Crystallography Open Database

Information card for entry 4503571

Preview

Coordinates	4503571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 N2 O18 P3 Zn4
Calculated formula	C27 H31 N2 O18 P3 Zn4
Title of publication	Zinc 4-Carboxyphenylphosphonates with Pillared Layered Framework Structures Containing Large 12-Membered Rings Built Up from Tetranuclear Zn4Clusters and CPO3Linkages
Authors of publication	Li, Jin-Tang; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Zheng, Li-Min
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	8
Pages of publication	2950
a	13.3374 ± 0.001 Å
b	13.3374 ± 0.001 Å
c	31.652 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	4876.1 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503571.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503571.cif
41638	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503571 via cif-deposit CGI script.	4503571.cif