Crystallography Open Database

Information card for entry 7221758

Preview

Coordinates	7221758.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	H[Na6(H2O)12Pr2(dipic)6(NO3)]?18H2O
Formula	C42 H79 N7 Na6 O57 Pr2
Calculated formula	C42 H18 N7 Na6 O57 Pr2
Title of publication	Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers
Authors of publication	Elahi, Syed Meheboob; Rajasekharan, M. V.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	37
Pages of publication	7191
a	15.4376 ± 0.0016 Å
b	15.4376 ± 0.0016 Å
c	56.468 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	11654 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.1999
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
171066 (current)	2015-12-09	cif/ Updating files of 7221757, 7221758, 7221759, 7221760 Original log message: Adding full bibliography for 7221757--7221760.cif.	7221758.cif
153327	2015-08-11	cif/ Adding structures of 7221757, 7221758, 7221759, 7221760 via cif-deposit CGI script.	7221758.cif