Crystallography Open Database

Information card for entry 7039535

Preview

Coordinates	7039535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 B8 Nd2 O26
Calculated formula	C24 H14 B8 Nd2 O26
Title of publication	Two novel pillared-layer lanthanide borates built by Ln@B12O28/29 ring clusters and dicarboxylate linkers (Ln = Pr, Nd).
Authors of publication	Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	29
Pages of publication	11628 - 11632
a	12.6812 ± 0.0006 Å
b	22.5579 ± 0.0007 Å
c	12.7742 ± 0.0005 Å
α	90°
β	119.103 ± 0.006°
γ	90°
Cell volume	3192.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
185481 (current)	2016-08-07	cif/ Updating files of 7039534, 7039535 Original log message: Adding full bibliography for 7039534--7039535.cif.	7039535.cif
183514	2016-06-16	cif/ Adding structures of 7039534, 7039535 via cif-deposit CGI script.	7039535.cif