Crystallography Open Database

Information card for entry 4501977

4501976 << 4501977 >> 4501978

Preview

Coordinates	4501977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H41 Cl Cu Fe Mn N11 O9
Calculated formula	C44 H39 Cl Cu Fe Mn N11 O9
Title of publication	Synthesis, Crystal Structures, and Magnetic Properties of One-Dimensional Mixed Cyanide- and Phenolate-Bridged Heterotrimetallic Complexes
Authors of publication	Wang, Hailong; Zhang, Li-Fang; Ni, Zhong-Hai; Zhong, Wei-Feng; Tian, Lai-Jin; Jiang, Jianzhuang
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4231
a	13.518 ± 0.003 Å
b	20.275 ± 0.004 Å
c	16.838 ± 0.004 Å
α	90°
β	92.831 ± 0.003°
γ	90°
Cell volume	4609.3 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.164
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2345
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179550 (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 4/50/19.	4501977.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501977.cif
36188	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501977, 4501978 via cif-deposit CGI script.	4501977.cif