Crystallography Open Database

Information card for entry 7030867

Preview

Coordinates	7030867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H75 Cl13 Fe N10 O31 Pr4 Sb12
Calculated formula	C81 H69 Cl13 Fe N10 O31 Pr4 Sb12
Title of publication	Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.
Authors of publication	Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	26
Pages of publication	10064 - 10073
a	12.8307 ± 0.0003 Å
b	27.0624 ± 0.0009 Å
c	32.2935 ± 0.0007 Å
α	90°
β	95.917 ± 0.002°
γ	90°
Cell volume	11153.5 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
180014 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/08.	7030867.cif
119445	2014-07-07	cif/ Updating files of 7030865, 7030866, 7030867, 7030868, 7030869 Original log message: Adding full bibliography for 7030865--7030869.cif.	7030867.cif
113324	2014-05-10	cif/ Adding structures of 7030865, 7030866, 7030867, 7030868, 7030869 via cif-deposit CGI script.	7030867.cif