Crystallography Open Database

Information card for entry 2238830

Preview

Coordinates	2238830.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diaqua[μ~2~-4-(4-carboxyphenoxy)benzoato](μ~2~-4,4'-oxydibenzoato)praseodymium(III)] monohydrate]
Formula	C28 H23 O13 Pr
Calculated formula	C28 H23 O13 Pr
Title of publication	<i>catena</i>-Poly[[diaqua[μ~2~-4-(4-carboxyphenoxy)benzoato](μ~2~-4,4'-oxydibenzoato)praseodymium(III)] monohydrate]
Authors of publication	Li, Ping; Su, Duo-Meng; Zheng, Chang-Ge
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m586 - m587
a	27.397 ± 0.0017 Å
b	9.5764 ± 0.0006 Å
c	21.6754 ± 0.0014 Å
α	90°
β	97.433 ± 0.001°
γ	90°
Cell volume	5639.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238830.cif
91255	2013-12-09	cif/ Adding structures of 2238830 via cif-deposit CGI script.	2238830.cif