Crystallography Open Database

Information card for entry 4324378

Preview

Coordinates	4324378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H58 N26 Ni4 O10
Calculated formula	C60 H38 N26 Ni4 O10
Title of publication	Pyrazine-2-amidoxime Ni(II) Complexes: From Ferromagnetic Cluster to Antiferromagnetic Layer
Authors of publication	Guang-Yu An; Cong-Min Ji; Ai-Li Cui; Hui-Zhong Kou
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1079 - 1083
a	15.1653 ± 0.0009 Å
b	19.4484 ± 0.0008 Å
c	22.8356 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6735.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
179346 (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 4/32/43.	4324378.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324378.cif
41085	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324378 via cif-deposit CGI script.	4324378.cif