Crystallography Open Database

Information card for entry 7055676

Preview

Coordinates	7055676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H18 Ca Cl2 N6 O24 Pb6
Calculated formula	C42 H18 Ca Cl2 N6 O24 Pb6
SMILES	C(=O)([O-])c1cccc(C(=O)[O-])n1.[Pb+2].[Ca+2].[O-]C(=O)c1cccc(C(=O)[O-])n1.[Pb+2].[O-]C(=O)c1cccc(C(=O)[O-])n1.[Pb+2].[Cl-].C(=O)([O-])c1cccc(n1)C(=O)[O-].[Pb+2].C(=O)([O-])c1cccc(n1)C(=O)[O-].[Pb+2].C(=O)([O-])c1cccc(n1)C(=O)[O-].[Pb+2].[Cl-]
Title of publication	Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties
Authors of publication	Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7587
a	12.9099 ± 0.0017 Å
b	12.9099 ± 0.0017 Å
c	25.375 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	3662.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.0984
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
186471 (current)	2016-09-10	cif/ Updating files of 7055675, 7055676, 7055677 Original log message: Adding full bibliography for 7055675--7055677.cif.	7055676.cif
184212	2016-07-05	cif/ Adding structures of 7055675, 7055676, 7055677 via cif-deposit CGI script.	7055676.cif