Crystallography Open Database

Information card for entry 4341642

Preview

Coordinates	4341642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H12 La N7 O33 Pb8
Calculated formula	La N7 O33 Pb8
SMILES	[Pb]12[OH]3[Pb]456[OH]7[Pb]8([OH]9[Pb]7[OH]4[La]47%109([OH]9[Pb]%11([OH]%12[Pb]([OH]4[Pb]9%12ON(=O)=O)[OH]7%11)ON(=O)=O)([OH2])([OH]1[Pb]3[OH]%10)[O]258)ON(=O)=[O]6.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect.
Authors of publication	Wang, Genxiang; Luo, Min; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141111081701007
a	12.1152 ± 0.0011 Å
b	29.1414 ± 0.0018 Å
c	9.7545 ± 0.0008 Å
α	90°
β	111.044 ± 0.004°
γ	90°
Cell volume	3214.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
176810 (current)	2016-02-21	cif/4 Fixing Z values and formulae	4341642.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341642.cif
127384	2014-11-16	cif/ Adding structures of 4341642 via cif-deposit CGI script.	4341642.cif