Crystallography Open Database

Information card for entry 4314918

Preview

Coordinates	4314918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H104 B2 Cl2 Fe2 N26 Ni2 O30 S8
Calculated formula	C104 H104 B2 Cl2 Fe2 N26 Ni2 O30 S8
Title of publication	Syntheses, Structures, and Magnetic Properties of Heterobimetallic Clusters with Tricyanometalate and π-Conjugated Ligands Containing 1,3-Dithiol-2-ylidene
Authors of publication	Yan-Hong Peng; Yi-Fei Meng; Liang Hu; Quan-Xiu Li; Yi-Zhi Li; Jing-Lin Zuo; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1905 - 1912
a	14.0971 ± 0.0014 Å
b	16.2489 ± 0.0017 Å
c	17.8026 ± 0.0018 Å
α	66.554 ± 0.002°
β	80.021 ± 0.003°
γ	86.64 ± 0.002°
Cell volume	3684.4 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179229 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49.	4314918.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314918.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314918.cif
8061	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314918 via cif-deposit CGI script.	4314918.cif