Crystallography Open Database

Information card for entry 7112183

Preview

Coordinates	7112183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cu4 O12 P2
Calculated formula	C16 H14 Cu4 O12 P2
Title of publication	Polar metal phosphonate containing unusual mu/4-OH bridged double chains showing canted antiferromagnetism with large coercivity
Authors of publication	Xiao-Jing Yang; Song-Song Bao; Min Ren; Norihisa Hoshino; Tomoyuki Akutagawa; Li-Min Zheng
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3979
a	9.917 ± 0.006 Å
b	7.45 ± 0.004 Å
c	28.101 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	2076 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112183.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112183.cif
108109	2014-03-27	cif/ Adding structures of 7112182, 7112183 via cif-deposit CGI script.	7112183.cif