; Rika Tanaka; Isamu Kinoshita; Ryoichi Takada; Yoshio Teki; Hideki Hashimoto
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	766 - 768
a	13.72 ± 0.0019 Å
b	33.82 ± 0.005 Å
c	15.37 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7131.8 ± 1.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1677
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179383 (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 4/32/80.	4328042.cif
76986	2013-03-22	cif/ Adding structures of 4328042 via cif-deposit CGI script.	4328042.cif