Crystallography Open Database

Information card for entry 4500246

Preview

Coordinates	4500246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H38 Fe N10 Ni O2
Calculated formula	C21 H38 Fe N10 Ni O2
Title of publication	Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties
Authors of publication	Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	302
a	10.2272 ± 0.0006 Å
b	10.2272 ± 0.0006 Å
c	23.3035 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	2110.9 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179533 (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 4/50/02.	4500246.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500246.cif
34415	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500242, 4500243, 4500244, 4500245, 4500246 via cif-deposit CGI script.	4500246.cif