Crystallography Open Database

Information card for entry 4507813

Preview

Coordinates	4507813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H73 Cu6 N12 O56 P5 W12
Calculated formula	C76 H62 Cu6 N12 O56 P5 W12
Title of publication	Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures
Authors of publication	Tripuramallu, Bharat Kumar; Das, Samar K.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2426
a	12.7841 ± 0.0017 Å
b	13.3928 ± 0.0018 Å
c	17.908 ± 0.002 Å
α	77.941 ± 0.002°
β	79.059 ± 0.002°
γ	66.865 ± 0.002°
Cell volume	2737.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
179614 (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 4/50/78.	4507813.cif
87091	2013-07-14	cif/ Adding structures of 4507813, 4507814 via cif-deposit CGI script.	4507813.cif