Crystallography Open Database

Information card for entry 4001327

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Coordinates	4001327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H156 Co12 O114 Zn8
Calculated formula	C128 H120 Co12 O114 Zn8
Title of publication	Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation
Authors of publication	Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	9
Pages of publication	2162
a	6.9872 ± 0.0014 Å
b	26.781 ± 0.005 Å
c	21.822 ± 0.004 Å
α	90°
β	92.1 ± 0.03°
γ	90°
Cell volume	4080.7 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001327.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001327.cif
45183	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001327 via cif-deposit CGI script.	4001327.cif