Crystallography Open Database

Information card for entry 7212594

Preview

Coordinates	7212594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 O16 Pr2
Calculated formula	C46 H46 O16 Pr2
Title of publication	[Ln2(PhCO2)6(MeOH)4] (Ln = Pr, Nd, Gd): the effect of lanthanide radius on network dimensionality
Authors of publication	Nayak, Sanjit; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3008
a	10.2557 ± 0.0012 Å
b	14.7071 ± 0.0019 Å
c	14.8141 ± 0.0018 Å
α	90.327 ± 0.01°
β	90.161 ± 0.01°
γ	97.787 ± 0.01°
Cell volume	2213.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
180456 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25.	7212594.cif
93142	2014-01-12	cif/ Adding structures of 7212594 via cif-deposit CGI script.	7212594.cif