Crystallography Open Database

Information card for entry 4500381

Preview

Coordinates	4500381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H32 Mn N10 O14 S2
Calculated formula	C55 H32 Mn N10 O14 S2
Title of publication	Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands
Authors of publication	Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2763
a	28.6655 ± 0.0009 Å
b	13.4822 ± 0.0005 Å
c	15.6206 ± 0.0006 Å
α	90°
β	104.564 ± 0.004°
γ	90°
Cell volume	5843 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1201
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.2275
Weighted residual factors for all reflections included in the refinement	0.2611
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179534 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/03.	4500381.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500381.cif
34474	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500379, 4500380, 4500381, 4500382, 4500383, 4500384, 4500385, 4500386, 4500387 via cif-deposit CGI script.	4500381.cif