Crystallography Open Database

Information card for entry 4503570

Preview

Coordinates	4503570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H44 N2 O36 P6 Zn9
Calculated formula	C51.9992 H43.9998 N2 O36.0002 P6 Zn9
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	13.4702 ± 0.001 Å
b	13.4702 ± 0.001 Å
c	31.214 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	4904.9 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0592
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4503570.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503570.cif
41637	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503570 via cif-deposit CGI script.	4503570.cif